pax_global_header00006660000000000000000000000064151631724070014520gustar00rootroot0000000000000052 comment=d41dbf36dd92fcf275f25bb5f3ad4063a838ed3a OpenChemistry-avogadrolibs-ceb949f/000077500000000000000000000000001516317240700174725ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.clang-format000066400000000000000000000053401516317240700220470ustar00rootroot00000000000000--- # This was based on the Mozilla style from clang-format 3.8. # Effectively creating a snapshot to produce more consistent results with later # versions of clang-format. Language: Cpp AccessModifierOffset: -2 AlignAfterOpenBracket: Align AlignConsecutiveAssignments: false AlignConsecutiveDeclarations: false AlignEscapedNewlinesLeft: false AlignOperands: true AlignTrailingComments: true AllowAllParametersOfDeclarationOnNextLine: false AllowShortBlocksOnASingleLine: Empty AllowShortCaseLabelsOnASingleLine: false AllowShortFunctionsOnASingleLine: Inline AllowShortIfStatementsOnASingleLine: false AllowShortLoopsOnASingleLine: false AlwaysBreakAfterDefinitionReturnType: None AlwaysBreakAfterReturnType: None AlwaysBreakBeforeMultilineStrings: false AlwaysBreakTemplateDeclarations: true BinPackArguments: true BinPackParameters: true BraceWrapping: AfterClass: true AfterControlStatement: false AfterEnum: true AfterFunction: true AfterNamespace: false AfterObjCDeclaration: false AfterStruct: true AfterUnion: true BeforeCatch: false BeforeElse: false IndentBraces: false BreakBeforeBinaryOperators: None BreakBeforeBraces: Mozilla BreakBeforeTernaryOperators: true BreakConstructorInitializersBeforeComma: false ColumnLimit: 80 CommentPragmas: '^ IWYU pragma:' ConstructorInitializerAllOnOneLineOrOnePerLine: false ConstructorInitializerIndentWidth: 2 ContinuationIndentWidth: 2 Cpp11BracedListStyle: false DerivePointerAlignment: false DisableFormat: false ExperimentalAutoDetectBinPacking: false ForEachMacros: [ foreach, Q_FOREACH, BOOST_FOREACH ] IncludeCategories: - Regex: '^"(llvm|llvm-c|clang|clang-c)/' Priority: 2 - Regex: '^(<|"(gtest|isl|json)/)' Priority: 3 - Regex: '.*' Priority: 1 IndentCaseLabels: true IndentWidth: 2 IndentWrappedFunctionNames: false KeepEmptyLinesAtTheStartOfBlocks: true MacroBlockBegin: '' MacroBlockEnd: '' MaxEmptyLinesToKeep: 1 NamespaceIndentation: None ObjCBlockIndentWidth: 2 ObjCSpaceAfterProperty: true ObjCSpaceBeforeProtocolList: false PenaltyBreakBeforeFirstCallParameter: 19 PenaltyBreakComment: 300 PenaltyBreakFirstLessLess: 120 PenaltyBreakString: 1000 PenaltyExcessCharacter: 1000000 PenaltyReturnTypeOnItsOwnLine: 200 PointerAlignment: Left ReflowComments: true SortIncludes: false SpaceAfterCStyleCast: false SpaceBeforeAssignmentOperators: true SpaceBeforeParens: ControlStatements SpaceInEmptyParentheses: false SpacesBeforeTrailingComments: 1 SpacesInAngles: false SpacesInContainerLiterals: true SpacesInCStyleCastParentheses: false SpacesInParentheses: false SpacesInSquareBrackets: false Standard: Cpp11 TabWidth: 8 UseTab: Never ... OpenChemistry-avogadrolibs-ceb949f/.clang-tidy000066400000000000000000000023351516317240700215310ustar00rootroot00000000000000Checks: 'bugprone*, clang-analyzer*, cppcoreguidelines*, misc-uniqueptr-reset-release, misc-unused*, misc-redundant-expression, modernize-avoid-bind,modernize-concat-nested-namespaces, modernize-loop-convert,modernize-macro-to-enum,modernize-use-bool-literals, modernize-use-auto,modernize-use-nullptr,modernize-use-override, modernize-raw-string-literal,modernize-use-emplace,modernize-pass-by-value, modernize-use-using, performance-avoid-endl, performance-faster*, performance-for-range-copy, performance-inefficient*,performance-type-promotion*, performance-unnecessary-copy-initialization, performance-move-const-arg, readability-const-return-type, readability-container*, readability-duplicate-include, readability-delete-null-pointer, readability-qualified-auto, readability-redundant*, readability-simplify*, -cppcoreguidelines-avoid-magic-numbers, -cppcoreguidelines-owning-memory, -readability-else-after-return, -portability-restrict-system-includes, -modernize-use-trailing-return-type' FormatStyle: file OpenChemistry-avogadrolibs-ceb949f/.clang-tidy-ignore000066400000000000000000000000351516317240700230050ustar00rootroot00000000000000thirdparty/* core/graph.cpp OpenChemistry-avogadrolibs-ceb949f/.codacy.yaml000066400000000000000000000001161516317240700216740ustar00rootroot00000000000000--- engines: cppcheck: language: c++ exclude_paths: - "thirdparty/**" OpenChemistry-avogadrolibs-ceb949f/.github/000077500000000000000000000000001516317240700210325ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.github/FUNDING.yml000066400000000000000000000001721516317240700226470ustar00rootroot00000000000000# These are supported funding model platforms open_collective: avogadro # Replace with a single Open Collective username OpenChemistry-avogadrolibs-ceb949f/.github/ISSUE_TEMPLATE/000077500000000000000000000000001516317240700232155ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.github/ISSUE_TEMPLATE/bug_report.md000066400000000000000000000015311516317240700257070ustar00rootroot00000000000000--- name: Bug report about: Create a report to help us improve --- **Avogadro version: (please complete the following information from the About box):** - Avogadrolibs: (e.g. 1.90.0-316-g6d14770) - Qt: (e.g., 5.9.5) **Desktop version: (please complete the following information):** - OS: [e.g. MacOS] - Version [e.g. 10.12.4] - Compiler (if you built from source) **Describe the bug** A clear and concise description of what the bug is. **To Reproduce** Steps to reproduce the behavior: 1. Go to '...' 2. Click on '....' 3. Scroll down to '....' 4. See error **Expected behavior** A clear and concise description of what you expected to happen. **Screenshots** If applicable, add screenshots to help explain your problem. **Additional context** Add any other context about the problem here. **Please consider uploading or linking test files.** OpenChemistry-avogadrolibs-ceb949f/.github/ISSUE_TEMPLATE/feature_request.md000066400000000000000000000014251516317240700267440ustar00rootroot00000000000000--- name: Feature request about: Suggest an idea for this project --- **Is your feature request related to a problem? Please describe.** A clear and concise description of what the problem is. Ex. I wish Avogadro calculated XYQ moments to render with .. **Describe the solution you'd like** A clear and concise description of what you want to happen. Please be detailed. How might this feature work (e.g., first a window would open and you'd click to …) **Describe alternatives you've considered** A clear and concise description of any alternative solutions or features you've considered. **Additional context** Add any other context or screenshots about the feature request here. Please consider opening a topic on https://discuss.avogadro.cc/ to allow further public discussion OpenChemistry-avogadrolibs-ceb949f/.github/PULL_REQUEST_TEMPLATE000066400000000000000000000026151516317240700242400ustar00rootroot00000000000000Developer Certificate of Origin Version 1.1 Copyright (C) 2004, 2006 The Linux Foundation and its contributors. 1 Letterman Drive Suite D4700 San Francisco, CA, 94129 Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. Developer's Certificate of Origin 1.1 By making a contribution to this project, I certify that: (a) The contribution was created in whole or in part by me and I have the right to submit it under the open source license indicated in the file; or (b) The contribution is based upon previous work that, to the best of my knowledge, is covered under an appropriate open source license and I have the right under that license to submit that work with modifications, whether created in whole or in part by me, under the same open source license (unless I am permitted to submit under a different license), as indicated in the file; or (c) The contribution was provided directly to me by some other person who certified (a), (b) or (c) and I have not modified it. (d) I understand and agree that this project and the contribution are public and that a record of the contribution (including all personal information I submit with it, including my sign-off) is maintained indefinitely and may be redistributed consistent with this project or the open source license(s) involved. OpenChemistry-avogadrolibs-ceb949f/.github/actions/000077500000000000000000000000001516317240700224725ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.github/actions/checkout-repositories/000077500000000000000000000000001516317240700270245ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.github/actions/checkout-repositories/action.yml000066400000000000000000000037431516317240700310330ustar00rootroot00000000000000name: 'Checkout Avogadro Repositories' description: 'Checks out all required Avogadro repositories' inputs: checkout-submodules: description: 'Whether to checkout submodules for openchemistry' required: false default: 'recursive' checkout-avogadrolibs-path: description: 'Path for avogadrolibs checkout' required: false default: 'openchemistry/avogadrolibs' runs: using: "composite" steps: - name: Checkout openchemistry uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/openchemistry submodules: ${{ inputs.checkout-submodules }} path: openchemistry - name: Checkout avogadroapp uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/avogadroapp path: openchemistry/avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: path: openchemistry/avogadrolibs - name: Checkout i18n uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/avogadro-i18n path: openchemistry/avogadro-i18n - name: Checkout avogadrogenerators uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/avogenerators path: openchemistry/avogenerators - name: Checkout crystals uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/crystals path: openchemistry/crystals - name: Checkout fragments uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/fragments path: openchemistry/fragments - name: Checkout molecules uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/molecules path: openchemistry/molecules OpenChemistry-avogadrolibs-ceb949f/.github/actions/upload-release/000077500000000000000000000000001516317240700253745ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.github/actions/upload-release/action.yml000066400000000000000000000034161516317240700274000ustar00rootroot00000000000000# Uploads build artifacts to a tagged or continuous GitHub release # Inspired by GH cli docs https://cli.github.com/manual/gh_release name: "Upload to Release or Continuous" description: "Uploads build artifacts to a tagged or continuous GitHub release" inputs: artifacts: description: "Path or glob to artifacts to upload" required: true release_name: description: "Release name for non-tag builds (default: continuous)" required: false default: "continuous" runs: using: "composite" steps: - name: Determine release tag id: tag shell: bash run: | if [[ "${GITHUB_REF}" == refs/tags/* ]]; then echo "release_tag=${GITHUB_REF#refs/tags/}" >> $GITHUB_OUTPUT else # i.e. continuous echo "release_tag=${{ inputs.release_name }}" >> $GITHUB_OUTPUT fi - name: Create or update release shell: bash run: | tag="${{ steps.tag.outputs.release_tag }}" build_date=$(date -u +"%Y-%m-%d %H:%M UTC") notes="Automated build on ${build_date} from ${GITHUB_SHA}" if gh release view "$tag" &>/dev/null; then # only update the notes for the "continous" tag # so we don't break the release notes for other tags if [[ "$tag" == "${{ inputs.release_name }}" ]]; then echo "Updating existing release: $tag" gh release edit "$tag" --notes "$notes" fi else echo "Creating release: $tag" gh release create "$tag" --prerelease --title "$tag" --notes "$notes" fi - name: Upload artifacts shell: bash run: | # --clobber will overwrite existing artifacts gh release upload "${{ steps.tag.outputs.release_tag }}" "${{ inputs.artifacts }}" --clobber OpenChemistry-avogadrolibs-ceb949f/.github/codeql-config.yml000066400000000000000000000002531516317240700242670ustar00rootroot00000000000000query-filters: - exclude: id: cpp/integer-multiplication-cast-to-long paths-ignore: - '**/moc_*.*' - '**/ui_*.h' - 'thirdparty/**/*.*' - 'utilities/**/*.*'OpenChemistry-avogadrolibs-ceb949f/.github/config.yml000066400000000000000000000017701516317240700230270ustar00rootroot00000000000000# Configuration for welcome - https://github.com/behaviorbot/welcome # Configuration for new-issue-welcome - https://github.com/behaviorbot/new-issue-welcome # Comment to be posted to on first time issues newIssueWelcomeComment: > Thanks for opening your first issue here! Please try to include example files and screenshots if possible. If you're looking for support, please post on our forum: https://discuss.avogadro.cc/ # Configuration for new-pr-welcome - https://github.com/behaviorbot/new-pr-welcome # Comment to be posted to on PRs from first time contributors in your repository newPRWelcomeComment: > Thanks for opening this pull request! Please check out our contributing guidelines and check for the automated tests. # Configuration for first-pr-merge - https://github.com/behaviorbot/first-pr-merge # Comment to be posted to on pull requests merged by a first time user firstPRMergeComment: > Congrats on merging your first pull request! 🎉 Thanks for making Avogadro better for everyone! OpenChemistry-avogadrolibs-ceb949f/.github/dependabot.yml000066400000000000000000000005601516317240700236630ustar00rootroot00000000000000# Set update schedule for GitHub Actions version: 2 updates: - package-ecosystem: "github-actions" directories: - "/.github/**/*" schedule: # Check for updates to GitHub Actions every weekday interval: "daily" - package-ecosystem: "pre-commit" directories: - "/.pre-commit-config.yaml" schedule: interval: "weekly" OpenChemistry-avogadrolibs-ceb949f/.github/release-drafter.yml000066400000000000000000000023461516317240700246270ustar00rootroot00000000000000name-template: 'Avogadro $RESOLVED_VERSION' tag-template: '$RESOLVED_VERSION' categories: - title: '✨ Features' labels: - 'feature' - 'enhancement' - title: '🐛 Bug Fixes' labels: - 'crash' - 'fix' - 'bugfix' - 'bug' - title: '🚀 Performance Improvements' labels: - 'speed' - title: '🧰 Maintenance' labels: - 'chore' - 'build' - title: '📚 Translations' labels: - 'i18n' autolabeler: - label: 'build' branch: - '/build\/.+/' title: - '/build/i' - label: 'bug' branch: - '/fix\/.+/' title: - '/fix/i' - label: 'i18n' branch: - '/weblate\/.+/' title: - '/Hosted Weblate/i' - label: 'i18n' title: - '/Automated translation updates/i' exclude-labels: - 'dependencies' change-template: '- $TITLE @$AUTHOR (#$NUMBER)' change-title-escapes: '\<*_&' # You can add # and @ to disable mentions, and add ` to disable code blocks. version-resolver: major: labels: - 'major' minor: labels: - 'minor' patch: labels: - 'patch' default: minor template: | ## Changes $CHANGES ## Credits Thanks to many contributors, including: $CONTRIBUTORS OpenChemistry-avogadrolibs-ceb949f/.github/workflows/000077500000000000000000000000001516317240700230675ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/.github/workflows/add_artifact_urls.yml000066400000000000000000000012341516317240700272640ustar00rootroot00000000000000name: add artifact links to pull request on: workflow_run: workflows: ['Qt5 Build Matrix'] types: [completed] jobs: artifacts-url-comments: name: add artifact links to pull request job runs-on: windows-latest steps: - name: add artifact links to pull request step uses: tonyhallett/artifacts-url-comments@0965ff1a7ae03c5c1644d3c30f956effea4e05ef # v1.1.0 env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} with: prefix: Here are the build results suffix: Artifacts will only be retained for 90 days. format: name addTo: pull continue-on-error: true OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_flatpak.yml000066400000000000000000000070431516317240700264170ustar00rootroot00000000000000name: Build Flatpak on: [push, pull_request, workflow_dispatch] jobs: flatpak: name: "Flatpak" runs-on: ubuntu-latest steps: - name: Install dependencies run: sudo apt update -qq && sudo apt install -y -qq flatpak - name: Configure flatpak run: flatpak remote-add --if-not-exists --user flathub https://dl.flathub.org/repo/flathub.flatpakrepo - name: Install flatpak-builder run: flatpak --user install --or-update --noninteractive flathub org.flatpak.Builder - name: Configure git run: git config --global protocol.file.allow always # Have to do this because for a while git's handling of submodules was broken # See https://github.com/flatpak/flatpak-builder/issues/495 - name: Checkout openchemistry uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/openchemistry submodules: false path: openchemistry - name: Checkout avogadroapp uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/avogadroapp path: openchemistry/avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: path: openchemistry/avogadrolibs - name: Checkout i18n uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/avogadro-i18n path: openchemistry/avogadro-i18n - name: Checkout avogadrogenerators uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/avogenerators path: openchemistry/avogadrogenerators - name: Checkout crystals uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/crystals path: openchemistry/crystals - name: Checkout fragments uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/fragments path: openchemistry/fragments - name: Checkout molecules uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: openchemistry/molecules path: openchemistry/molecules - name: Checkout Flathub shared-modules uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: repository: flathub/shared-modules path: shared-modules - name: Set up tmate session if: failure() uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 timeout-minutes: 60 - name: Move manifest run: mv openchemistry/avogadroapp/flatpak/org.openchemistry.Avogadro2.yaml ./ - name: Build with flatpak-builder run: dbus-run-session flatpak run org.flatpak.Builder --force-clean --user --install-deps-from=flathub --arch=x86_64 --default-branch=test --repo=repo builddir org.openchemistry.Avogadro2.yaml - name: Create bundle run: flatpak build-bundle repo Avogadro2.flatpak org.openchemistry.Avogadro2 test - name: Upload bundle uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: Avogadro2.flatpak - name: Cleanup if: ${{ always() }} # To ensure this step runs even when earlier steps fail shell: bash run: | ls -la ./ rm -rf ./* || true rm -rf ./.??* || true ls -la ./ OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_linux.yml000066400000000000000000000150001516317240700261240ustar00rootroot00000000000000name: Linux Build Matrix # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 6.8.3 FEATURES: -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DQT_VERSION=6 concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Ubuntu x86", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "Release", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE", } - { name: "AppImage x86", artifact: "Avogadro2-x86_64.AppImage", os: ubuntu-22.04, cc: "gcc", cxx: "g++", build_type: "Release", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE -DINSTALL_BUNDLE_FILES=ON -DUSE_YAEHMOP=ON", } - { name: "Ubuntu Address Sanitizer", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "asan", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", } - { name: "Ubuntu Undefined Behavior Sanitizer", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "ubsan", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", } - { name: "Ubuntu Leak Sanitizer", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "lsan", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", } - { name: "Ubuntu Thread Sanitizer", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "tsan", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", } steps: - name: Checkout workflow repository uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Install Dependencies run: | sudo apt-get -qq update sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install libfuse2 - name: Install Qt uses: jurplel/install-qt-action@d325aaf2a8baeeda41ad0b5d39f84a6af9bcf005 # v4.3.0 with: cache: true version: ${{ env.QT_VERSION }} - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Run tests if: (matrix.config.build_type != 'Release') shell: cmake -P {0} run: | include(ProcessorCount) ProcessorCount(N) set(ENV{CTEST_OUTPUT_ON_FAILURE} "ON") set(ENV{ASAN_OPTIONS} "new_delete_type_mismatch=0") execute_process( COMMAND ctest -j ${N} WORKING_DIRECTORY ${{ runner.workspace }}/build/avogadrolibs RESULT_VARIABLE result ) if (NOT result EQUAL 0) message(FATAL_ERROR "Running tests failed!") endif() - name: Package AppImage if: matrix.config.name == 'AppImage x86' shell: bash run: | mkdir appdir mv prefix appdir/usr export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:appdir/usr/lib wget -c -nv "https://github.com/linuxdeploy/linuxdeploy/releases/download/continuous/linuxdeploy-x86_64.AppImage" wget -c -nv "https://github.com/linuxdeploy/linuxdeploy-plugin-qt/releases/download/continuous/linuxdeploy-plugin-qt-x86_64.AppImage" wget -c -nv "https://github.com/AppImage/AppImageKit/releases/download/continuous/appimagetool-x86_64.AppImage" chmod a+x *.AppImage # get pixi # wget -c -nv "https://github.com/prefix-dev/pixi/releases/latest/download/pixi-x86_64-unknown-linux-musl" # mv pixi-x86_64-unknown-linux-musl appdir/usr/bin/pixi # Add Wayland support export EXTRA_PLATFORM_PLUGINS="libqwayland-egl.so;libqwayland-generic.so" export EXTRA_QT_MODULES=waylandcompositor # Though it is not great security practice, bundle libssl and libcrypto ./linuxdeploy-x86_64.AppImage -d appdir/usr/share/applications/*.desktop --plugin qt --library /lib/x86_64-linux-gnu/libssl.so.3 --library /lib/x86_64-linux-gnu/libcrypto.so.3 --appdir appdir # add the custom AppRun rm appdir/AppRun cp ../avogadrolibs/openchemistry/avogadrolibs/scripts/AppImage.sh appdir/AppRun chmod a+x appdir/AppRun ./appimagetool-x86_64.AppImage appdir mv Avogadro*.AppImage avogadroapp/Avogadro2-x86_64.AppImage # for upload working-directory: ${{ runner.workspace }}/build - name: Upload if: matrix.config.artifact != 0 uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Upload release assets if: matrix.config.artifact != 0 && github.event_name == 'push' && (startsWith(github.ref, 'refs/tags/') || github.ref == 'refs/heads/master') uses: ./.github/actions/upload-release env: GH_TOKEN: ${{ github.token }} with: artifacts: "${{ runner.workspace }}/build/avogadroapp/Avogadro2*.*" - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 timeout-minutes: 60 OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_linux_arm64.yml000066400000000000000000000121141516317240700271400ustar00rootroot00000000000000name: Linux ARM64 Build Matrix # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 6.8.3 FEATURES: -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DQT_VERSION=6 concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Ubuntu ARM", artifact: "", os: ubuntu-24.04-arm, cc: "gcc", cxx: "g++", build_type: "Debug", cmake_flags: "-G Ninja -DUSE_SYSTEM_EIGEN=TRUE", } - { name: "AppImage ARM", artifact: "Avogadro2-arm64.AppImage", os: ubuntu-24.04-arm, cc: "gcc", cxx: "g++", build_type: "Release", cmake_flags: "-G Ninja -DINSTALL_BUNDLE_FILES=ON", } steps: - name: Checkout workflow repository uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Install Dependencies run: | sudo apt-get -qq update sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install libfuse2 - name: Install Qt uses: jurplel/install-qt-action@d325aaf2a8baeeda41ad0b5d39f84a6af9bcf005 # v4.3.0 with: cache: true version: ${{ env.QT_VERSION }} - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Run tests if: (matrix.config.build_type != 'Release') shell: cmake -P {0} run: | include(ProcessorCount) ProcessorCount(N) set(ENV{CTEST_OUTPUT_ON_FAILURE} "ON") set(ENV{ASAN_OPTIONS} "new_delete_type_mismatch=0") execute_process( COMMAND ctest -j ${N} WORKING_DIRECTORY ${{ runner.workspace }}/build/avogadrolibs RESULT_VARIABLE result ) if (NOT result EQUAL 0) message(FATAL_ERROR "Running tests failed!") endif() - name: Package AppImage if: matrix.config.name == 'AppImage ARM' shell: bash run: | mkdir appdir mv prefix appdir/usr export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:appdir/usr/lib wget -c -nv "https://github.com/linuxdeploy/linuxdeploy/releases/download/continuous/linuxdeploy-aarch64.AppImage" wget -c -nv "https://github.com/linuxdeploy/linuxdeploy-plugin-qt/releases/download/continuous/linuxdeploy-plugin-qt-aarch64.AppImage" wget -c -nv "https://github.com/AppImage/AppImageKit/releases/download/continuous/appimagetool-aarch64.AppImage" chmod a+x *.AppImage # get pixi # wget -c -nv "https://github.com/prefix-dev/pixi/releases/latest/download/pixi-aarch64-unknown-linux-musl" # mv pixi-aarch64-unknown-linux-musl appdir/usr/bin/pixi ./linuxdeploy-aarch64.AppImage -d appdir/usr/share/applications/*.desktop --plugin qt --library /usr/lib/aarch64-linux-gnu/libssl.so.3 --library /usr/lib/aarch64-linux-gnu/libcrypto.so.3 --appdir appdir # add the custom AppRun rm appdir/AppRun cp ../avogadrolibs/openchemistry/avogadrolibs/scripts/AppImage.sh appdir/AppRun chmod a+x appdir/AppRun ./appimagetool-aarch64.AppImage appdir mv Avogadro*.AppImage avogadroapp/Avogadro2-aarch64.AppImage # for upload working-directory: ${{ runner.workspace }}/build - name: Upload if: matrix.config.artifact != 0 uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Upload release assets if: matrix.config.artifact != 0 && github.event_name == 'push' && (startsWith(github.ref, 'refs/tags/') || github.ref == 'refs/heads/master') uses: ./.github/actions/upload-release env: GH_TOKEN: ${{ github.token }} with: artifacts: "${{ runner.workspace }}/build/avogadroapp/Avogadro2*.*" - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 timeout-minutes: 60 OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_mac.yml000066400000000000000000000331441516317240700255360ustar00rootroot00000000000000name: Mac Build Matrix # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 6.10.1 # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems # we set MACOSX_DEPLOYMENT_TARGET later MACOS_TARGET: 14 FEATURES: -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DQT_VERSION=6 -DUSE_YAEHMOP=ON # CACHE: -DCMAKE_C_COMPILER_LAUNCHER=sccache -DCMAKE_CXX_COMPILER_LAUNCHER=sccache # SCCACHE_GHA_ENABLED: "true" jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "macOS Qt6 ARM", artifact: "macOS-arm64", os: macos-15, cc: "clang", cxx: "clang++", build_type: "Release", cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES=arm64", } - { name: "macOS Qt6 Intel", artifact: "macOS-intel", os: macos-15-intel, cc: "clang", cxx: "clang++", build_type: "Release", cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES=x86_64", } steps: - name: Checkout workflow repository uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Install Dependencies (macOS) if: runner.os == 'macOS' run: | brew install eigen glew pixi create-dmg - name: Install Qt uses: jurplel/install-qt-action@d325aaf2a8baeeda41ad0b5d39f84a6af9bcf005 # v4.3.0 with: version: ${{ env.QT_VERSION }} - name: Grab cache files uses: actions/cache@668228422ae6a00e4ad889ee87cd7109ec5666a7 # v5.0.4 with: path: | ${{ runner.workspace }}/build/Downloads key: ${{ matrix.config.name }}-downloads #- name: Run sccache-cache # uses: mozilla-actions/sccache-action@7d986dd989559c6ecdb630a3fd2557667be217ad # v0.0.9 - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" # won't have any effect except on Mac echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} ${{env.CACHE}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Fix Mac plugins if: runner.os == 'macOS' working-directory: ${{ runner.workspace }}/build/prefix/lib/openbabel run: | for plugin in *.so; do for libpath in `otool -L ${plugin} | grep '/Users/runner/work' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 9`; echo "Fixing $plugin $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin done done cd .. # build/prefix/lib for plugin in libinchi.?.?.?.dylib libopenbabel.?.?.?.dylib; do for libpath in `otool -L ${plugin} | grep '/Users/runner/work' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 9`; echo "Fixing $plugin $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin done done otool -L libinchi.?.?.?.dylib otool -L libopenbabel.?.?.?.dylib # cp -p libinchi* ../Avogadro2.app/Contents/Frameworks/ # cp -p libopenbabel* ../Avogadro2.app/Contents/Frameworks/ # finally, fixup the binaries cd ../bin for exe in obabel obmm eht_bind genXrdPattern; do for libpath in `otool -L ${exe} | grep '/Users/runner/work' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 9`; echo "Fixing $exe $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $exe done done ls .. # build/prefix - name: Install the Apple certificate # From GitHub docs: https://docs.github.com/en/actions/guides/installing-an-apple-certificate-on-macos-runners-for-xcode-development if: runner.os == 'macOS' working-directory: ${{ runner.workspace }}/build env: BUILD_CERTIFICATE_BASE64: ${{ secrets.BUILD_CERTIFICATE_BASE64 }} P12_PASSWORD: ${{ secrets.P12_PASSWORD }} KEYCHAIN_PASSWORD: ${{ secrets.KEYCHAIN_PASSWORD }} NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }} NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} PRODUCT_BUNDLE_IDENTIFIER: cc.avogadro run: | # create variables if [ -n "${P12_PASSWORD}" ]; then CERTIFICATE_PATH=$RUNNER_TEMP/build_certificate.p12 KEYCHAIN_PATH=$RUNNER_TEMP/app-signing.keychain-db # import certificate and provisioning profile from secrets echo -n "$BUILD_CERTIFICATE_BASE64" | base64 -d -o $CERTIFICATE_PATH # create temporary keychain if the cert is non-zero if [ -s $CERTIFICATE_PATH ]; then security create-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH security set-keychain-settings -lut 21600 $KEYCHAIN_PATH security unlock-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH # import certificate to keychain security import $CERTIFICATE_PATH -P "$P12_PASSWORD" -A -t cert -f pkcs12 -k $KEYCHAIN_PATH security list-keychain -d user -s $KEYCHAIN_PATH fi # certificate exists fi # password exists - name: Create Mac Packages if: runner.os == 'macOS' shell: bash run: | set -euo pipefail exe_path=prefix/Avogadro2.app/Contents/MacOS/ args="" cp -p `which pixi` ${exe_path} for exe in ${exe_path}*; do args="${args} -executable=${exe}" done; macdeployqt prefix/Avogadro2.app ${args} -libpath=prefix/lib -always-overwrite # Remove CI-only absolute RPATH entries and ensure each Mach-O has # bundle-relative lookup paths for frameworks and private libraries. app_path=prefix/Avogadro2.app find "${app_path}/Contents" -type f \( -perm -111 -o -name "*.dylib" -o -name "*.so" \) -print0 | \ while IFS= read -r -d '' binary; do if ! file "${binary}" | grep -q "Mach-O"; then continue fi # Remove absolute RPATH entries from CI build/install roots. while IFS= read -r rpath; do if [[ -n "${rpath}" && "${rpath}" == /Users/runner/* ]]; then echo "Deleting RPATH ${rpath} in ${binary}" install_name_tool -delete_rpath "${rpath}" "${binary}" || true fi if [[ -n "${rpath}" && "${rpath}" == /home/runner/* ]]; then echo "Deleting RPATH ${rpath} in ${binary}" install_name_tool -delete_rpath "${rpath}" "${binary}" || true fi if [[ -n "${rpath}" && "${rpath}" == /opt/hostedtoolcache/* ]]; then echo "Deleting RPATH ${rpath} in ${binary}" install_name_tool -delete_rpath "${rpath}" "${binary}" || true fi done < <(otool -l "${binary}" | awk '/LC_RPATH/{getline; getline; if ($1 == "path") print $2}') # Add bundle-relative RPATH entries (duplicates are ignored). install_name_tool -add_rpath "@executable_path/../Frameworks" "${binary}" 2>/dev/null || true install_name_tool -add_rpath "@executable_path/../lib" "${binary}" 2>/dev/null || true install_name_tool -add_rpath "@loader_path/../Frameworks" "${binary}" 2>/dev/null || true install_name_tool -add_rpath "@loader_path/../lib" "${binary}" 2>/dev/null || true install_name_tool -add_rpath "@loader_path/../../Frameworks" "${binary}" 2>/dev/null || true install_name_tool -add_rpath "@loader_path/../../lib" "${binary}" 2>/dev/null || true done # Ensure any remaining absolute CI paths in linked libraries are switched # to @rpath-based references. find "${app_path}/Contents" -type f \( -perm -111 -o -name "*.dylib" -o -name "*.so" \) -print0 | \ while IFS= read -r -d '' binary; do if ! file "${binary}" | grep -q "Mach-O"; then continue fi while IFS= read -r dep; do case "${dep}" in /Users/runner/*|/home/runner/*|/opt/hostedtoolcache/*) ;; *) continue ;; esac if [[ "${dep}" == *".framework/"* ]]; then rel_path="$(echo "${dep}" | sed -E 's|^.*([^/]+\.framework/Versions/[^/]+/[^/]+)$|\1|')" if [[ -n "${rel_path}" && "${rel_path}" != "${dep}" ]]; then new_dep="@rpath/${rel_path}" else new_dep="@rpath/$(basename "${dep}")" fi else new_dep="@rpath/$(basename "${dep}")" fi echo "Rewriting ${binary}: ${dep} -> ${new_dep}" install_name_tool -change "${dep}" "${new_dep}" "${binary}" || true done < <(otool -L "${binary}" | awk '/^\t\// {print $1}') done if [ -n "${P12_PASSWORD}" ]; then # codesign the Open Babel modules, then the app /usr/bin/codesign -s "${CODESIGN_IDENTITY}" -f --timestamp --deep --options runtime --entitlements ../${{ github.event.repository.name }}/openchemistry/avogadroapp/cmake/Entitlements.plist prefix/Avogadro2.app/Contents/lib/openbabel/*.so /usr/bin/codesign -s "${CODESIGN_IDENTITY}" -f --timestamp --deep --options runtime --entitlements ../${{ github.event.repository.name }}/openchemistry/avogadroapp/cmake/Entitlements.plist prefix/Avogadro2.app fi # create the DMG cd prefix if [[ "${GITHUB_REF}" == refs/tags/* ]]; then # This is a tag - extract version VERSION="${GITHUB_REF#refs/tags/}" VERSION="${VERSION#v}" # Remove 'v' prefix if present VOLNAME="Avogadro2 ${VERSION}" IS_RELEASE=true else # This is a nightly build - no version # but include the date in the volume name VERSION="" VOLNAME="Avogadro2 $(date +%Y-%m-%d)" IS_RELEASE=false fi # Determine architecture ARCH=$(uname -m) # Build DMG filename if [[ "$IS_RELEASE" == true ]]; then if [[ "$ARCH" == "arm64" ]]; then DMG_NAME="Avogadro2-${VERSION}-Darwin-arm64.dmg" else DMG_NAME="Avogadro2-${VERSION}-Darwin.dmg" fi else if [[ "$ARCH" == "arm64" ]]; then DMG_NAME="Avogadro2-continuous-arm64.dmg" else DMG_NAME="Avogadro2-continuous.dmg" fi fi # Notarize the app bundle first, so the stapled ticket # is preserved when users copy the app out of the DMG if [ -n "${P12_PASSWORD}" ]; then echo "Creating ZIP for app notarization" ditto -c -k --keepParent Avogadro2.app Avogadro2.zip echo "Submitting app for notarization" xcrun notarytool submit Avogadro2.zip --apple-id "$NOTARIZE_USERNAME" --team-id "$NOTARIZE_TEAM" --password "$NOTARIZE_PASSWORD" --verbose --wait echo "Stapling app bundle" xcrun stapler staple -v Avogadro2.app rm Avogadro2.zip fi echo "Building DMG: ${DMG_NAME}" create-dmg --volname "${VOLNAME}" --icon-size 64 --filesystem "APFS" --format "ULMO" --no-internet-enable --icon "Avogadro2.app" 20 64 --app-drop-link 200 64 ${DMG_NAME} Avogadro2.app mv ${DMG_NAME} ../${DMG_NAME} cd .. if [ -n "${P12_PASSWORD}" ]; then echo "Submitting DMG: ${DMG_NAME}" xcrun notarytool submit ${DMG_NAME} --apple-id "$NOTARIZE_USERNAME" --team-id "$NOTARIZE_TEAM" --password "$NOTARIZE_PASSWORD" --verbose --wait echo "Stapling notarized DMG: ${DMG_NAME}" xcrun stapler staple -v ${DMG_NAME} fi working-directory: ${{ runner.workspace }}/build/ continue-on-error: true env: NOTARIZE_TEAM: ${{ secrets.AC_TEAM }} NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }} NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} PRODUCT_BUNDLE_IDENTIFIER: cc.avogadro P12_PASSWORD: ${{ secrets.P12_PASSWORD }} - name: Upload if: matrix.config.artifact != 0 uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Upload release assets uses: ./.github/actions/upload-release if: github.event_name == 'push' && (startsWith(github.ref, 'refs/tags/') || github.ref == 'refs/heads/master') env: GH_TOKEN: ${{ github.token }} with: artifacts: "${{ runner.workspace }}/build/Avogadro2*.dmg" - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 timeout-minutes: 60 OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_wheels.yml000066400000000000000000000075071516317240700262710ustar00rootroot00000000000000name: Build Wheels # adapted from https://github.com/pypa/cibuildwheel/blob/main/examples/github-deploy.yml on: workflow_dispatch: pull_request: push: release: types: - published concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true env: # builds to skip (e.g. skip 32-bit windows) CIBW_SKIP: "cp39-* *-manylinux_i686 *-win32" # Need to do some setup before repairing the wheel on linux... CIBW_REPAIR_WHEEL_COMMAND_LINUX: bash scripts/github-actions/repair_command_linux.sh CIBW_BEFORE_ALL_LINUX: bash scripts/github-actions/repair-linux.sh # Specify eigen location for windows CIBW_ENVIRONMENT_WINDOWS: "CMAKE_ARGS=-DEIGEN3_INCLUDE_DIR:PATH=/c/eigen" # Run tests CIBW_TEST_REQUIRES: pytest # Run a very simple test to make sure the wheels are working CIBW_TEST_COMMAND: pytest {project}/scripts/github-actions/simple_test.py # We can't currently test Mac arm64 builds on x64 CIBW_TEST_SKIP: "*_arm64" # Use bash by default for the run command defaults: run: shell: bash jobs: build_wheels: name: Build wheels for ${{ matrix.os }} runs-on: ${{ matrix.runs-on }} strategy: fail-fast: false matrix: include: - os: linux-intel runs-on: ubuntu-latest - os: linux-arm runs-on: ubuntu-24.04-arm - os: windows-intel runs-on: windows-latest #- os: windows-arm # runs-on: windows-11-arm - os: macos-intel # macos-15-intel is the last x86_64 runner runs-on: macos-15-intel - os: macos-arm # macos-14+ (including latest) are ARM64 runners runs-on: macos-latest #- os: pyodide # runs-on: ubuntu-latest # platform: pyodide steps: - uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: # Grab the whole history so that setuptools-scm can see the tags and # give it a correct version even on non-tag push. fetch-depth: 0 - name: Install dependencies run: . ./scripts/github-actions/install.sh - name: Build wheels uses: pypa/cibuildwheel@ee02a1537ce3071a004a6b08c41e72f0fdc42d9a # v3.4.0 env: CIBW_PLATFORM: ${{ matrix.platform || 'auto' }} CIBW_ARCHS: ${{ matrix.archs || 'auto' }} - uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }} path: ./wheelhouse/*.whl build_sdist: name: Build source distribution runs-on: ubuntu-latest steps: - uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 with: # Grab the whole history so that setuptools-scm can see the tags and # give it a correct version even on non-tag push. fetch-depth: 0 - name: Build sdist run: pipx run build --sdist - uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: name: cibw-sdist path: dist/*.tar.gz upload_pypi: needs: [build_wheels, build_sdist] name: Upload wheels to PyPI runs-on: ubuntu-latest environment: name: pypi url: https://pypi.org/p/avogadro permissions: id-token: write if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') steps: - uses: actions/download-artifact@3e5f45b2cfb9172054b4087a40e8e0b5a5461e7c # v8.0.1 with: # unpacks all CIBW artifacts into dist/ pattern: cibw-* path: dist merge-multiple: true - uses: pypa/gh-action-pypi-publish@ed0c53931b1dc9bd32cbe73a98c7f6766f8a527e # v1.13.0 with: password: ${{ secrets.pypi_api_token }} OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_win_arm.yml000066400000000000000000000154361516317240700264360ustar00rootroot00000000000000name: Windows ARM Build # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ # This workflow will build and (optionally) sign releases for Windows # .. since SignPath requires only a Windows build in the action # .. to successfully sign on: [workflow_dispatch] env: QT_VERSION: 6.10.1 # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems # we set MACOSX_DEPLOYMENT_TARGET later FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DQT_VERSION=6 -DUSE_3DCONNEXION=OFF -DBUILD_MOLEQUEUE=OFF concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Windows Qt6 ARM", artifact: "Win-ARM.exe", os: windows-11-arm, cc: "cl", cxx: "cl", build_type: "Release", cmake_flags: "-DCMAKE_TOOLCHAIN_FILE=/c/vcpkg/scripts/buildsystems/vcpkg.cmake -DUSE_SYSTEM_EIGEN=ON -DUSE_SYSTEM_LIBARCHIVE=ON -DUSE_SYSTEM_LIBXML2=ON -DUSE_SYSTEM_ZLIB=ON", build_flags: "-j 2", } steps: - name: Checkout workflow repository uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Install Qt uses: jurplel/install-qt-action@d325aaf2a8baeeda41ad0b5d39f84a6af9bcf005 # v4.3.0 with: cache: true version: ${{ env.QT_VERSION }} - name: Configure MSVC Command Prompt if: runner.os == 'Windows' uses: ilammy/msvc-dev-cmd@0b201ec74fa43914dc39ae48a89fd1d8cb592756 # v1.13.0 with: arch: arm64 # Emit a vcpkg_version output - name: Get vcpkg git sha if: runner.os == 'Windows' id: vcpkg_version run: | cd /c/vcpkg git pull origin master if [ -d /c/vcpkg/.git ]; then echo "sha=$(git -C /c/vcpkg rev-parse --short HEAD)" >> $GITHUB_OUTPUT else # just in case echo "sha=no-vcpkg-git" >> $GITHUB_OUTPUT fi shell: bash # Restore vcpkg cache (use manifest lock if available) - name: Restore vcpkg cache if: runner.os == 'Windows' uses: actions/cache@668228422ae6a00e4ad889ee87cd7109ec5666a7 # v5.0.4 with: path: | C:\vcpkg\installed C:\vcpkg\packages C:\vcpkg\downloads C:\vcpkg\buildtrees # We don't use a vcpkg manifest so we'll use the vcpkg git SHA as the cache key # Fallback to vcpkg git SHA so cache is somewhat stable across runs. key: vcpkg-${{ runner.os }}-${{ runner.arch }}-${{ steps.vcpkg_version.outputs.sha || 'no-vcpkgjson' }} env: VCPKG_ROOT: C:\vcpkg - name: Install Dependencies (Windows) if: runner.os == 'Windows' run: | choco install nsis vcpkg install libarchive eigen3 libxml2 zlib shell: bash - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Create Windows Packages if: runner.os == 'Windows' shell: bash run: | gh release download -R prefix-dev/pixi -p "pixi-aarch64-pc-windows-msvc.exe" # wget https://github.com/prefix-dev/pixi/releases/latest/download/pixi-aarch64-pc-windows-msvc.exe # move pixi to prefix/bin mv pixi-aarch64-pc-windows-msvc.exe prefix/bin/pixi.exe # run windeployqt windeployqt --release prefix/bin/avogadro2.exe mv prefix avogadro2 # 7z a Avogadro2-windows.zip avogadro2 cd avogadro2 # create NSIS /c/Program\ Files\ \(x86\)/NSIS/bin/makensis avogadro2.nsi if [[ "${GITHUB_REF}" == refs/tags/* ]]; then # This is a tag - extract version VERSION="${GITHUB_REF#refs/tags/}" VERSION="${VERSION#v}" # Remove 'v' prefix if present else # This is a nightly build - use current date VERSION="continuous" fi mv Avogadro2-Setup.exe ../Avogadro2-${VERSION}-win-arm.exe working-directory: ${{ runner.workspace }}/build/ env: GH_TOKEN: ${{ github.token }} - name: Upload if: matrix.config.artifact != 0 id: upload-artifact uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Upload release assets if: github.event_name == 'push' && (startsWith(github.ref, 'refs/tags/') || github.ref == 'refs/heads/master') uses: ./.github/actions/upload-release env: GH_TOKEN: ${{ github.token }} with: artifacts: "${{ runner.workspace }}/build/Avogadro2*.*" - name: Sign Windows release if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') uses: signpath/github-action-submit-signing-request@3f9250c56651ff692d6729a2fbb0603a42d7d322 # v2.0 continue-on-error: true with: api-token: '${{ secrets.SIGNPATH_API_TOKEN }}' organization-id: '${{ secrets.SIGNPATH_ORG_ID }}' project-slug: 'avogadrolibs' signing-policy-slug: 'release-signing' github-artifact-id: '${{ steps.upload-artifact.outputs.artifact-id }}' wait-for-completion: false output-artifact-directory: '../build/' - name: Create MSIX if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') shell: powershell run: # create MSIX makeappx pack /v /d . /p ../Avogadro2.msix working-directory: ${{ runner.workspace }}/build/avogadro2 env: GH_TOKEN: ${{ github.token }} - name: Upload MSIX uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/Avogadro2.msix name: Avogadro2.msix - name: Setup tmate session if: failure() uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 timeout-minutes: 60 OpenChemistry-avogadrolibs-ceb949f/.github/workflows/build_windows.yml000066400000000000000000000210371516317240700264660ustar00rootroot00000000000000name: Windows Build # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ # This workflow will build and (optionally) sign releases for Windows # .. since SignPath requires only a Windows build in the action # .. to successfully sign on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 6.8.3 # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems # we set MACOSX_DEPLOYMENT_TARGET later FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DQT_VERSION=6 -DUSE_3DCONNEXION=OFF -DBUILD_MOLEQUEUE=OFF concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Windows Qt6", artifact: "Win64.exe", os: windows-latest, cc: "cl", cxx: "cl", build_type: "Release", cmake_flags: "-G Ninja -DCMAKE_TOOLCHAIN_FILE=/c/vcpkg/scripts/buildsystems/vcpkg.cmake -DUSE_SYSTEM_EIGEN=ON -DUSE_SYSTEM_LIBARCHIVE=ON -DUSE_SYSTEM_LIBXML2=ON -DUSE_SYSTEM_ZLIB=ON", build_flags: "--parallel", } - { name: "Windows Tests", artifact: "", os: windows-latest, cc: "cl", cxx: "cl", build_type: "Release", test: true, cmake_flags: "-G Ninja -DCMAKE_TOOLCHAIN_FILE=/c/vcpkg/scripts/buildsystems/vcpkg.cmake -DUSE_SYSTEM_EIGEN=ON -DUSE_SYSTEM_LIBARCHIVE=ON -DUSE_SYSTEM_LIBXML2=ON -DUSE_SYSTEM_ZLIB=ON", build_flags: "--parallel", } steps: - name: Checkout workflow repository uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Install Qt uses: jurplel/install-qt-action@d325aaf2a8baeeda41ad0b5d39f84a6af9bcf005 # v4.3.0 with: cache: true version: ${{ env.QT_VERSION }} - name: Configure MSVC Command Prompt if: runner.os == 'Windows' uses: ilammy/msvc-dev-cmd@0b201ec74fa43914dc39ae48a89fd1d8cb592756 # v1.13.0 with: arch: x64 # Emit a vcpkg_version output - name: Get vcpkg git sha if: runner.os == 'Windows' id: vcpkg_version run: | cd /c/vcpkg git pull origin master if [ -d /c/vcpkg/.git ]; then echo "sha=$(git -C /c/vcpkg rev-parse --short HEAD)" >> $GITHUB_OUTPUT else # just in case echo "sha=no-vcpkg-git" >> $GITHUB_OUTPUT fi shell: bash # Restore vcpkg cache (use manifest lock if available) - name: Restore vcpkg cache if: runner.os == 'Windows' uses: actions/cache@668228422ae6a00e4ad889ee87cd7109ec5666a7 # v5.0.4 with: path: | C:\vcpkg\installed C:\vcpkg\packages C:\vcpkg\downloads # We don't use a vcpkg manifest so we'll use the vcpkg git SHA as the cache key # Fallback to vcpkg git SHA so cache is somewhat stable across runs. key: vcpkg-${{ runner.os }}-${{ runner.arch }}-${{ steps.vcpkg_version.outputs.sha || 'no-vcpkgjson' }} restore-keys: | vcpkg-${{ runner.os }}-${{ runner.arch }}- env: VCPKG_ROOT: C:\vcpkg - name: Install Dependencies (Windows) if: runner.os == 'Windows' run: | choco install nsis ninja vcpkg install libarchive eigen3 libxml2 zlib gtest shell: bash - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash # Cache thirdparty builds (OpenBabel, etc.) - name: Cache thirdparty uses: actions/cache@668228422ae6a00e4ad889ee87cd7109ec5666a7 # v5.0.4 with: path: | ${{ runner.workspace }}/build/Downloads key: thirdparty-${{ runner.os }}-${{ runner.arch }}-${{ hashFiles('openchemistry/cmake/External*.cmake', 'openchemistry/cmake/projects/*.cmake') }} restore-keys: | thirdparty-${{ runner.os }}-${{ runner.arch }}- - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Run tests if: (matrix.config.test == true) shell: bash run: | cd "${{ runner.workspace }}/build/avogadrolibs" # just turn on tests for cmake -DENABLE_TESTING=ON . cmake --build . # Add DLL directories to PATH so tests can find dependencies export PATH="${QT_ROOT_DIR}/bin:/c/vcpkg/installed/x64-windows/bin:${{ runner.workspace }}/build/prefix/bin:$PATH" ctest --output-on-failure - name: Create Windows Packages if: matrix.config.artifact != 0 shell: bash run: | gh release download -R prefix-dev/pixi -p "pixi-x86_64-pc-windows-msvc.exe" # wget https://github.com/prefix-dev/pixi/releases/latest/download/pixi-x86_64-pc-windows-msvc.exe # move pixi to prefix/bin mv pixi-x86_64-pc-windows-msvc.exe prefix/bin/pixi.exe # run windeployqt windeployqt --release prefix/bin/avogadro2.exe # Copy Qt DLLs that windeployqt misses (used by plugins and JKQTPlotter) cp "${QT_ROOT_DIR}/bin/Qt6Concurrent.dll" prefix/bin/ cp "${QT_ROOT_DIR}/bin/Qt6PrintSupport.dll" prefix/bin/ cp "${QT_ROOT_DIR}/bin/Qt6Xml.dll" prefix/bin/ mv prefix avogadro2 # 7z a Avogadro2-windows.zip avogadro2 cd avogadro2 # create NSIS /c/Program\ Files\ \(x86\)/NSIS/makensis avogadro2.nsi if [[ "${GITHUB_REF}" == refs/tags/* ]]; then # This is a tag - extract version VERSION="${GITHUB_REF#refs/tags/}" VERSION="${VERSION#v}" # Remove 'v' prefix if present else # This is a nightly build - use current date VERSION="continuous" fi mv Avogadro2-Setup.exe ../Avogadro2-${VERSION}-win64.exe working-directory: ${{ runner.workspace }}/build/ env: GH_TOKEN: ${{ github.token }} - name: Upload if: matrix.config.artifact != 0 id: upload-artifact uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Upload release assets if: github.event_name == 'push' && (startsWith(github.ref, 'refs/tags/') || github.ref == 'refs/heads/master') uses: ./.github/actions/upload-release env: GH_TOKEN: ${{ github.token }} with: artifacts: "${{ runner.workspace }}/build/Avogadro2*.*" - name: Sign Windows release if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') uses: signpath/github-action-submit-signing-request@3f9250c56651ff692d6729a2fbb0603a42d7d322 # v2.0 continue-on-error: true with: api-token: '${{ secrets.SIGNPATH_API_TOKEN }}' organization-id: '${{ secrets.SIGNPATH_ORG_ID }}' project-slug: 'avogadrolibs' signing-policy-slug: 'release-signing' github-artifact-id: '${{ steps.upload-artifact.outputs.artifact-id }}' wait-for-completion: false output-artifact-directory: '../build/' - name: Create MSIX if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') shell: powershell run: # create MSIX makeappx pack /v /d . /p ../Avogadro2.msix working-directory: ${{ runner.workspace }}/build/avogadro2 env: GH_TOKEN: ${{ github.token }} - name: Upload MSIX if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/build/Avogadro2.msix name: Avogadro2.msix - name: Setup tmate session if: failure() uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 timeout-minutes: 60 OpenChemistry-avogadrolibs-ceb949f/.github/workflows/clang-format-check.yml000066400000000000000000000046031516317240700272420ustar00rootroot00000000000000name: clang-format Check on: [push, pull_request] jobs: formatting-check: name: Formatting Check runs-on: ubuntu-latest if: ${{ github.ref != 'refs/heads/master' }} steps: - name: 'Install clang-format' run: sudo apt-get -qq install clang-format - uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: 'Run clang-format-diff' run: | git remote set-url origin https://x-access-token:${{ secrets.GITHUB_TOKEN }}@github.com/openchemistry/avogadrolibs git fetch origin master:master echo `which clang-format-diff` export MASTER_SHA=`cat .git/refs/heads/master` echo MASTER_SHA=${MASTER_SHA} git diff `cat .git/refs/heads/master` --name-only DIFF=`git diff -U0 ${MASTER_SHA} -- '*.h' '*.cpp' | clang-format-diff -p1` if [ -z "$DIFF" ]; then printf "clang-format-diff reports no problems" exit 0 else git diff -U0 ${MASTER_SHA} -- '*.h' '*.cpp' | clang-format-diff -p1 >${{ runner.workspace }}/clang-format.diff exit 1 fi - name: Upload patch if: failure() uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: path: ${{ runner.workspace }}/clang-format.diff name: clang-format.diff - name: Comment on diff if: failure() run: | export NAME=`curl "https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" | jq '.artifacts[].name'` export DL=`curl "https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" | jq '.artifacts[].archive_download_url'` export URL="https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" echo URL=${URL} echo NAME=${NAME} echo DL=${DL} curl "https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" jq -nc "{\"body\": \"ERROR: clang-format-diff detected formatting issues. See the artifact for a patch or run clang-format on your branch.\"}" | \ curl -sL -X POST -d @- \ -H "Content-Type: application/json" \ -H "Authorization: token ${{ secrets.GITHUB_TOKEN }}" \ "https://api.github.com/repos/$GITHUB_REPOSITORY/commits/$GITHUB_SHA/comments" OpenChemistry-avogadrolibs-ceb949f/.github/workflows/clang-tidy.yml000066400000000000000000000063101516317240700256450ustar00rootroot00000000000000name: Clang-Tidy Static Analysis on: workflow_dispatch: env: FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_YAEHMOP=ON BUILD_TYPE: RelWithDebInfo QT_VERSION: 6.8.3 jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Ubuntu Analysis", os: ubuntu-latest, cc: "clang", cxx: "clang++", cmake_flags: "-G Ninja -DCMAKE_EXPORT_COMPILE_COMMANDS=1 -DUSE_SYSTEM_LIBXML2=ON -USE_SYSTEM_ZLIB=ON", cpack: "", } steps: - name: Install Dependencies (Linux) if: runner.os == 'Linux' run: | sudo apt-get -qq update sudo apt-get -qq install ninja-build bear libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install clang-tidy - name: Install Qt uses: jurplel/install-qt-action@b7840a6733f49e2a39c4355260d2375063d39b61 # v3 with: cache: true version: ${{ env.QT_VERSION }} - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Grab cache files uses: actions/cache@668228422ae6a00e4ad889ee87cd7109ec5666a7 # v5.0.4 if: runner.os != 'Windows' with: path: | ${{ runner.workspace }}/build/thirdparty ${{ runner.workspace }}/build/Downloads key: ${{ matrix.config.name }}-thirdparty - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} ninja # only re-compile avogadrolibs (cd avogadrolibs; ninja clean) bear -- ninja shell: bash working-directory: ${{ runner.workspace }}/build - name: Create results directory run: | mkdir ${{ runner.workspace }}/clang-tidy-result - name: Analyze run: | # generate the fixes and we'll make a diff run-clang-tidy -p ../build -fix cd avogadrolibs pwd echo "Generating diff" git diff >${{ runner.workspace }}/clang-tidy-result/tidy.patch working-directory: ${{ runner.workspace }}/avogadrolibs - name: Save PR metadata run: | echo ${{ github.event.number }} > ${{ runner.workspace }}/clang-tidy-result/pr-id.txt echo ${{ github.event.pull_request.head.repo.full_name }} > ${{ runner.workspace }}/clang-tidy-result/pr-head-repo.txt echo ${{ github.event.pull_request.head.ref }} > ${{ runner.workspace }}/clang-tidy-result/pr-head-ref.txt - uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: name: clang-tidy-result path: ${{ runner.workspace }}/clang-tidy-result/ - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@c0afd6f790e3a5564914980036ebf83216678101 # v3.23 OpenChemistry-avogadrolibs-ceb949f/.github/workflows/codacy.yml000066400000000000000000000053471516317240700250650ustar00rootroot00000000000000# This workflow uses actions that are not certified by GitHub. # They are provided by a third-party and are governed by # separate terms of service, privacy policy, and support # documentation. # This workflow checks out code, performs a Codacy security scan # and integrates the results with the # GitHub Advanced Security code scanning feature. For more information on # the Codacy security scan action usage and parameters, see # https://github.com/codacy/codacy-analysis-cli-action. # For more information on Codacy Analysis CLI in general, see # https://github.com/codacy/codacy-analysis-cli. name: Codacy Security Scan on: workflow_dispatch: # push: # branches: [ master ] # pull_request: # # The branches below must be a subset of the branches above # branches: [ master ] # schedule: # - cron: '28 10 * * 6' permissions: contents: read jobs: codacy-security-scan: name: Codacy Security Scan permissions: contents: read # for actions/checkout to fetch code security-events: write # for github/codeql-action/upload-sarif to upload SARIF results runs-on: ubuntu-latest concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true steps: # Checkout the repository to the GitHub Actions runner - name: Checkout code uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 # Execute Codacy Analysis CLI and generate a SARIF output with the security issues identified during the analysis - name: Run Codacy Analysis CLI uses: codacy/codacy-analysis-cli-action@562ee3e92b8e92df8b67e0a5ff8aa8e261919c08 # v4.4.7 with: # Check https://github.com/codacy/codacy-analysis-cli#project-token to get your project token from your Codacy repository # You can also omit the token and run the tools that support default configurations project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} verbose: true output: results.sarif format: sarif # Adjust severity of non-security issues gh-code-scanning-compat: true # Force 0 exit code to allow SARIF file generation # This will handover control about PR rejection to the GitHub side max-allowed-issues: 2147483647 - name: Filter out MISRA run: | pip install globber python3 scripts/github-actions/filter_sarif.py --input results.sarif --output filtered.sarif --split-lines -- "-**/*.*:cppcheck_misra*" # Upload the SARIF file generated in the previous step - name: Upload SARIF results file uses: github/codeql-action/upload-sarif@c10b8064de6f491fea524254123dbe5e09572f13 # v4.35.1 with: sarif_file: filtered.sarif OpenChemistry-avogadrolibs-ceb949f/.github/workflows/fuzz_linux.yml000066400000000000000000000134351516317240700260350ustar00rootroot00000000000000name: Linux Fuzz Tests on: schedule: - cron: '0 3 * * *' workflow_dispatch: env: QT_VERSION: 6.8.3 FEATURES: -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DQT_VERSION=6 AVOGADRO_DATA_ROOT: ${{ github.workspace }}/openchemistry/avogadrodata concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: fuzz: name: Ubuntu Fuzz Tests runs-on: ubuntu-latest steps: - name: Checkout workflow repository uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Checkout Repositories uses: ./.github/actions/checkout-repositories - name: Install Dependencies run: | sudo apt-get -qq update sudo apt-get -qq install clang ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev - name: Install Qt uses: jurplel/install-qt-action@d325aaf2a8baeeda41ad0b5d39f84a6af9bcf005 # v4.3.0 with: cache: true version: ${{ env.QT_VERSION }} - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CFLAGS="-O1 -g -fno-omit-frame-pointer -fsanitize=address,undefined" \ CXXFLAGS="-O1 -g -fno-omit-frame-pointer -fsanitize=address,undefined" \ LDFLAGS="-fsanitize=address,undefined" \ CC=clang CXX=clang++ cmake -G Ninja $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=RelWithDebInfo -DENABLE_TESTING=ON -DTEST_QTGL=OFF -DENABLE_FUZZ=ON -DUSE_SYSTEM_EIGEN=TRUE shell: bash - name: Build run: | CC=clang CXX=clang++ cmake --build . shell: bash working-directory: ${{ runner.workspace }}/build - name: Run fuzz tests shell: bash run: | set -uo pipefail cd "${{ runner.workspace }}/build/avogadrolibs" cmake -DENABLE_FUZZ=ON . cmake --build . export LLVM_SYMBOLIZER_PATH="$(command -v llvm-symbolizer)" export ASAN_OPTIONS="symbolize=1:detect_leaks=1:abort_on_error=1:color=always" export UBSAN_OPTIONS="print_stacktrace=1:halt_on_error=1" io_fuzzers=(cjson cml sdf pdb xyz) quantum_fuzzers=(cube fchk molden orca qcschema) core_fuzzers=(bond crystal graph molecule neighbor ring utilities) qtgui_fuzzers=(rwmolecule generichighlighter jsonwidget interfacescript-json) artifact_root="${{ runner.workspace }}/build/avogadrolibs/fuzz-artifacts" failures=0 for f in "${io_fuzzers[@]}"; do echo "Running IO fuzzer: $f" artifact_dir="${artifact_root}/io/${f}" mkdir -p "${artifact_dir}" corpus_dir="${AVOGADRO_DATA_ROOT}/data/${f}" if [ -d "${corpus_dir}" ]; then if ! "./bin/fuzz_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" "${corpus_dir}" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi else if ! "./bin/fuzz_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi fi done for f in "${quantum_fuzzers[@]}"; do echo "Running QuantumIO fuzzer: $f" artifact_dir="${artifact_root}/quantumio/${f}" mkdir -p "${artifact_dir}" corpus_dir="${AVOGADRO_DATA_ROOT}/data/${f}" if [ -d "${corpus_dir}" ]; then if ! "./bin/fuzz_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" "${corpus_dir}" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi else if ! "./bin/fuzz_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi fi done for f in "${core_fuzzers[@]}"; do echo "Running Core fuzzer: $f" artifact_dir="${artifact_root}/core/${f}" mkdir -p "${artifact_dir}" corpus_dir="${AVOGADRO_DATA_ROOT}/data/core/${f}" if [ -d "${corpus_dir}" ]; then if ! "./bin/fuzz_core_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" "${corpus_dir}" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi else if ! "./bin/fuzz_core_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi fi done for f in "${qtgui_fuzzers[@]}"; do echo "Running QtGui fuzzer: $f" artifact_dir="${artifact_root}/qtgui/${f}" mkdir -p "${artifact_dir}" corpus_dir="${AVOGADRO_DATA_ROOT}/data/qtgui/${f}" if [ -d "${corpus_dir}" ]; then if ! "./bin/fuzz_qtgui_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" "${corpus_dir}" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi else if ! "./bin/fuzz_qtgui_${f}" -max_total_time=60 -timeout=10 -artifact_prefix="${artifact_dir}/" 2>&1 | tee "${artifact_dir}/run.log"; then failures=1 fi fi done exit "${failures}" - name: Upload fuzz crash artifacts if: ${{ always() }} uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: name: fuzz-crashes path: | ${{ runner.workspace }}/build/avogadrolibs/crash* ${{ runner.workspace }}/build/avogadrolibs/timeout* ${{ runner.workspace }}/build/avogadrolibs/leak* ${{ runner.workspace }}/build/avogadrolibs/fuzz-artifacts if-no-files-found: ignore OpenChemistry-avogadrolibs-ceb949f/.github/workflows/release-drafter.yml000066400000000000000000000015741516317240700266660ustar00rootroot00000000000000name: Release Drafter # https://github.com/release-drafter/release-drafter on: push: # branches to consider in the event; optional, defaults to all branches: - master # pull_request event is required only for autolabeler pull_request: # Only following types are handled by the action, but one can default to all as well types: [opened, reopened, synchronize] jobs: update_release_draft: runs-on: ubuntu-latest steps: # Drafts your next Release notes as Pull Requests are merged into "master" - uses: release-drafter/release-drafter@139054aeaa9adc52ab36ddf67437541f039b88e2 # v7.1.1 # (Optional) specify config name to use, relative to .github/. Default: release-drafter.yml # with: # config-name: my-config.yml # disable-autolabeler: true env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} OpenChemistry-avogadrolibs-ceb949f/.github/workflows/scorecard.yml000066400000000000000000000066261516317240700255710ustar00rootroot00000000000000# This workflow uses actions that are not certified by GitHub. They are provided # by a third-party and are governed by separate terms of service, privacy # policy, and support documentation. name: Scorecard supply-chain security on: # For Branch-Protection check. Only the default branch is supported. See # https://github.com/ossf/scorecard/blob/main/docs/checks.md#branch-protection branch_protection_rule: # To guarantee Maintained check is occasionally updated. See # https://github.com/ossf/scorecard/blob/main/docs/checks.md#maintained schedule: - cron: '24 20 * * 4' push: branches: [ "master" ] # Declare default permissions as read only. permissions: read-all jobs: analysis: name: Scorecard analysis runs-on: ubuntu-latest # `publish_results: true` only works when run from the default branch. conditional can be removed if disabled. if: github.event.repository.default_branch == github.ref_name || github.event_name == 'pull_request' permissions: # Needed to upload the results to code-scanning dashboard. security-events: write # Needed to publish results and get a badge (see publish_results below). id-token: write # Uncomment the permissions below if installing in a private repository. # contents: read # actions: read steps: - name: "Checkout code" uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v4.2.2 with: persist-credentials: false - name: "Run analysis" uses: ossf/scorecard-action@4eaacf0543bb3f2c246792bd56e8cdeffafb205a # v2.4.3 with: results_file: results.sarif results_format: sarif # (Optional) "write" PAT token. Uncomment the `repo_token` line below if: # - you want to enable the Branch-Protection check on a *public* repository, or # - you are installing Scorecard on a *private* repository # To create the PAT, follow the steps in https://github.com/ossf/scorecard-action?tab=readme-ov-file#authentication-with-fine-grained-pat-optional. # repo_token: ${{ secrets.SCORECARD_TOKEN }} # Public repositories: # - Publish results to OpenSSF REST API for easy access by consumers # - Allows the repository to include the Scorecard badge. # - See https://github.com/ossf/scorecard-action#publishing-results. # For private repositories: # - `publish_results` will always be set to `false`, regardless # of the value entered here. publish_results: true # (Optional) Uncomment file_mode if you have a .gitattributes with files marked export-ignore # file_mode: git # Upload the results as artifacts (optional). Commenting out will disable uploads of run results in SARIF # format to the repository Actions tab. - name: "Upload artifact" uses: actions/upload-artifact@bbbca2ddaa5d8feaa63e36b76fdaad77386f024f # v7.0.0 with: name: SARIF file path: results.sarif retention-days: 5 # Upload the results to GitHub's code scanning dashboard (optional). # Commenting out will disable upload of results to your repo's Code Scanning dashboard - name: "Upload to code-scanning" uses: github/codeql-action/upload-sarif@c10b8064de6f491fea524254123dbe5e09572f13 # v4.35.1 with: sarif_file: results.sarif OpenChemistry-avogadrolibs-ceb949f/.github/workflows/update-i18n-templates.yml000066400000000000000000000016501516317240700276470ustar00rootroot00000000000000name: update-i18n-templates on: workflow_dispatch: schedule: # * is a special character in YAML so you have to quote this string # run weekly, every Sunday at 01:23 - cron: '23 1 * * 0' jobs: update-i18n: name: Update translation templates runs-on: ubuntu-latest steps: - uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2 - name: Install packages run: | sudo apt-get -qq update sudo apt-get -qq install gettext - name: Run extract-messages run: | sh scripts/extract-messages.sh - name: Create pull request uses: peter-evans/create-pull-request@c0f553fe549906ede9cf27b5156039d195d2ece0 # v8.1.0 with: commit-message: "Automated translation updates" signoff: true title: "Automated translation updates" branch: update-i18n-templates delete-branch: true labels: i18n OpenChemistry-avogadrolibs-ceb949f/.gitignore000066400000000000000000000056071516317240700214720ustar00rootroot00000000000000docs/build .DS_Store .vscode # Byte-compiled / optimized / DLL files __pycache__/ *.py[cod] *$py.class # C extensions *.so # Distribution / packaging .Python build/ develop-eggs/ dist/ downloads/ eggs/ .eggs/ lib/ lib64/ parts/ sdist/ var/ wheels/ share/python-wheels/ *.egg-info/ .installed.cfg *.egg MANIFEST # PyInstaller # Usually these files are written by a python script from a template # before PyInstaller builds the exe, so as to inject date/other infos into it. *.manifest *.spec # Installer logs pip-log.txt pip-delete-this-directory.txt # Unit test / coverage reports htmlcov/ .tox/ .nox/ .coverage .coverage.* .cache nosetests.xml coverage.xml *.cover *.py,cover .hypothesis/ .pytest_cache/ cover/ # Translations *.mo *.pot # Django stuff: *.log local_settings.py db.sqlite3 db.sqlite3-journal # Flask stuff: instance/ .webassets-cache # Scrapy stuff: .scrapy # Sphinx documentation docs/_build/ # PyBuilder .pybuilder/ target/ # Jupyter Notebook .ipynb_checkpoints # IPython profile_default/ ipython_config.py # pyenv # For a library or package, you might want to ignore these files since the code is # intended to run in multiple environments; otherwise, check them in: # .python-version # pipenv # According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. # However, in case of collaboration, if having platform-specific dependencies or dependencies # having no cross-platform support, pipenv may install dependencies that don't work, or not # install all needed dependencies. #Pipfile.lock # poetry # Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control. # This is especially recommended for binary packages to ensure reproducibility, and is more # commonly ignored for libraries. # https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control #poetry.lock # pdm # Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control. #pdm.lock # pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it # in version control. # https://pdm.fming.dev/#use-with-ide .pdm.toml # PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm __pypackages__/ # Celery stuff celerybeat-schedule celerybeat.pid # SageMath parsed files *.sage.py # Environments .env .venv env/ venv/ ENV/ env.bak/ venv.bak/ # Spyder project settings .spyderproject .spyproject # Rope project settings .ropeproject # mkdocs documentation /site # mypy .mypy_cache/ .dmypy.json dmypy.json # Pyre type checker .pyre/ # pytype static type analyzer .pytype/ # Cython debug symbols cython_debug/ # CLion / JetBrains project files .idea/ # Local doc builds build-docs//build/ /build-*/ /build-docs/ /build-install/ /cmake-build-debug/ /.idea/ /build/ /build-*/ /build-docs/ /build-install/ /cmake-build-debug/ /.idea/ OpenChemistry-avogadrolibs-ceb949f/.misspell-fixer.ignore000066400000000000000000000000411516317240700237130ustar00rootroot00000000000000^avogadro/quantumio/gamessus.cpp OpenChemistry-avogadrolibs-ceb949f/.pre-commit-config.yaml000066400000000000000000000010761516317240700237570ustar00rootroot00000000000000# See https://pre-commit.com for more information # See https://pre-commit.com/hooks.html for more hooks exclude: ^thirdparty repos: - repo: https://github.com/pre-commit/pre-commit-hooks rev: v4.5.0 hooks: - id: trailing-whitespace - id: end-of-file-fixer - id: check-yaml - id: check-added-large-files - id: check-json - id: check-case-conflict - id: check-toml - repo: https://github.com/pre-commit/mirrors-clang-format rev: 'v17.0.6' # Use the sha / tag you want to point at hooks: - id: clang-format OpenChemistry-avogadrolibs-ceb949f/AGENTS.md000066400000000000000000000132751516317240700210050ustar00rootroot00000000000000# Avogadro Project For Avogadro, code needs to be **correct** particularly for science-related topics. The force fields, the molecular dynamics, molecular surfaces, orbitals, etc. needs substantial human intervention and review. We suggest that agents be used primarily for writing small snippets and boilerplate, with full, careful human analysis particularly for chemical and mathematical components. Avogadro is an open source C++ desktop chemistry app, focusing on building, editing and visualizing molecules and materials. This includes running simple simulations, geometry optimizations, analysis and OpenGL visualization. The avogadrolibs repository focuses on the key library components including `avogadro/calc` for calculating atomic charges and energies, `avogadro/core` for fundamental non-UI classes, `avogadro/io` for core file format IO, `avogadro/qtgui` for core Qt UI classes, `avogadro/qtplugins` for isolated plugin classes as menu actions, tools, and rendering display plugins, `avogadro/quantumio` for reading quantum chemical formats, and `avogadro/rendering` for OpenGL rendering code including GLSL shaders. ## 🧠 Context - **Project Type**: Cross-Platform Desktop App - **Purpose**: Scientific Visualization / Molecular Modeling / Computational Chemistry - **Language**: C++ 17 and GLSL - **Framework / Libraries**: STL / Qt / CMake / GoogleTest / OpenGL / Eigen - **Architecture**: Modular / Layered / RAII / OOP / Component-Based ## 🔧 General Guidelines - Use modern C++ (C++17 where supported). - Add unit tests to `tests/` for new features. - Add regression tests for bug fixes. - Favor smart pointers (`std::unique_ptr`, `std::shared_ptr`) over raw pointers. - Use `const`, `constexpr`, and `noexcept` to express intent. - Try to keep headers clean -- generally avoid logic in header files. - Use `clang-format` for consistent formatting (see `.clang-format` at the repo root). - Favor readability, modularity, and safety. Code should never crash or leak memory. - Give information about any CMake Policies that might affect CMake variables that are suggested or mentioned. - This project needs to be cross-platform for Windows, macOS, Linux, and BSD and cross-compiler for MSVC, Clang, and GCC. - Minimum CMake version is 3.24, so policies in that range may apply. ## 📁 File Structure Use this structure as a guide when creating or updating files: ```text avogadro/ calc/ command/ core/ io/ molequeue/ qtgui/ qtopengl/ qtplugins/ quantumio/ rendering/ tests/ calc/ core/ io/ qtgui/ rendering/ thirdparty/ ``` ## 🧶 Patterns ### ✅ Patterns to Follow - Classes in `core` should have no external dependencies (Eigen is okay). Any classes requiring Qt should be in `qtgui` and any code using OpenGL should be in `rendering`. - File format classes are handled in `io` which only depends on `core`. Quantum chemical program formats are generally handled in `quantumio` - Calculations such as charge models and force fields (e.g., Lennard-Jones and UFF) are found in `calc`. These should leverage vector methods in Eigen where possible. - Encapsulate with classes and clean header/implementation separation. - Favor the Rule of 5 or Rule of 0 when managing custom types. - Use interfaces (`abstract class`) for testability and polymorphism. - Prefer `enum class` over unscoped enums. - Use CMake targets and `target_include_directories` for modular build config. ### 🚫 Patterns to Avoid - Avoid macros for constants: prefer `constexpr` or `inline` `const`. - Avoid implementation logic in header files unless using templates. - Avoid global variables unless necessary and wrapped in a namespace or singleton. - Don’t overuse inheritance; prefer composition. - Avoid manual memory management unless absolutely required. ## 🧪 Testing Guidelines - Use `GoogleTest` for unit testing. - Test constructors, copy/move semantics, and edge cases. - Write tests for all public APIs. - Isolate dependencies using mock interfaces or adapters. - Test core logic in isolation from I/O or rendering subsystems. - Use `CMake` to register and run tests via `ctest`. ## 🛠️ Build & Tooling - In most cases, you wish to build through the `openchemistry` superbuild. For example, see our [build instructions](https://two.avogadro.cc/develop/build.html) - Use a separate directory for `build` - Configure: `cmake -S . -B build` - Build: `cmake --build build` - Test: `ctest --test-dir build` ## 🧩 Example Prompts - `Create a C++ class for a thread-safe queue using std::mutex and std::condition_variable.` - `Implement an abstract class Drawable with a draw() method and two subclasses.` - `Write a GoogleTest unit test for the Molecule::centerOfGeometry method.` - `Implement a C++ string buffer for uncompressing streams using libarchive.` - `Please help modernize this OpenGL code to support the 4.0 core profile` ## 🔁 Iteration & Review - Always review generated code for security, memory safety and correctness. - Consider edge cases, for example colinear angles, molecules with no atoms, etc. - Use comments to explain complex logic and guide suggestions. - Refactor output to match the project's code conventions. - Run `clang-tidy`, `cppcheck`, and sanitizers on generated code for static analysis. ## 📚 References - [C++ Core Guidelines](https://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines) - [Modern C++ Features (C++17/20)](https://github.com/AnthonyCalandra/modern-cpp-features) - [Google C++ Style Guide](https://google.github.io/styleguide/cppguide.html) - [CMake Documentation](https://cmake.org/documentation/) - [GoogleTest Documentation](https://github.com/google/googletest) - [Clang-Tidy Checks](https://clang.llvm.org/extra/clang-tidy/) - [CppReference STL Docs](https://en.cppreference.com/w/cpp) OpenChemistry-avogadrolibs-ceb949f/CITATION.cff000066400000000000000000000023531516317240700213670ustar00rootroot00000000000000# This CITATION.cff file was generated with cffinit. # Visit https://bit.ly/cffinit to generate yours today! cff-version: 1.2.0 title: Avogadro message: >- Please cite this software using the metadata from 'preferred-citation'. type: software authors: - given-names: Marcus family-names: Hanwell orcid: 'https://orcid.org/0000-0002-5851-5272' - given-names: Geoffrey family-names: Hutchison affiliation: University of Pittsburgh orcid: 'https://orcid.org/0000-0002-1757-1980' identifiers: - type: doi value: 10.1186/1758-2946-4-17 description: Avogadro Paper - type: doi value: 10.1186/1758-2946-5-25 description: Avogadro2 Chemical Markup Language repository-code: 'https://github.com/openchemistry/avogadrolibs' url: 'https://two.avogadro.cc/' abstract: >- Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. keywords: - open source - cheminformatics - computational chemistry - scientific visualization - open chemistry - open science - OpenGL license: BSD-3-Clause OpenChemistry-avogadrolibs-ceb949f/CMakeLists.txt000066400000000000000000000116471516317240700222430ustar00rootroot00000000000000cmake_minimum_required(VERSION 3.24 FATAL_ERROR) project(AvogadroLibs) set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake) # Use C++17 when possible option(PYTHON_WHEEL_BUILD "Is this a Python wheel build?" OFF) mark_as_advanced(PYTHON_WHEEL_BUILD) set(CMAKE_CXX_STANDARD 17) set(CMAKE_CXX_STANDARD_REQUIRED True) set(CMAKE_CXX_EXTENSIONS False) # Set symbol visibility defaults for all targets. set(CMAKE_CXX_VISIBILITY_PRESET "hidden") set(CMAKE_VISIBILITY_INLINES_HIDDEN True) include(BuildType) include(BuildLocation) include(CompilerFlags) include(InstallLocation) include(DetermineVersion) # Set up our version. set(AvogadroLibs_VERSION_MAJOR "2") set(AvogadroLibs_VERSION_MINOR "0") set(AvogadroLibs_VERSION_PATCH "0") set(AvogadroLibs_VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}") find_package(Git) determine_version(${AvogadroLibs_SOURCE_DIR} ${GIT_EXECUTABLE} "AvogadroLibs") # path for data / fragment files which could be overriden by package maintainers # by default we assume we're using the openchemistry superbuild layout # .. this is used by the fragment library, molecules, crystals, etc. set(AvogadroLibs_SOURCEDATA_DIR "${AvogadroLibs_SOURCE_DIR}/..") option(BUILD_SHARED_LIBS "Build with shared libraries" ON) # Before any plugins are defined, and before any add_subdirectory calls: set_property(GLOBAL PROPERTY AvogadroLibs_PLUGINS) set_property(GLOBAL PROPERTY AvogadroLibs_STATIC_PLUGINS) if(MSVC) add_definitions("-D_CRT_SECURE_NO_WARNINGS" "-DNOMINMAX -D_USE_MATH_DEFINES") # Ensure __cplusplus is correct, otherwise it defaults to 199711L which isn't true # https://docs.microsoft.com/en-us/cpp/build/reference/zc-cplusplus?view=msvc-160 set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /Zc:__cplusplus") message(STATUS "Setting MSVC debug information format to 'Embedded'") set(CMAKE_MSVC_DEBUG_INFORMATION_FORMAT "$<$:Embedded>") set(CMAKE_VS_GLOBALS "UseMultiToolTask=true" "DebugInformationFormat=OldStyle" ) endif() option(ENABLE_TESTING "Enable testing and building the tests." OFF) option(USE_OPENGL "Enable libraries that use OpenGL" ON) option(USE_HDF5 "Enable optional HDF5 features" OFF) option(USE_QT "Enable libraries that use Qt 6" ON) option(USE_LIBARCHIVE "Enable optional Libarchive features" ON) option(USE_LIBMSYM "Enable optional features using libmsym" ON) option(USE_SPGLIB "Enable optional features using spglib" ON) option(USE_PLOTTER "Enable JKQTPlotter for charts and spectra" ON) option(USE_MMTF "Enable optional features using mmtf" OFF) # MMTF is no longer maintained option(USE_PYTHON "Use Python to wrap some of our API" OFF) option(USE_EXTERNAL_NLOHMANN "Use an externally-provided version of the nlohmann JSON library" OFF) option(USE_EXTERNAL_PUGIXML "Use an externally-provided version of pugixml" OFF) option(USE_EXTERNAL_STRUCT "Use an externally-provided version of the struct binary data formatting library" OFF) option(USE_EXTERNAL_TOMLPLUSPLUS "Use an externally-provided version of tomlplusplus" OFF) option(ENABLE_CALC_BENCHMARKS "Build optional calc benchmark executables" OFF) set(QT_VERSION "6" CACHE STRING "What major version of Qt") set(QT_VERSIONS_SUPPORTED 6) set_property(CACHE QT_VERSION PROPERTY STRINGS 6) if(NOT QT_VERSION IN_LIST QT_VERSIONS_SUPPORTED) message(FATAL_ERROR "Qt version must be one of ${QT_VERSIONS_SUPPORTED}") endif() add_subdirectory(thirdparty) add_subdirectory(utilities) add_subdirectory(avogadro) if(ENABLE_TESTING) add_subdirectory(tests) endif() option(BUILD_DOCUMENTATION "Build project documentation" OFF) if(BUILD_DOCUMENTATION) add_subdirectory(docs) endif() if(USE_PYTHON) add_subdirectory(python) endif() # SKBUILD is set for binary wheel if (NOT SKBUILD) install( FILES README.md CONTRIBUTING.md LICENSE DESTINATION "${INSTALL_DOC_DIR}/avogadrolibs") endif() # After all add_subdirectory calls, so the list of plugins is complete: get_property(AvogadroLibs_PLUGINS GLOBAL PROPERTY AvogadroLibs_PLUGINS) get_property(AvogadroLibs_STATIC_PLUGINS GLOBAL PROPERTY AvogadroLibs_STATIC_PLUGINS) configure_file(${AvogadroLibs_SOURCE_DIR}/cmake/CTestCustom.cmake.in ${AvogadroLibs_BINARY_DIR}/CTestCustom.cmake) configure_file("${AvogadroLibs_SOURCE_DIR}/cmake/AvogadroLibsConfig.cmake.in" "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfig.cmake" @ONLY) configure_file("${AvogadroLibs_SOURCE_DIR}/cmake/AvogadroLibsConfigVersion.cmake.in" "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfigVersion.cmake" @ONLY) # SKBUILD is set for binary wheel if (NOT SKBUILD) install(FILES "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfig.cmake" "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfigVersion.cmake" "${CMAKE_CURRENT_SOURCE_DIR}/cmake/Findlibmsym.cmake" DESTINATION "${INSTALL_LIBRARY_DIR}/cmake/avogadrolibs") install(EXPORT "AvogadroLibsTargets" NAMESPACE Avogadro:: DESTINATION "${INSTALL_LIBRARY_DIR}/cmake/avogadrolibs") endif() OpenChemistry-avogadrolibs-ceb949f/CODE_OF_CONDUCT.md000066400000000000000000000062411516317240700222740ustar00rootroot00000000000000# Contributor Covenant Code of Conduct ## Our Pledge In the interest of fostering an open and welcoming environment, we as contributors and maintainers pledge to making participation in our project and our community a harassment-free experience for everyone, regardless of age, body size, disability, ethnicity, gender identity and expression, level of experience, nationality, personal appearance, race, religion, or sexual identity and orientation. ## Our Standards Examples of behavior that contributes to creating a positive environment include: * Using welcoming and inclusive language * Being respectful of differing viewpoints and experiences * Gracefully accepting constructive criticism * Focusing on what is best for the community * Showing empathy towards other community members Examples of unacceptable behavior by participants include: * The use of sexualized language or imagery and unwelcome sexual attention or advances * Trolling, insulting/derogatory comments, and personal or political attacks * Public or private harassment * Publishing others' private information, such as a physical or electronic address, without explicit permission * Other conduct which could reasonably be considered inappropriate in a professional setting ## Our Responsibilities Project maintainers are responsible for clarifying the standards of acceptable behavior and are expected to take appropriate and fair corrective action in response to any instances of unacceptable behavior. Project maintainers have the right and responsibility to remove, edit, or reject comments, commits, code, wiki edits, issues, and other contributions that are not aligned to this Code of Conduct, or to ban temporarily or permanently any contributor for other behaviors that they deem inappropriate, threatening, offensive, or harmful. ## Scope This Code of Conduct applies both within project spaces and in public spaces when an individual is representing the project or its community. Examples of representing a project or community include using an official project e-mail address, posting via an official social media account, or acting as an appointed representative at an online or offline event. Representation of a project may be further defined and clarified by project maintainers. ## Enforcement Instances of abusive, harassing, or otherwise unacceptable behavior may be reported by contacting the project team at avogadro-devel@lists.sourceforge.net. The project team will review and investigate all complaints, and will respond in a way that it deems appropriate to the circumstances. The project team is obligated to maintain confidentiality with regard to the reporter of an incident. Further details of specific enforcement policies may be posted separately. Project maintainers who do not follow or enforce the Code of Conduct in good faith may face temporary or permanent repercussions as determined by other members of the project's leadership. ## Attribution This Code of Conduct is adapted from the [Contributor Covenant][homepage], version 1.4, available at [http://contributor-covenant.org/version/1/4][version] [homepage]: http://contributor-covenant.org [version]: http://contributor-covenant.org/version/1/4/ OpenChemistry-avogadrolibs-ceb949f/CONTRIBUTING.md000066400000000000000000000237641516317240700217370ustar00rootroot00000000000000# Contributing Avogadro welcomes new development and ideas! We are an open community, made better by all of us. If you're an Avogadro user who wants to give back, a great place to start is supporting your fellow users on the [Avogadro Forum](https://discuss.avogadro.cc/). Questions of all levels are posted, and you may find that there are some for which your experience is very valuable! If you find a bug or have a feature suggestion, please take a moment to submit a description to the [GitHub Tracker](https://github.com/openchemistry/avogadrolibs/issues/), which helps as an open database of issues and suggestions as the code is developed. While there are several different GitHub repositories for the project, we will move issues around if they better fit a particular component. For development of Avogadro itself, the [Avogadro Forum](https://discuss.avogadro.cc/) has sections for discussing ideas, planned directions, work in progress, etc. This includes both the C++ libraries and Python scripts and utilities. ## Contributing Code Our project uses the standard GitHub pull request process for code review and integration. Please check our [development][Development] guide for more details on developing and contributing to the project. The [GitHub issue tracker](https://github.com/openchemistry/avogadrolibs/issues) can be used to report bugs, make feature requests, etc. The best way to coordinate development, get support, and offer feedback is through the [Avogadro Discussion forum](https://discuss.avogadro.cc/) If you are new to Git, the Software Carpentry's [Version Control with Git](https://swcarpentry.github.io/git-novice/) tutorial is a good place to start. More learning resources are listed in the [GitHub Learning Resources] (https://help.github.com/en/github/getting-started-with-github/git-and-github-learning-resources) 1. Make sure you have a free [GitHub](https://github.com/) account. To increase the security of your account, we strongly recommend that you configure [two-factor authentication](https://docs.github.com/en/github/authenticating-to-github/securing-your-account-with-two-factor-authentication-2fa). Additionally, you may want to [sign your commits](https://docs.github.com/en/github/authenticating-to-github/managing-commit-signature-verification). We will not accept commits without your full name in the signature for proper attribution and citation. Please do not submit (semi-)anonymous contributions. 2. Fork the [OpenChemistry repository](https://github.com/openchemistry/openchemistry) on GitHub to make your changes. To keep your copy up to date with respect to the main repository, you need to frequently [sync your fork](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests/syncing-a-fork): In general, most changes occur in the `avogadrolibs` repository, with some fewer changes in the `avogadroapp` repository too. ``` git remote add upstream https://github.com/openchemistry/avogadrolibs git fetch upstream git checkout dev git merge upstream/dev ``` 3. Build OpenChemistry and `avogadrolibs`. You will find full instructions on [building from source code](http://two.avogadro.cc/install/build.html) on the Avogadro2 website. 4. Avogadro contains dozens of tests of different types and complexity and running each is difficult and probably not reasonable on your workstation. Most will be run as part of our Continuous Integration as part of a pull request. If possible, also try to add new tests for the features added or bugs fixed by your pull request. Developers reviewing your pull request will be happy to help you add or run the relevant tests as part of the pull request review process. 5. Write a useful and properly formatted commit message. Follow [these guidelines and template](https://git-scm.com/book/en/v2/Distributed-Git-Contributing-to-a-Project#_commit_guidelines), in particular start your message with a short imperative sentence on a single line, possibly followed by a blank line and a more detailed explanation. In the detailed explanation it's good to include relevant external references (e.g. GitHub issue fixed) using full URLs, and errors or tracebacks the commit is supposed to fix. You can use the Markdown syntax for lists and code highlighting, wrapping the explanation text at 72 characters when possible. 6. Commit and push your changes to your [fork](https://help.github.com/en/github/using-git/pushing-commits-to-a-remote-repository). 7. Open a [pull request](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests/creating-a-pull-request) with these changes. Your pull request message ideally should include: * Why you made the changes (e.g. references to GitHub issues being fixed). * A description of the implementation of the changes. * How to test the changes, if you haven't included specific tests already. 8. The pull request should pass all the continuous integration tests which are automatically started by GitHub. 9. Your pull request will be handled by code review and the continuous integration tests. ## AI Usage We understand that many people are using AI coding tools such as ChatGPT, Claude, Copilot, Gemin, etc. For Avogadro, code needs to be **correct** particularly for science-related topics. The force fields, the molecular dynamics, molecular surfaces, orbitals, etc. needs substantial human intervention and review. We are inspired in part by ["the five levels](https://www.danshapiro.com/blog/2026/01/the-five-levels-from-spicy-autocomplete-to-the-software-factory/) of use of AI coding tools, as described by Dan Shapiro. 0. **Spicy autocomplete**, aka original GitHub Copilot or copying and pasting snippets from ChatGPT. 1. The **coding intern**, writing unimportant snippets and boilerplate with full human review. 2. The **junior developer**, pair programming with the model but still reviewing every line. 3. The **developer**. Most code is generated by AI, and you take on the role of full-time code reviewer. 4. The **engineering team**. You're more of an engineering manager or product/program/project manager. You collaborate on specs and plans, the agents do the work. 5. The **dark software factory**, like a factory run by robots where the lights are out because robots don't need to see. Our policy is that "**levels 0 and 1 are probably fine**" and further levels are not. Several useful examples: - using an AI tool to summarize code or provide examples (e.g., to help learn GLSL shaders) is fine, provided that any contributed code is implemented by a human. - discussing a high-level plan that's implemented by humans / level 0 seems okay, e.g., "can you help me plan mechanisms to provide a simple security sandbox for scripts. What are some pros and cons of the different approaches?" - using various AI tools to *help* code review (e.g., [CodeRabbit](https://discuss.avogadro.cc/t/coderabbit-ai-reviews/7249) seems useful but does not replace human review) - using an AI tool to guide debugging / bug fixing -- that's implemented by humans (e.g. "there seems to be a race condition in the properties dialog during vibration, can you suggest some possible solutions?") > [!IMPORTANT] > We reserve the right to reject contributions that seem like they were generated mostly by an ML tool, and code review will continue, particularly for any chemistry-specific or mathematical components. If you have questions, please ask on [our forum](https://discuss.avogadro.cc/) ## Coding Conventions ### C++ Features * Don't use exceptions or asserts - Avogadro is production code and should never crash * Prefer solutions from the Qt library over Boost/others in Qt dependent code * In Avogadro use the C++11 or C++17 features where necessary, they fall back to Boost on older compilers * Be careful about using newer language features, since Avogadro runs on many different compilers and platforms. Visual C++ and Clang may not support every feature in GCC. * Minimize dependencies on third party libraries, think carefully before adding more. If in doubt, please ask. * Use templates where they make sense ### Casting * Avoid C-style casts, prefer C++ (static_cast, dynamic_cast, const_cast, reinterpret_cast) * For Qt classes, and Qt derived classes prefer qobject_cast over dynamic_cast ### Aesthetics * Prefer enums to define constants over static const int or defines * Prefer verbose argument names in headers * Most IDEs show the argument names in their autocompletion * It looks better in the generated documentation * Poor style making people guess what an argument is for * Avoid abbreviations, as they are often ambiguous and we can afford the extra bytes * Please use comments and docstrings frequently. You will appreciate it yourself when looking back over code. It may make sense now, but in a few weeks or months, you may not remember why you wrote that particular implementation. (Let alone reading other people's code in a large project.) For more on [Coding Style](http://two.avogadro.cc/contrib/style.html) see the [style guide](http://two.avogadro.cc/contrib/style.html) which is enforced through `clang-format` which runs as part of our continuous integration. ## A Quick Note About Plugins For the most part, Avogadro plugins should be published to your own repository. Examples: * Input Generators: * Example Commands: * cclib Import: * Nanocar Builder: * ASE: * RDKit: * GenIce: * SciKitNano: [Development]: http://two.avogadro.cc/contrib/code.html "Development guide" [Wiki]: http://wiki.openchemistry.org/ "Open Chemistry wiki" [Doxygen]: http://two.avogadro.cc/api/index.html "API documentation" OpenChemistry-avogadrolibs-ceb949f/CTestConfig.cmake000066400000000000000000000003761516317240700226520ustar00rootroot00000000000000set(CTEST_PROJECT_NAME "AvogadroLibs") set(CTEST_NIGHTLY_START_TIME "23:59:59 UTC") set(CTEST_DROP_METHOD "http") set(CTEST_DROP_SITE "cdash.openchemistry.org") set(CTEST_DROP_LOCATION "/submit.php?project=AvogadroLibs") set(CTEST_DROP_SITE_CDASH TRUE) OpenChemistry-avogadrolibs-ceb949f/LICENSE000066400000000000000000000027451516317240700205070ustar00rootroot00000000000000Copyright (c) 2011-2020, Kitware, Inc. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. OpenChemistry-avogadrolibs-ceb949f/PRIVACY.md000066400000000000000000000061711516317240700211360ustar00rootroot00000000000000 # Privacy Policy This privacy policy applies to the Avogadro application (hereby referred to as "Application") that was created by the Avogadro Project (hereby referred to as "Service Provider") as an Open Source service. This service is intended for use "AS IS". **What information does the Application obtain and how is it used?** The Application does not obtain any information when you download and use it. Registration is not required to use the Application. **Does the Application collect precise real time location information of the device?** This Application does not collect precise information about the location of your device. **Do third parties see and/or have access to information obtained by the Application?** Since the Application does not collect any information, no data is shared with third parties. **What are my opt-out rights?** You can stop all collection of information by the Application easily by uninstalling it. You may use the standard uninstall processes as may be available as part of your device. **Children** The Application is not used to knowingly solicit data from or market to children under the age of 13. The Service Provider does not knowingly collect personally identifiable information from children. The Service Provider encourages all children to never submit any personally identifiable information through the Application and/or Services. The Service Provider encourage parents and legal guardians to monitor their children's Internet usage and to help enforce this Policy by instructing their children never to provide personally identifiable information through the Application and/or Services without their permission. If you have reason to believe that a child has provided personally identifiable information to the Service Provider through the Application and/or Services, please contact the Service Provider (https://discuss.avogadro.cc/) so that they will be able to take the necessary actions. You must also be at least 16 years of age to consent to the processing of your personally identifiable information in your country (in some countries we may allow your parent or guardian to do so on your behalf). **Security** The Service Provider is concerned about safeguarding the confidentiality of your information. However, since the Application does not collect any information, there is no risk of your data being accessed by unauthorized individuals. **Changes** This Privacy Policy may be updated from time to time for any reason. The Service Provider will notify you of any changes to their Privacy Policy by updating this page with the new Privacy Policy. You are advised to consult this Privacy Policy regularly for any changes, as continued use is deemed approval of all changes. 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It offers flexible rendering and a powerful plugin architecture. Core features and goals of the Avogadro project include: * Open-source, distributed under the liberal 3-clause BSD license * Cross-platform, with builds on Linux, Mac OS X and Windows * An intuitive interface designed to be useful to the whole community * Fast and efficient, embracing the latest technologies * Extensible, making extensive use of a plugin architecture * Flexible, supporting a range of chemical data formats and packages Avogadro 2 began as a rewrite of the original [Avogadro 1.x][Avogadro1], which is now unsupported. The successor is faster, better, much more stable, and [more feature-rich] (https://two.avogadro.cc/docs/whats-new-in-avogadro-2/). Avogadro's codebase is split across a [libraries repository](https://github.com/openchemistry/avogadrolibs) and an [application repository](https://github.com/openchemistry/avogadroapp). The new code architecture provides a high-performance rendering engine, modern code development, and significantly improved speed and stability. Avogadro is being developed as part of the [Open Chemistry][OpenChemistry] project by an open community, which was started at [Kitware][Kitware] as an open-source community project. ## Installing For the most up-to-date experience use the continuous builds prepared by GitHub actions for: * [Windows](https://github.com/OpenChemistry/avogadrolibs/releases/download/continuous/Avogadro2-continuous-win64.exe) * [macOS Apple Silicon](https://github.com/OpenChemistry/avogadrolibs/releases/download/continuous/Avogadro2-continuous-arm64.dmg) * [macOS Apple Silicon](https://github.com/OpenChemistry/avogadrolibs/releases/download/continuous/Avogadro2-continuous.dmg) * [Linux (AppImage)](https://github.com/OpenChemistry/avogadrolibs/releases/download/continuous/Avogadro2-x86_64.AppImage) We also maintain a [`beta` Flatpak](https://two.avogadro.cc/install/flatpak.html#install-flatpak-beta) for Linux that is updated with the lastest changes every week or two. For full releases and an overview of all available ways to obtain Avogadro see the [overview][Install] on the Avogadro website. Binaries and the source code for each release can be found on the [GitHub releases page](https://github.com/OpenChemistry/avogadrolibs/releases). If you would like to build from source we recommend that you follow our [build guide][Build]. ## User guide Our [user documentation](https://two.avogadro.cc/docs/) can be found on the Avogadro website, as well as a brief guide to [getting started](https://two.avogadro.cc/docs/getting-started/). ## Contributing We welcome *all* kinds of contributions as a community project, from bug reports, feature suggestions, language translations, Python plugins, and C++ code development. Our project uses the standard GitHub pull request process for code review and integration. Please check our [contribution][Contribution] guide for more details on developing and contributing to the project. The [GitHub issue tracker](https://github.com/openchemistry/avogadrolibs/issues/) can be used to report bugs, make feature requests, etc. Our API is [documented online][API] with updated documentation generated nightly. To introduce yourself, ask for help, or general discussion, we welcome everyone to our [forum](https://discuss.avogadro.cc/) Contributors Hall of Fame: [Avogadro2Logo]: https://raw.githubusercontent.com/OpenChemistry/avogadrolibs/master/docs/avogadro2_64.png "Avogadro2" [OpenChemistry]: https://openchemistry.org/ "Open Chemistry Project" [OpenChemistryLogo]: https://raw.githubusercontent.com/OpenChemistry/avogadrolibs/master/docs/OpenChemistry128.png "Open Chemistry" [Kitware]: https://kitware.com/ "Kitware, Inc." [Avogadro1]: https://avogadro.cc/ "Avogadro 1" [Build]: https://two.avogadro.cc/develop/build.html "Building Avogadro" [Install]: https://two.avogadro.cc/install/ "Installing Avogadro" [Contribution]: https://two.avogadro.cc/contrib/ "Contribution guide" [API]: https://two.avogadro.cc/develop/classlist.html "API documentation" OpenChemistry-avogadrolibs-ceb949f/SECURITY.md000066400000000000000000000016521516317240700212670ustar00rootroot00000000000000# Security Policy ## Supported Versions We support security updates on the most recent release and current nightly snapshots. We will work with distributions (e.g., Ubuntu, FreeBSD, etc.) to provide security patches for widely used long-term-support OS. Going forward, we will indicate particular releases for long-term-support, although we intend to keep to a frequent release schedule. | Version | Supported | | ------- | ------------------ | | 2.0.x | :white_check_mark: | | 1.103.x | :white_check_mark: | | < 1.103 | :x: | ## Reporting a Vulnerability We currently support private security vulnerability reporting through our [GitHub](https://docs.github.com/en/code-security/security-advisories/guidance-on-reporting-and-writing/privately-reporting-a-security-vulnerability) pages. We will work to verify the security vulnerability within 14 days and a patch or new release within 30 days of reporting. OpenChemistry-avogadrolibs-ceb949f/STYLE.md000066400000000000000000000131251516317240700207160ustar00rootroot00000000000000# clang-format We use [clang-format][clang-format] to keep formatting in the code base consistent. Please run clang-format on your patches before submitting. clang-format ships with a Python script ```clang/tools/clang-format-diff.py``` that can be used to reformat patches. For example the following command will reformat all the lines in the latest commit ```shell git diff -U0 HEAD^ | clang-format-diff.py -i -p1 ``` clang-format also provides [git-clang-format][git-clang-format], a script that more closely integrates with git. If you add this script to your path you can using the following command to reformat all the lines in the latest commit. ```shell git clang-format HEAD~1 ``` ## clang-format-diff locations by platform The exact location of the Python script varies by platform/distro. The table below provides the location on some common platform/distro's | Platform/Distro. | Location | | ---------------- |:-------------------------------------:| | Arch Linux | /usr/share/clang/clang-format-diff.py | | Ubuntu | /usr/bin/clang-format-diff-3.8 | The script can also be downloaded [here][clang-format-diff]. ## Code style This project is developed primarily in C++ and Python. Please follow these code style guidelines when contributing code to our project. * Alphabetize includes * Use #include "xxx" for local includes, #include \ for external includes. * Do not add comment separators before function definitions. * Split long lines, when reasonable, to avoid going over 80 characters per line. * Add a space after the commas in parameter lists, e.g., function(a, b, c), not function(a,b,c) * Add spaces between operators, e.g. 5 - 2, not 5-2. * For class names, use CamelCase, starting their names with an upper-case letter. * For local variables and function names, use camelCase, starting names with a lower-case letter. * For member variables, prefix them with m\_, i.e. m\_camelCase, starting the name with a lower-case letter. * For comments, add a space between // and the beginning of the comment, e.g., * // A comment * \# Python comment * Use 2 spaces when indenting C++ code, 4 spaces for Python code. * Do not indent inside namespaces, e.g., ```c++ namespace Avogadro { namespace Core { void foo(); } } ``` * Curly braces marking the start and end of a code block should be on separate lines and aligned vertically with the statement preceding the block, e.g., ```c++ if (condition) { statement; } for (int i = 0; i < n; ++i) { statement; } ``` * Assume that C++11 features are available, and prefer them over legacy macros, defines, etc. A few examples follow, but are not exhaustive. * Use override to specify member overrides in derived classes. * Set default values of member variables directly in definitions. * Use nullptr instead of NULL. ### C++ Features * Don't use exceptions * Prefer solutions from the Qt library over others in Qt dependent code * Minimize dependencies on third party libraries, think carefully before adding more * Use templates where they make sense ### Including Headers * In public headers, always use this form to include project headers: #include * Prefer declaration of types in public headers over including headers for the type ```c++ namespace Avogadro { class MyClass; } ``` * In source files include specialized headers first, then dependency headers, then generic headers ```c++ #include "myapiheader.h" // Our header #include // Avogadro header from a different module #include // Qt header #include // STL ``` * If you need to include the export header for the module do it as the first include ```c++ #include "avogadrorenderingexport.h" ``` * Private headers are denoted by _p.h endings, and should not be included in public headers * Use the Qt module and camel-cased header * Never include Qt module headers such as QtGui, instead include the header for the class being used ```c++ #include // WRONG (module header)! #include // Correct ``` ### Namespaces * Avogadro uses nested namespaces * Everything is inside the Avogadro namespace * Code in the core module is in the Avogadro::Core namespace * Don't overspecify, i.e. code in the Avogadro namespace doesn't need to use Avogadro:: * Qt signals and slots are one exception where MOC often needs a little help * Never use using inside a public header * Only pull in specific symbols in source files, i.e. using Avogadro::Core::Molecule; ### Casting * Avoid C-style casts, prefer C++ (static_cast, dynamic_cast, const_cast, reinterpret_cast) * For Qt classes, and Qt derived classes prefer qobject_cast over dynamic_cast ### Aesthetics * Prefer enums to define constants over static const int or defines * Prefer verbose argument names in headers * Most IDEs show the argument names in their autocompletion * It looks better in the generated documentation * Poor style making people guess what an argument is for * Avoid abbreviations, as they are often ambiguous and we can afford the extra bytes [clang-format]: http://llvm.org/releases/3.8.0/tools/clang/docs/ClangFormatStyleOptions.html [git-clang-format]: https://llvm.org/svn/llvm-project/cfe/trunk/tools/clang-format/git-clang-format [flake8]: https://pypi.python.org/pypi/flake8 [clang-format-diff]: https://llvm.org/svn/llvm-project/cfe/trunk/tools/clang-format/clang-format-diff.py OpenChemistry-avogadrolibs-ceb949f/avogadro/000077500000000000000000000000001516317240700212745ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/CMakeLists.txt000066400000000000000000000050621516317240700240370ustar00rootroot00000000000000include(GenerateExportHeader) # May want to adjust the name, this more performs boilerplate library stuff now. function(avogadro_add_library name) # Add an alias target to expose to other targets. add_library(Avogadro::${name} ALIAS ${name}) # Use the new AUTOMOC support for Qt libraries (CMake 2.8.6). if(${name} MATCHES "^Qt") set_target_properties(${name} PROPERTIES AUTOMOC TRUE) endif() if(BUILD_SHARED_LIBS) set_target_properties(${name} PROPERTIES OUTPUT_NAME Avogadro${name} VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}" SOVERSION ${AvogadroLibs_VERSION_MAJOR}) endif() string(TOLOWER ${name} _lower_name) string(TOUPPER ${name} _upper_name) # Generate the necessary export headers. generate_export_header(${name} BASE_NAME AVOGADRO${_upper_name} EXPORT_FILE_NAME avogadro${_lower_name}export.h) target_sources(${name} PUBLIC FILE_SET HEADERS FILES "${CMAKE_CURRENT_BINARY_DIR}/avogadro${_lower_name}export.h") # Set up the build and install include directories for the target. target_include_directories(${name} PUBLIC "$" "$" "$" "$") # Install the target and its headers. install(TARGETS ${name} EXPORT "AvogadroLibsTargets" FILE_SET HEADERS DESTINATION "${INSTALL_INCLUDE_DIR}/avogadro" RUNTIME DESTINATION "${INSTALL_RUNTIME_DIR}" LIBRARY DESTINATION "${INSTALL_LIBRARY_DIR}" ARCHIVE DESTINATION "${INSTALL_ARCHIVE_DIR}" INCLUDES DESTINATION "${INSTALL_INCLUDE_DIR}") endfunction() # Simple wrapper to collect boilerplate for adding headers to targets. function(avogadro_headers _name) target_sources(${_name} PUBLIC FILE_SET HEADERS BASE_DIRS ${AvogadroLibs_SOURCE_DIR}/avogadro ${AvogadroLibs_BINARY_DIR}/avogadro FILES ${ARGN}) endfunction() add_subdirectory(core) add_subdirectory(calc) add_subdirectory(io) add_subdirectory(quantumio) # SKBUILD is set for binary wheel if(NOT SKBUILD) add_subdirectory(command) endif() if(USE_OPENGL) add_subdirectory(rendering) endif() if(USE_QT) if (NOT MSVC) set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-deprecated-declarations") endif() add_subdirectory(qtgui) if(USE_OPENGL) add_subdirectory(qtopengl) endif() # Add unconditionally as this talks to MoleQueue, but doesn't depend on it. add_subdirectory(molequeue) add_subdirectory(qtplugins) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/000077500000000000000000000000001516317240700221765ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/CMakeLists.txt000066400000000000000000000007471516317240700247460ustar00rootroot00000000000000add_library(Calc) avogadro_headers(Calc chargemodel.h chargemanager.h defaultmodel.h energycalculator.h energyoptimizer.h energymanager.h gradients.h lennardjones.h uff.h uffdata.h ) target_sources(Calc PRIVATE chargemodel.cpp chargemanager.cpp defaultmodel.cpp energycalculator.cpp energyoptimizer.cpp energymanager.cpp lennardjones.cpp uff.cpp ) avogadro_add_library(Calc) target_link_libraries(Calc PUBLIC Avogadro::Core PRIVATE cppoptlib) OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/chargemanager.cpp000066400000000000000000000161441516317240700254740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "chargemanager.h" #include "chargemodel.h" #include "defaultmodel.h" namespace Avogadro::Calc { // Helper function to convert a string to lowercase // to register all lower-case identifiers std::string toLower(const std::string& str) { std::string result = str; std::transform(result.begin(), result.end(), result.begin(), ::tolower); return result; } ChargeManager& ChargeManager::instance() { static ChargeManager instance; return instance; } void ChargeManager::appendError(const std::string& errorMessage) { m_error += errorMessage + "\n"; } bool ChargeManager::registerModel(ChargeModel* model) { return instance().addModel(model); } bool ChargeManager::unregisterModel(const std::string& identifier) { return instance().removeModel(identifier); } bool ChargeManager::addModel(ChargeModel* model) { if (model == nullptr) { appendError("Supplied model was null."); return false; } if (m_identifiers.find(model->identifier()) != m_identifiers.end()) { appendError("Model " + model->identifier() + " already loaded."); return false; } // If we got here then the format is unique enough to be added. size_t index = m_models.size(); m_models.push_back(model); std::string lowerId = toLower(model->identifier()); m_identifiers[lowerId] = index; m_identifierToName[lowerId] = model->name(); return true; } bool ChargeManager::removeModel(const std::string& identifier) { std::string lowerId = toLower(identifier); auto ids = m_identifiers[lowerId]; m_identifiers.erase(lowerId); m_identifierToName.erase(lowerId); ChargeModel* model = m_models[ids]; if (model != nullptr) { m_models[ids] = nullptr; delete model; } return true; } std::string ChargeManager::nameForModel(const std::string& identifier) const { std::string lowerId = toLower(identifier); auto it = m_identifierToName.find(lowerId); if (it == m_identifierToName.end()) { return identifier; } return it->second; } ChargeManager::ChargeManager() { // add any default models here (EEM maybe?) } ChargeManager::~ChargeManager() { // Delete the models that were loaded. for (auto& m_model : m_models) { delete m_model; } m_models.clear(); } std::set ChargeManager::identifiersForMolecule( const Core::Molecule& molecule) const { // start with the types already in the molecule std::set identifiers = molecule.partialChargeTypes(); // check our models for compatibility for (auto* m_model : m_models) { if (m_model == nullptr) continue; // We check that every element in the molecule // is handled by the model auto mask = m_model->elements() & molecule.elements(); if (mask.count() == molecule.elements().count()) identifiers.insert(m_model->identifier()); // this one will work } return identifiers; } // order of preference for the built-in methods const std::vector METHOD_TIER_LIST = { "eem", "mmff94", "gasteiger" }; std::string ChargeManager::recommendedModel( const Core::Molecule& molecule) const { auto identifiers = identifiersForMolecule(molecule); // first, we look through the identifiers to see if there's // something not in the built-in list // i.e., read from a file or installed by a user, try that first for (auto option : identifiers) { if (std::find(METHOD_TIER_LIST.begin(), METHOD_TIER_LIST.end(), option) == METHOD_TIER_LIST.end()) return option; } // if not, we look through the built-in list in order // of preference (e.g., eem > mmff94 > gasteiger) for (auto option : METHOD_TIER_LIST) { if (identifiers.find(option) != identifiers.end()) { return option; } } return ""; } MatrixX ChargeManager::partialCharges(const std::string& identifier, Core::Molecule& molecule) const { // first check if the type is found in the molecule // (i.e., read from a file not computed dynamically) auto molIdentifiers = molecule.partialChargeTypes(); std::string lowerId = toLower(identifier); if (molIdentifiers.find(lowerId) != molIdentifiers.end()) { return molecule.partialCharges(lowerId); } // otherwise go through our list if (m_identifiers.find(lowerId) == m_identifiers.end()) { MatrixX charges(molecule.atomCount(), 1); // we have to return something, so zeros return charges; } const auto id = m_identifiers[lowerId]; const ChargeModel* model = m_models[id]; return model->partialCharges(molecule); } Vector3 ChargeManager::dipoleMoment(const std::string& identifier, const Core::Molecule& molecule) const { // If the type is found in the molecule // we'll use the DefaultModel to handle the dipole moment auto molIdentifiers = molecule.partialChargeTypes(); std::string lowerId = toLower(identifier); if (molIdentifiers.find(lowerId) != molIdentifiers.end()) { DefaultModel model(lowerId); // so it knows which charges to use return model.dipoleMoment(molecule); } // otherwise go through our list if (m_identifiers.find(lowerId) == m_identifiers.end()) { return Vector3(0.0, 0.0, 0.0); } if (molecule.atomCount() < 2) { return Vector3(0.0, 0.0, 0.0); } const auto id = m_identifiers[lowerId]; const ChargeModel* model = m_models[id]; return model->dipoleMoment(molecule); } double ChargeManager::potential(const std::string& identifier, Core::Molecule& molecule, const Vector3& point) const { // If the type is found in the molecule // we'll use the DefaultModel to handle the potential auto molIdentifiers = molecule.partialChargeTypes(); if (molIdentifiers.find(identifier) != molIdentifiers.end()) { DefaultModel model(identifier); // so it knows which charges to use return model.potential(molecule, point); } // otherwise go through our list if (m_identifiers.find(identifier) == m_identifiers.end()) { return 0.0; } const auto id = m_identifiers[identifier]; const ChargeModel* model = m_models[id]; return model->potential(molecule, point); } Core::Array ChargeManager::potentials( const std::string& identifier, Core::Molecule& molecule, const Core::Array& points) const { // As above auto molIdentifiers = molecule.partialChargeTypes(); if (molIdentifiers.find(identifier) != molIdentifiers.end()) { DefaultModel model(identifier); // so it knows which charges to use return model.potentials(molecule, points); } if (m_identifiers.find(identifier) == m_identifiers.end()) { Core::Array potentials(points.size(), 0.0); return potentials; } const auto id = m_identifiers[identifier]; const ChargeModel* model = m_models[id]; return model->potentials(molecule, points); } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/chargemanager.h000066400000000000000000000131211516317240700251310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_CHARGEMANAGER_H #define AVOGADRO_CALC_CHARGEMANAGER_H #include "avogadrocalcexport.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { class ChargeModel; /** * @class ChargeManager chargemanager.h * * @brief Class to manage registration, searching and creation of partial charge * models. * @author Geoffrey R. Hutchison * * The charge manager is a singleton class that handles the runtime * registration, search, creation and eventual destruction of electrostatics * models. It can be used to gain a listing of available models, register new * models, etc. * * All electrostatics can take place independent of this code, but for automated * registration and look up, this is the preferred API. It is possible to use * the convenience API without ever dealing directly with a model class. */ class AVOGADROCALC_EXPORT ChargeManager { public: /** * Get the singleton instance of the charge manager. This instance should * not be deleted. */ static ChargeManager& instance(); /** * @brief Register a new charge model with the manager. * @param model An instance of the model to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ static bool registerModel(ChargeModel* model); /** * @brief Unregister a charge model from the manager. * @param identifier The identifier for the model to remove. * @return True on success, false on failure. */ static bool unregisterModel(const std::string& identifier); /** * Add the supplied @p model to the manager, registering its ID and other * relevant data for later lookup. The manager assumes ownership of the * supplied object. * @return True on success, false on failure. */ bool addModel(ChargeModel* model); /** * Remove the model with the identifier @a identifier from the manager. * @return True on success, false on failure. */ bool removeModel(const std::string& identifier); /** * Get a list of all loaded identifiers */ std::set identifiers() const; /** * @brief Get a list of models that work for this molecule. * * Includes partial charge types in the molecule itself (e.g., from a file) * This is probably the method you want to get a list for a user */ std::set identifiersForMolecule( const Core::Molecule& molecule) const; /** * @brief Get a recommended model for this molecule. * * This returns the identifier for a model that works, * given the charge, unit cell, spin states, etc. * @return The recommended model identifier */ std::string recommendedModel(const Core::Molecule& molecule) const; /** * @return the user-visible name of the model with the identifier @a * identifier */ std::string nameForModel(const std::string& identifier) const; /** * This method will calculate atomic partial charges and save them, * if the model is available (i.e., the molecule will change) * Note that some models do not have well-defined atomic partial charges * @return atomic partial charges for the molecule, or 0.0 if undefined */ MatrixX partialCharges(const std::string& identifier, Core::Molecule& mol) const; /** * Calculate the atomic partial charges and leave the molecule unchanged. * Note that some models do not have well-defined atomic partial charges * @return the dipole moment for the molecule, or 0.0 if undefined */ MatrixX partialCharges(const std::string& identifier, const Core::Molecule& mol) const; /** * @return the dipole moment for the molecule, or 0.0 if the model is not * available */ Vector3 dipoleMoment(const std::string& identifier, const Core::Molecule& mol) const; /** * @return the potential at the point for the molecule, or 0.0 if the model is * not available */ double potential(const std::string& identifier, Core::Molecule& mol, const Vector3& point) const; /** * @return the potentials at the point for the molecule, or an array of 0.0 if * the model is not available */ Core::Array potentials(const std::string& identifier, Core::Molecule& mol, const Core::Array& points) const; /** * Get any errors that have been logged when loading models. */ std::string error() const; private: using ChargeIdMap = std::map; ChargeManager(); ~ChargeManager(); ChargeManager(const ChargeManager&); // Not implemented. ChargeManager& operator=(const ChargeManager&); // Not implemented. /** * @brief Append warnings/errors to the error message string. * @param errorMessage The error message to append. */ void appendError(const std::string& errorMessage); std::vector m_models; mutable ChargeIdMap m_identifiers; mutable std::map m_identifierToName; std::string m_error; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_CHARGEMANAGER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/chargemodel.cpp000066400000000000000000000054251516317240700251620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "chargemodel.h" #include #include #include #include #include namespace Avogadro { using Core::Array; using Core::Molecule; namespace Calc { #ifndef M_PI constexpr double M_PI = 3.14159265358979323846; #endif Vector3 ChargeModel::dipoleMoment(const Molecule& mol) const { if (mol.atomCount() < 2) return Vector3(0.0, 0.0, 0.0); // default is to get the set of partial atomic charges // (some models might do something more sophisticated) const MatrixX charges = partialCharges(mol); // also get the positions of the atoms const Array positions = mol.atomPositions3d(); Vector3 dipole(0.0, 0.0, 0.0); if (static_cast(charges.rows()) != positions.size()) std::cout << "Error: charges " << charges.rows() << " != positions " << positions.size() << std::endl; for (Eigen::Index i = 0; i < charges.size(); ++i) dipole += charges(i, 0) * positions[i]; dipole *= 4.80320471257; // convert to Debye from electron-Angstrom return dipole; } double ChargeModel::potential(Molecule& mol, const Vector3& point) const { // default is to get the set of partial atomic charges const MatrixX charges = partialCharges(mol); // also get the positions of the atoms const Array positions = mol.atomPositions3d(); // @todo: this is naive and inefficient // calculate the atoms within a cutoff distance // and sum the potentials // note this is usually multithreaded by the caller // but more efficient methods can be implemented double potential = 0.0; for (unsigned int i = 0; i < charges.size(); ++i) { double distance = (positions[i] - point).norm(); if (distance > 0.01) { // drop small distances to avoid overflow potential += charges(i, 0) / distance; } } return potential / m_dielectric; } Array ChargeModel::potentials(Core::Molecule& mol, const Array& points) const { // This is naive and slow, but can be re-implemented by methods // for batching Array potentials(points.size(), 0.0); for (unsigned int i = 0; i < points.size(); ++i) potentials[i] = potential(mol, points[i]); return potentials; } void ChargeModel::appendError(const std::string& errorString, bool newLine) const { m_error += errorString; if (newLine) m_error += "\n"; } } // namespace Calc } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/chargemodel.h000066400000000000000000000101471516317240700246240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_CHARGEMODEL_H #define AVOGADRO_CALC_CHARGEMODEL_H #include "avogadrocalcexport.h" #include #include #include #include #include namespace Avogadro::Calc { /** * @class ChargeModel chargemodel.h * @brief General API for charge / electrostatics models * @author Geoffrey R. Hutchison * * This serves as the common base class for electrostatics models. * Many use atomic point charges, but we also allow for custom models * for Slater / Gaussian distributions, distributed electrostatics, * use of quantum mechanics, etc. * * Key methods are to determine either atomic partial charges or * electrostatic potentials at particular points in space. * * There is a default implementation for the electrostatic potential * at points in space, based on the atomic partial charges. If you * implement a different mechanism, you should override this method. */ class AVOGADROCALC_EXPORT ChargeModel { public: ChargeModel() = default; virtual ~ChargeModel() = default; /** * Create a new instance of the model. Ownership passes to the * caller. */ virtual ChargeModel* newInstance() const = 0; /** * @brief A unique identifier, used to retrieve models programmatically. * EEM2, NPA, etc. A runtime warning will be generated if the identifier * is not unique. */ virtual std::string identifier() const = 0; /** * @brief A user-visible name of the model (e.g., "Natural Population * Analysis") */ virtual std::string name() const = 0; /** * @brief Indicate if your method only treats a subset of elements * @return an element mask corresponding to the defined subset */ virtual Core::Molecule::ElementMask elements() const = 0; /** * Set the dielectric constant for the model. * @param dielectric constant. */ virtual void setDielectric(float dielectric) { m_dielectric = dielectric; }; /** * @return The dielectric constant. */ virtual float dielectric() const { return m_dielectric; } virtual MatrixX partialCharges(Core::Molecule& mol) const = 0; virtual MatrixX partialCharges(const Core::Molecule& mol) const = 0; /** * @brief Calculate the dipole moment of the molecule. * * Defaults to using the partial charges and atomic positions * to calculate the net dipole moment. * @return The dipole moment vector of the molecule */ virtual Vector3 dipoleMoment(const Core::Molecule& mol) const; /** * @brief Calculate the electrostatic potential at a particular point in * space. * @param mol The molecule to calculate the potential for. * @param point The point in space to calculate the potential at. * @return The electrostatic potential at the point. */ virtual double potential(Core::Molecule& mol, const Vector3& point) const; /** * @brief Calculate the electrostatic potential at multiple points * @param mol The molecule to calculate the potential for. * @param points The points in space to calculate the potential at. * @return The electrostatic potential at the points in an array. * * This method is used for batch calculation and defaults to simply * calculating each point at a time. Some methods work faster in batches. */ virtual Core::Array potentials( Core::Molecule& mol, const Core::Array& points) const; protected: /** * @brief Append an error to the error string for the model. * @param errorString The error to be added. * @param newLine Add a new line after the error string? */ void appendError(const std::string& errorString, bool newLine = true) const; private: mutable std::string m_error; float m_dielectric = 1.0f; }; } // namespace Avogadro::Calc #endif // AVOGADRO_CALC_CHARGEMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/defaultmodel.cpp000066400000000000000000000017241516317240700253530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "defaultmodel.h" #include #include namespace Avogadro::Calc { // Base class constructors are called automatically DefaultModel::DefaultModel(const std::string& id) : m_identifier(id) { // we don't know which elements are in the molecule // but we can just say all of them are okay // (because this method should work for any molecule) m_elements.set(); } MatrixX DefaultModel::partialCharges(Core::Molecule& mol) const { return mol.partialCharges(m_identifier); } MatrixX DefaultModel::partialCharges(const Core::Molecule& mol) const { return mol.partialCharges(m_identifier); } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/defaultmodel.h000066400000000000000000000043121516317240700250140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_DEFAULTMODEL_H #define AVOGADRO_CALC_DEFAULTMODEL_H #include "avogadrocalcexport.h" #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { /** * @class DefaultModel defaultmodel.h * @brief Default charge model for file-provided atomic charges * @author Geoffrey R. Hutchison * * This is a default model for using atomic partial charges from a * file (e.g., quantum chemistry packages often provide Mulliken charges) * * The class */ class AVOGADROCALC_EXPORT DefaultModel : public ChargeModel { public: DefaultModel(const std::string& identifier = ""); ~DefaultModel() override = default; /** * Create a new instance of the file format class. Ownership passes to the * caller. */ DefaultModel* newInstance() const override { return new DefaultModel; } /** * @brief A unique identifier defined by the file */ std::string identifier() const override { return m_identifier; } /** * @brief Set the identifier */ virtual void setIdentifier(const std::string& identifier) { m_identifier = identifier; } /** * @brief We don't have any other name beyond the identifier in the file */ std::string name() const override { return m_identifier; } /** * @brief This default method is defined for whatever is in a molecule * @return all elements - technically not true, but we don't have the mol */ Core::Molecule::ElementMask elements() const override { return (m_elements); } /** * @brief Retrieve the relevant charges from the molecule for our defined type */ MatrixX partialCharges(Core::Molecule& mol) const override; MatrixX partialCharges(const Core::Molecule& mol) const override; protected: std::string m_identifier; Core::Molecule::ElementMask m_elements; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_CHARGEMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/energycalculator.cpp000066400000000000000000000255151516317240700262550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "energycalculator.h" #include "gradients.h" #include #include #include #include using Eigen::Vector3d; namespace Avogadro::Calc { namespace { struct FiniteDifferenceObjective { using ScalarType = Real; using VectorType = Eigen::VectorXd; explicit FiniteDifferenceObjective(EnergyCalculator* calculator_) : calculator(calculator_) { } ScalarType operator()(const VectorType& x) const { return calculator->value(x); } EnergyCalculator* calculator; }; } // namespace Real EnergyCalculator::evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) { if (grad != nullptr) { // Solvers may pass an uninitialized gradient buffer. // Ensure derived implementations can safely index into grad. if (grad->rows() != x.rows()) grad->resize(x.rows()); grad->setZero(); gradient(x, *grad); } return value(x); } void EnergyCalculator::finiteGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad, int accuracy) { const int accuracyLevel = std::clamp(accuracy, 0, 3); FiniteDifferenceObjective objective(this); cppoptlib::utils::ComputeFiniteGradient(objective, x, &grad, accuracyLevel); } void EnergyCalculator::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { finiteGradient(x, grad); // clean and handle frozen atoms cleanGradients(grad); // add any constraints constraintGradients(x, grad); } void EnergyCalculator::hessian(const Eigen::VectorXd& x, Eigen::MatrixXd& hess) { finiteHessian(x, hess); } void EnergyCalculator::finiteHessian(const Eigen::VectorXd& x, Eigen::MatrixXd& hess, int accuracy) { const int accuracyLevel = std::clamp(accuracy, 0, 1); FiniteDifferenceObjective objective(this); cppoptlib::utils::ComputeFiniteHessian(objective, x, &hess, accuracyLevel); } void EnergyCalculator::cleanGradients(Eigen::VectorXd& grad) { unsigned int size = grad.rows(); // check for overflows -- in case of divide by zero, etc. for (unsigned int i = 0; i < size; ++i) { if (!std::isfinite(grad[i])) { grad[i] = 0.0; } } // freeze any masked atoms or coordinates if (m_mask.rows() == size) grad = grad.cwiseProduct(m_mask); else if (m_mask.rows() > 0) std::cerr << "Error: mask size " << m_mask.rows() << " " << grad.rows() << std::endl; } void EnergyCalculator::appendError(const std::string& errorString, bool newLine) const { m_error += errorString; if (newLine) m_error += "\n"; } void EnergyCalculator::setConstraints( const std::vector& constraints) { m_distanceConstraints.clear(); m_angleConstraints.clear(); m_torsionConstraints.clear(); m_outOfPlaneConstraints.clear(); for (const auto& constraint : constraints) { switch (constraint.type()) { case Core::Constraint::DistanceConstraint: m_distanceConstraints.push_back(constraint); break; case Core::Constraint::AngleConstraint: m_angleConstraints.push_back(constraint); break; case Core::Constraint::TorsionConstraint: m_torsionConstraints.push_back(constraint); break; case Core::Constraint::OutOfPlaneConstraint: m_outOfPlaneConstraints.push_back(constraint); break; default: std::cerr << "Unknown constraint type: " << constraint.type() << std::endl; } } } std::vector EnergyCalculator::constraints() const { Index totalSize = m_distanceConstraints.size() + m_angleConstraints.size() + m_torsionConstraints.size() + m_outOfPlaneConstraints.size(); std::vector allConstraints; allConstraints.reserve(totalSize); for (const auto& constraint : m_distanceConstraints) allConstraints.push_back(constraint); for (const auto& constraint : m_angleConstraints) allConstraints.push_back(constraint); for (const auto& constraint : m_torsionConstraints) allConstraints.push_back(constraint); for (const auto& constraint : m_outOfPlaneConstraints) allConstraints.push_back(constraint); return allConstraints; } Real EnergyCalculator::constraintEnergies(const Eigen::VectorXd& x) { Real totalEnergy = 0.0; for (const auto& constraint : m_distanceConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size())) // shouldn't happen - invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vAB = vA - vB; const Real distance = vAB.norm(); const Real delta = distance - constraint.value(); // harmonic restraint totalEnergy += constraint.k() * delta * delta; } for (const auto& constraint : m_angleConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); const Index c = constraint.cIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size()) || (3 * c + 2 >= x.size())) // shouldn't happen, invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vC = x.segment<3>(3 * c); const Real angle = calculateAngle(vA, vB, vC); const Real delta = angle - constraint.value(); // harmonic restraint totalEnergy += constraint.k() * delta * delta; } for (const auto& constraint : m_torsionConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); const Index c = constraint.cIndex(); const Index d = constraint.dIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size()) || (3 * c + 2 >= x.size()) || (3 * d + 2 >= x.size())) // shouldn't happen, invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vC = x.segment<3>(3 * c); const Vector3d vD = x.segment<3>(3 * d); const Real angle = calculateDihedral(vA, vB, vC, vD); const Real delta = angle - constraint.value(); // harmonic restraint totalEnergy += constraint.k() * delta * delta; } for (const auto& constraint : m_outOfPlaneConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); const Index c = constraint.cIndex(); const Index d = constraint.dIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size()) || (3 * c + 2 >= x.size()) || (3 * d + 2 >= x.size())) // shouldn't happen, invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vC = x.segment<3>(3 * c); const Vector3d vD = x.segment<3>(3 * d); const Real angle = outOfPlaneAngle(vA, vB, vC, vD); const Real delta = angle - constraint.value(); // harmonic restraint totalEnergy += constraint.k() * delta * delta; } return totalEnergy; } void EnergyCalculator::constraintGradients(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { for (const auto& constraint : m_distanceConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size())) // shouldn't happen - invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vAB = vA - vB; const Real distance = vAB.norm(); const Real delta = distance - constraint.value(); const Real dE = constraint.k() * 2 * delta; grad.segment<3>(3 * a) += (dE * vAB) / distance; grad.segment<3>(3 * b) -= (dE * vAB) / distance; } for (const auto& constraint : m_angleConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); const Index c = constraint.cIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size()) || (3 * c + 2 >= x.size())) // shouldn't happen, invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vC = x.segment<3>(3 * c); Vector3d aGrad, bGrad, cGrad; Real angle = angleGradient(vA, vB, vC, aGrad, bGrad, cGrad); const Real delta = angle - constraint.value(); const Real dE = constraint.k() * 2 * delta; grad.segment<3>(3 * a) += dE * aGrad; grad.segment<3>(3 * b) += dE * bGrad; grad.segment<3>(3 * c) += dE * cGrad; } for (const auto& constraint : m_torsionConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); const Index c = constraint.cIndex(); const Index d = constraint.dIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size()) || (3 * c + 2 >= x.size()) || (3 * d + 2 >= x.size())) // shouldn't happen, invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vC = x.segment<3>(3 * c); const Vector3d vD = x.segment<3>(3 * d); Vector3d aGrad, bGrad, cGrad, dGrad; const Real angle = dihedralGradient(vA, vB, vC, vD, aGrad, bGrad, cGrad, dGrad); const Real delta = angle - constraint.value(); const Real dE = constraint.k() * 2 * delta; grad.segment<3>(3 * a) += dE * aGrad; grad.segment<3>(3 * b) += dE * bGrad; grad.segment<3>(3 * c) += dE * cGrad; grad.segment<3>(3 * d) += dE * dGrad; } for (const auto& constraint : m_outOfPlaneConstraints) { const Index a = constraint.aIndex(); const Index b = constraint.bIndex(); const Index c = constraint.cIndex(); const Index d = constraint.dIndex(); if ((3 * a + 2 >= x.size()) || (3 * b + 2 >= x.size()) || (3 * c + 2 >= x.size()) || (3 * d + 2 >= x.size())) // shouldn't happen, invalid constraint continue; const Vector3d vA = x.segment<3>(3 * a); const Vector3d vB = x.segment<3>(3 * b); const Vector3d vC = x.segment<3>(3 * c); const Vector3d vD = x.segment<3>(3 * d); Vector3d aGrad, bGrad, cGrad, dGrad; const Real angle = outOfPlaneGradient(vA, vB, vC, vD, aGrad, bGrad, cGrad, dGrad); const Real delta = angle - constraint.value(); const Real dE = constraint.k() * 2 * delta; grad.segment<3>(3 * a) += dE * aGrad; grad.segment<3>(3 * b) += dE * bGrad; grad.segment<3>(3 * c) += dE * cGrad; grad.segment<3>(3 * d) += dE * dGrad; } } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/energycalculator.h000066400000000000000000000133241516317240700257150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_ENERGYCALCULATOR_H #define AVOGADRO_CALC_ENERGYCALCULATOR_H #include "avogadrocalcexport.h" #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { constexpr Real KCAL_TO_KJ = 4.184; class AVOGADROCALC_EXPORT EnergyCalculator { public: EnergyCalculator() = default; virtual ~EnergyCalculator() = default; /** * Create a new instance of the model. Ownership passes to the * caller. */ virtual EnergyCalculator* newInstance() const = 0; /** * @return a unique identifier for this calculator. */ virtual std::string identifier() const = 0; /** * @return A short translatable name for this method (e.g., MMFF94, UFF, etc.) */ virtual std::string name() const = 0; /** * @return a description of the method */ virtual std::string description() const = 0; /** * @brief Return a JSON object string describing optional user-editable * settings for this model. Empty string means no user options. */ virtual std::string userOptions() const { return std::string(); } /** * @brief Set user-selected options serialized as a JSON object string. * @return True on success. */ virtual bool setUserOptions([[maybe_unused]] const std::string& optionsJson) { return true; } /** * @brief Indicate if your method only treats a subset of elements * @return an element mask corresponding to the defined subset */ virtual Core::Molecule::ElementMask elements() const = 0; /** * @brief Indicate if your method can handle unit cells * @return true if unit cells are supported */ virtual bool acceptsUnitCell() const { return false; } /** * @brief Indicate if your method can handle ions * Many methods only treat neutral systems, either * a neutral molecule or a neutral unit cell. * * @return true if ions are supported */ virtual bool acceptsIons() const { return false; } /** * @brief Indicate if your method can handle radicals * Most methods only treat closed-shell molecules. * @return true if radicals are supported */ virtual bool acceptsRadicals() const { return false; } /** * Calculate the energy for this method. */ virtual Real value(const Eigen::VectorXd& x) = 0; /** * Calculate the gradients for this method, defaulting to numerical * finite-difference methods */ virtual void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad); /** * Calculate numerical gradients for this method. */ void finiteGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad, int accuracy = 0); /** * Evaluate the energy and optionally gradients in one call. * * Derived classes with efficient fused implementations should override this. */ virtual Real evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad = nullptr); /** * Calculate the Hessian matrix for this method, defaulting to numerical * finite-difference methods. */ virtual void hessian(const Eigen::VectorXd& x, Eigen::MatrixXd& hess); /** * Calculate numerical Hessian for this method. */ void finiteHessian(const Eigen::VectorXd& x, Eigen::MatrixXd& hess, int accuracy = 0); /** * Called to 'clean' gradients @param grad (e.g., for constraints) */ void cleanGradients(Eigen::VectorXd& grad); /** * Called to get the energies for the current set of constraints. * which should be added to the value() method for real energies * in derived classes * @return the sum of the constraint energies */ Real constraintEnergies(const Eigen::VectorXd& x); /** * Called to get the gradients for the current set of constraints. * which should be added to the gradient() method in derived classes. * @param x the current coordinates * @param grad the gradient vector to be updated with constraint gradients */ void constraintGradients(const Eigen::VectorXd& x, Eigen::VectorXd& grad); /** * Called to get the constraints for this method. * @return the constraints for this method */ std::vector constraints() const; // Set the constraints for this method void setConstraints(const std::vector& constraints); /** * Called to update the "frozen" mask (e.g., during editing) */ void setMask(Eigen::VectorXd mask) { m_mask = mask; } /** * @return the frozen atoms mask */ Eigen::VectorXd mask() const { return m_mask; } /** * Called when the current molecule changes. */ virtual void setMolecule(Core::Molecule* mol) = 0; protected: /** * @brief Append an error to the error string for the model. * @param errorString The error to be added. * @param newLine Add a new line after the error string? */ void appendError(const std::string& errorString, bool newLine = true) const; Eigen::VectorXd m_mask; // optimize or frozen atom mask // Separate the constraints into different types // for speed and convenience. std::vector m_distanceConstraints; std::vector m_angleConstraints; std::vector m_torsionConstraints; std::vector m_outOfPlaneConstraints; private: mutable std::string m_error; }; } // end namespace Calc } // end namespace Avogadro #endif // AVOGADRO_CALC_ENERGYCALCULATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/energymanager.cpp000066400000000000000000000115321516317240700255300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "energymanager.h" #include "energycalculator.h" #include "lennardjones.h" #include "uff.h" namespace Avogadro::Calc { EnergyManager& EnergyManager::instance() { static EnergyManager instance; return instance; } void EnergyManager::appendError(const std::string& errorMessage) { m_error += errorMessage + "\n"; } bool EnergyManager::registerModel(EnergyCalculator* model) { return instance().addModel(model); } bool EnergyManager::unregisterModel(const std::string& identifier) { return instance().removeModel(identifier); } bool EnergyManager::addModel(EnergyCalculator* model) { if (model == nullptr) { appendError("Supplied model was null."); return false; } if (m_identifiers.find(model->identifier()) != m_identifiers.end()) { appendError("Model " + model->identifier() + " already loaded."); return false; } // If we got here then the model is unique enough to be added. size_t index = m_models.size(); m_models.push_back(model); m_identifiers[model->identifier()] = index; m_identifierToName[model->identifier()] = model->name(); return true; } EnergyCalculator* EnergyManager::model(const std::string& identifier) const { auto it = m_identifiers.find(identifier); if (it == m_identifiers.end()) { return nullptr; } return m_models[it->second]->newInstance(); } bool EnergyManager::removeModel(const std::string& identifier) { auto ids = m_identifiers[identifier]; m_identifiers.erase(identifier); m_identifierToName.erase(identifier); auto* model = m_models[ids]; if (model != nullptr) { m_models[ids] = nullptr; delete model; } return true; } std::string EnergyManager::nameForModel(const std::string& identifier) const { auto it = m_identifierToName.find(identifier); if (it == m_identifierToName.end()) { return identifier; } return it->second; } EnergyManager::EnergyManager() { // add any default models here // LJ is the fallback, since it can handle anything // (maybe not well, but it can handle it) addModel(new LennardJones); // UFF is good for a wide range of molecules addModel(new UFF); } EnergyManager::~EnergyManager() { // Delete the models that were loaded. for (auto& m_model : m_models) { delete m_model; } m_models.clear(); } std::set EnergyManager::identifiers() const { std::set identifiers; for (auto& it : m_identifiers) { identifiers.insert(it.first); } return identifiers; } std::set EnergyManager::identifiersForMolecule( const Core::Molecule& molecule) const { std::set identifiers; // check our models for compatibility for (auto* m_model : m_models) { if (m_model == nullptr) continue; // we can check easy things first // - is the molecule an ion based on total charge // - is the molecule a radical based on spin multiplicity // - does the molecule have a unit cell if (molecule.totalCharge() != 0 && !m_model->acceptsIons()) continue; if (molecule.totalSpinMultiplicity() != 1 && !m_model->acceptsRadicals()) continue; if (molecule.unitCell() != nullptr && !m_model->acceptsUnitCell()) continue; // Finally, we check that every element in the molecule // is handled by the model auto mask = m_model->elements() & molecule.elements(); if (mask.count() == molecule.elements().count()) identifiers.insert(m_model->identifier()); // this one will work } return identifiers; } // order of preference for the built-in methods const std::vector METHOD_TIER_LIST = { "GAFF", "MMFF94", "UFF", "LJ" }; std::string EnergyManager::recommendedModel( const Core::Molecule& molecule) const { auto identifiers = identifiersForMolecule(molecule); if (identifiers.empty()) return "LJ"; // shouldn't really ever happen std::string bestOption; // first, we look through the identifiers to see if there's // something not in the built-in list // i.e., installed by the user = try that first for (auto option : identifiers) { if (std::find(METHOD_TIER_LIST.begin(), METHOD_TIER_LIST.end(), option) == METHOD_TIER_LIST.end()) return option; } // if not, we look through the built-in list in order // of preference (e.g., GAFF > MMFF94 > UFF > LJ) for (auto option : METHOD_TIER_LIST) { if (identifiers.find(option) != identifiers.end()) { bestOption = option; break; } } if (!bestOption.empty()) return bestOption; else return "LJ"; // this will always work } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/energymanager.h000066400000000000000000000110171516317240700251730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_ENERGYMANAGER_H #define AVOGADRO_CALC_ENERGYMANAGER_H #include "avogadrocalcexport.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { class EnergyCalculator; /** * @class EnergyManager chargemanager.h * * @brief Class to manage registration, searching and creation of force field * (energy) calculators. * @author Geoffrey R. Hutchison * * The energy manager is a singleton class that handles the runtime * registration, search, creation and eventual destruction of calculators * for geometry optimization and molecular dynamics. * It can be used to gain a listing of available models, register new * models, etc. * * All energy calculation can take place independent of this code, but for * automated registration and look up, this is the preferred API. */ class AVOGADROCALC_EXPORT EnergyManager { public: /** * Get the singleton instance of the energy manager. This instance should * not be deleted. */ static EnergyManager& instance(); /** * @brief Register a new model with the manager. * @param model An instance of the calculator to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ static bool registerModel(EnergyCalculator* model); /** * @brief Unregister a charge model from the manager. * @param identifier The identifier for the model to remove. * @return True on success, false on failure. */ static bool unregisterModel(const std::string& identifier); /** * Add the supplied @p model to the manager, registering its ID and other * relevant data for later lookup. The manager assumes ownership of the * supplied object. * @return True on success, false on failure. */ bool addModel(EnergyCalculator* model); /** * Remove the model with the identifier @a identifier from the manager. * @return True on success, false on failure. */ bool removeModel(const std::string& identifier); /** * New instance of the model for the specified @p identifier. Ownership * is passed to the caller. * @param identifier The unique identifier of the model. * @return Instance of the model, nullptr if not found. Ownership passes to * the caller. */ EnergyCalculator* model(const std::string& identifier) const; /** * Get a list of all loaded identifiers */ std::set identifiers() const; /** * @brief Get a list of models that work for this molecule. * * This is probably the method you want to get a list for a user */ std::set identifiersForMolecule( const Core::Molecule& molecule) const; /** * @brief Get a recommended model for this molecule. * * This returns the identifier for a model that works, * given the charge, unit cell, spin states, etc. * @return The recommended model identifier */ std::string recommendedModel(const Core::Molecule& molecule) const; /** * @brief Get the name of the model for the specified identifier. * * The name is a user-visible string, and may be translated. * @param identifier The unique identifier of the model. * @return The name of the model, or an empty string if not found. */ std::string nameForModel(const std::string& identifier) const; /** * Get any errors that have been logged when loading models. */ std::string error() const { return m_error; } private: using ModelIdMap = std::map; EnergyManager(); ~EnergyManager(); EnergyManager(const EnergyManager&); // Not implemented. EnergyManager& operator=(const EnergyManager&); // Not implemented. /** * @brief Append warnings/errors to the error message string. * @param errorMessage The error message to append. */ void appendError(const std::string& errorMessage); std::vector m_models; mutable ModelIdMap m_identifiers; mutable std::map m_identifierToName; std::string m_error; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_ENERGYMANAGER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/energyoptimizer.cpp000066400000000000000000000042361516317240700261430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "energyoptimizer.h" #include "energycalculator.h" #include #include #include namespace Avogadro::Calc { namespace { class EnergyObjective : public cppoptlib::function::FunctionCRTP< EnergyObjective, double, cppoptlib::function::DifferentiabilityMode::First> { public: explicit EnergyObjective(EnergyCalculator& method_) : method(method_) {} ScalarType operator()(const VectorType& x, VectorType* grad) const { return method.evaluate(x, grad); } private: EnergyCalculator& method; }; bool optimizeLbfgs(EnergyCalculator& method, Eigen::VectorXd& positions, size_t chunkIterations) { EnergyObjective objective(method); cppoptlib::solver::Lbfgs solver; auto initialState = cppoptlib::function::FunctionState(positions); using StateType = decltype(initialState); auto stopProgress = cppoptlib::solver::DefaultStoppingSolverProgress(); stopProgress.num_iterations = chunkIterations; stopProgress.x_delta = 0.0; stopProgress.f_delta = 0.0; stopProgress.gradient_norm = 0.0; stopProgress.condition_hessian = 0.0; solver.stopping_progress = stopProgress; auto [solution, solverProgress] = solver.Minimize(objective, initialState); (void)solverProgress; positions = solution.x; return true; } } // namespace bool optimizeSteps(EnergyCalculator& method, Eigen::VectorXd& positions, const OptimizationOptions& options) { if (options.chunkIterations == 0) return false; switch (options.algorithm) { case OptimizationAlgorithm::Lbfgs: return optimizeLbfgs(method, positions, options.chunkIterations); default: return false; } } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/energyoptimizer.h000066400000000000000000000021551516317240700256060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_ENERGYOPTIMIZER_H #define AVOGADRO_CALC_ENERGYOPTIMIZER_H #include "avogadrocalcexport.h" #include #include namespace Avogadro::Calc { class EnergyCalculator; enum class OptimizationAlgorithm { Lbfgs }; struct AVOGADROCALC_EXPORT OptimizationOptions { OptimizationAlgorithm algorithm = OptimizationAlgorithm::Lbfgs; size_t chunkIterations = 5; }; /** * Run a bounded number of optimization iterations on the current position * vector. * * @return true if the selected algorithm was executed, false if options are * invalid or unsupported. */ AVOGADROCALC_EXPORT bool optimizeSteps( EnergyCalculator& method, Eigen::VectorXd& positions, const OptimizationOptions& options = OptimizationOptions{}); } // namespace Avogadro::Calc #endif // AVOGADRO_CALC_ENERGYOPTIMIZER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/gradients.h000066400000000000000000000145361516317240700243400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_GRADIENTS_H #define AVOGADRO_CALC_GRADIENTS_H #include #include #include #include namespace Avogadro::Calc { /** * Calculate the components of the gradient for the distance a-b. * @return true if the length is well-defined. */ inline bool distanceGradient(const Vector3& a, const Vector3& b, Real& distance, Vector3& aGrad, Vector3& bGrad) { bGrad = aGrad = Vector3::Zero(); const Vector3 ab = a - b; distance = ab.norm(); if (distance < 1e-3) return false; const Vector3 direction = ab / distance; aGrad = direction; bGrad = -direction; return true; } /** * Calculate the components of the gradient for the angle a-b-c using atan2. * @return the angle between a-b-c in radians or 0.0 if ill-defined */ inline Real angleGradient(const Vector3& a, const Vector3& b, const Vector3& c, Vector3& aGrad, Vector3& bGrad, Vector3& cGrad) { cGrad = bGrad = aGrad = Vector3::Zero(); const Vector3 ab = a - b; const Vector3 cb = c - b; const Real rab = ab.norm(); const Real rcb = cb.norm(); if (rab < 1.e-3 || rcb < 1.e-3) return 0.0; const Real dot = ab.dot(cb); const Vector3 ab_cross_cb = ab.cross(cb); const Real crossNorm = ab_cross_cb.norm(); if (!std::isfinite(crossNorm) || crossNorm < 1.e-6) return 0.0; Real angle = atan2(crossNorm, dot); if (angle < -PI) angle += 2 * PI; else if (angle > PI) angle -= 2 * PI; // Use the cross product to get the gradients const Vector3 n = ab_cross_cb / crossNorm; // Gradients of the cross products Vector3 grad_cross_a = (cb.cross(n)); Vector3 grad_cross_c = (n.cross(ab)); Vector3 grad_cross_b = -(grad_cross_a + grad_cross_c); // Gradients of the dot product Vector3 grad_dot_a = cb; Vector3 grad_dot_c = ab; Vector3 grad_dot_b = -(cb + ab); // Final gradient using atan2 derivative: d/dx(atan2(y,x)) = (x*dy/dx - // y*dx/dx)/(x^2 + y^2) const Real denom = crossNorm * crossNorm + dot * dot; aGrad = (grad_cross_a * dot - crossNorm * grad_dot_a) / denom; bGrad = (grad_cross_b * dot - crossNorm * grad_dot_b) / denom; cGrad = (grad_cross_c * dot - crossNorm * grad_dot_c) / denom; return angle; } /** * Calculate the components of the gradient for the dihedral i-j-k-; * @return the torsion angle around i-j-k-l in radians */ inline Real dihedralGradient(const Vector3& i, const Vector3& j, const Vector3& k, const Vector3& l, Vector3& iGrad, Vector3& jGrad, Vector3& kGrad, Vector3& lGrad) { lGrad = kGrad = jGrad = iGrad = Vector3::Zero(); // get the bond vectors Vector3 ij = j - i; Vector3 jk = k - j; Vector3 kl = l - k; Real rij = ij.norm(); Real rjk = jk.norm(); Real rkl = kl.norm(); Real phi = calculateDihedral(i, j, k, l) * DEG_TO_RAD; // check if the bond vectors are near zero if (rij < 1e-3 || rjk < 1e-3 || rkl < 1e-3) return phi; // skip this torsion Real sinPhi = sin(phi); Real cosPhi = cos(phi); // Using the BallView / Open Babel formula // https://doi.org/10.22028/D291-25896 (Appendix A) // Thanks to Andreas Moll // for the derivation of the gradients // get the unit vectors Vector3 n1 = ij / rij; Vector3 n2 = jk / rjk; Vector3 n3 = kl / rkl; // get the angles between ijk and jkl Vector3 n1_cross_n2 = n1.cross(n2); Vector3 n2_cross_n3 = n2.cross(n3); // check for near-zero cross products if (n1_cross_n2.norm() < 1e-6 || n2_cross_n3.norm() < 1e-6) return phi; // skip this torsion Real sinAngleIJK = n1_cross_n2.norm(); Real sinAngleJKL = n2_cross_n3.norm(); Real cosAngleIJK = n1.dot(n2); Real cosAngleJKL = n2.dot(n3); // get the gradient components iGrad = -n1_cross_n2 / (rij * sinAngleIJK * sinAngleIJK); lGrad = n2_cross_n3 / (rkl * sinAngleJKL * sinAngleJKL); // grad_j and grad_k are a bit more complicated // clamp the cosines to -1 to 1 cosAngleIJK = std::clamp(cosAngleIJK, -1.0, 1.0); cosAngleJKL = std::clamp(cosAngleJKL, -1.0, 1.0); Real fraction1 = (rij / rjk) * (-cosAngleIJK); Real fraction2 = (rkl / rjk) * (-cosAngleJKL); jGrad = iGrad * (fraction1 - 1) - lGrad * (fraction2); kGrad = -(iGrad + lGrad + jGrad); return phi; } inline Real outOfPlaneGradient(const Vector3& point, const Vector3& b, const Vector3& c, const Vector3& d, Vector3& aGrad, Vector3& bGrad, Vector3& cGrad, Vector3& dGrad) { dGrad = cGrad = bGrad = aGrad = Vector3::Zero(); // Bond vectors from central atom to surrounding atoms Vector3 u1 = b - point; Vector3 u2 = c - point; Vector3 u3 = d - point; const Real r1 = u1.norm(); const Real r2 = u2.norm(); const Real r3 = u3.norm(); if (r1 < 1e-3 || r2 < 1e-3 || r3 < 1e-3) return 0.0; // Normalize to unit vectors u1 /= r1; u2 /= r2; u3 /= r3; // Use outOfPlaneAngle (Wilson angle) for the angle value const Real chi = outOfPlaneAngle(point, b, c, d) * DEG_TO_RAD; const Real sinChi = std::sin(chi); const Real cosChi = std::cos(chi); if (std::abs(cosChi) < 1e-6) return chi; // Cross product and derived quantities needed for gradient formulas const Vector3 n = u1.cross(u2); const Real sinTheta = n.norm(); if (sinTheta < 1e-6) return chi; const Real cosTheta = u1.dot(u2); const Vector3 n_hat = n / sinTheta; const Real sinTheta2 = sinTheta * sinTheta; // Gradient for atom d (out-of-plane atom) dGrad = (n_hat - u3 * sinChi) / (r3 * cosChi); // Gradient for atom b (in-plane) const Vector3 u2xu3 = u2.cross(u3); bGrad = (u2xu3 * sinTheta - u1 * sinChi + u2 * sinChi * cosTheta) / (r1 * cosChi * sinTheta2); // Gradient for atom c (in-plane) const Vector3 u3xu1 = u3.cross(u1); cGrad = (u3xu1 * sinTheta - u2 * sinChi + u1 * sinChi * cosTheta) / (r2 * cosChi * sinTheta2); // Central atom gradient from translation invariance aGrad = -(bGrad + cGrad + dGrad); return chi; } } // namespace Avogadro::Calc #endif // AVOGADRO_CALC_GRADIENTS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/lennardjones.cpp000066400000000000000000000076501516317240700253740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lennardjones.h" #include "avogadro/core/avogadrocore.h" #include #include #include #include namespace Avogadro::Calc { namespace { Real evaluateLennardJonesPairs(const Eigen::VectorXd& x, const Eigen::MatrixXd& radii, Core::UnitCell* cell, Real depth, int exponent, Eigen::VectorXd* grad) { const Index numAtoms = radii.rows(); Real energy = 0.0; for (Index i = 0; i < numAtoms; ++i) { const Vector3 ipos = x.segment<3>(3 * i); for (Index j = i + 1; j < numAtoms; ++j) { const Vector3 jpos = x.segment<3>(3 * j); Vector3 delta = Vector3::Zero(); Real r = 0.0; if (cell == nullptr) { delta = ipos - jpos; r = delta.norm(); } else if (grad != nullptr) { delta = cell->minimumImage(ipos - jpos); r = delta.norm(); } else { r = cell->distance(ipos, jpos); } if (r < 0.1) r = 0.1; // ensure we don't divide by zero const Real ratio = std::pow(radii(i, j) / r, exponent); energy += depth * (ratio * ratio - 2.0 * ratio); if (grad == nullptr) continue; // dE/dr for E = depth * ((sigma/r)^(2n) - 2 * (sigma/r)^n) const Real dEdr = -2.0 * depth * static_cast(exponent) * ratio * (ratio - 1.0) / r; const Vector3 force = (dEdr / r) * delta; grad->segment<3>(3 * i) += force; grad->segment<3>(3 * j) -= force; } } return energy; } } // namespace LennardJones::LennardJones() : m_molecule(nullptr), m_cell(nullptr), m_radii(), m_vdw(true), m_depth(100.0), m_exponent(6), m_elements() { // defined for 1-118 for (unsigned int i = 1; i <= 118; ++i) { m_elements.set(i); } } void LennardJones::setMolecule(Core::Molecule* mol) { m_molecule = mol; if (mol == nullptr) { return; // nothing to do } m_mask = mol->frozenAtomMask(); m_cell = mol->unitCell(); // could be nullptr Index numAtoms = mol->atomCount(); // track atomic radii for this molecule m_radii.setZero(); Eigen::MatrixXd radii(numAtoms, numAtoms); Eigen::MatrixXd mask(numAtoms * 3, 1); mask.setOnes(); m_mask = mask; for (Index i = 0; i < numAtoms; ++i) { Core::Atom atom1 = mol->atom(i); unsigned char number1 = atom1.atomicNumber(); double r1; if (m_vdw) r1 = Core::Elements::radiusVDW(number1); else r1 = Core::Elements::radiusCovalent(number1); for (Index j = i + 1; j < numAtoms; ++j) { Core::Atom atom2 = mol->atom(j); unsigned char number2 = atom2.atomicNumber(); double r2; if (m_vdw) r2 = Core::Elements::radiusVDW(number2); else r2 = Core::Elements::radiusCovalent(number2); radii(i, j) = r1 + r2; // expected distance } } m_radii = radii; } Real LennardJones::value(const Eigen::VectorXd& x) { return evaluate(x, nullptr); } void LennardJones::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { evaluate(x, &grad); } Real LennardJones::evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) { if (grad != nullptr) { if (grad->rows() != x.rows()) grad->resize(x.rows()); grad->setZero(); } if (!m_molecule || x.size() != static_cast(3 * m_molecule->atomCount())) return 0.0; Real energy = evaluateLennardJonesPairs(x, m_radii, m_cell, m_depth, m_exponent, grad); energy += constraintEnergies(x); if (grad != nullptr) { cleanGradients(*grad); constraintGradients(x, *grad); } return energy; } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/lennardjones.h000066400000000000000000000034341516317240700250350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_LENNARDJONES_H #define AVOGADRO_CALC_LENNARDJONES_H #include "avogadrocalcexport.h" #include namespace Avogadro { namespace Core { class Molecule; class UnitCell; } // namespace Core namespace Calc { class AVOGADROCALC_EXPORT LennardJones : public EnergyCalculator { public: LennardJones(); ~LennardJones() override = default; LennardJones* newInstance() const override { return new LennardJones; } std::string identifier() const override { return "LJ"; } std::string name() const override { return "Lennard-Jones"; } std::string description() const override { return "Universal Lennard-Jones potential"; } bool acceptsIons() const override { return true; } bool acceptsRadicals() const override { return true; } bool acceptsUnitCell() const override { return true; } Core::Molecule::ElementMask elements() const override { return (m_elements); } Real value(const Eigen::VectorXd& x) override; void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; Real evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) override; /** * Called when the current molecule changes. */ void setMolecule(Core::Molecule* mol) override; protected: Core::Molecule* m_molecule; Core::UnitCell* m_cell; Eigen::MatrixXd m_radii; bool m_vdw; Real m_depth; int m_exponent; Core::Molecule::ElementMask m_elements; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_LENNARDJONES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/lennardjonesdata.h000066400000000000000000000250461516317240700256720ustar00rootroot00000000000000/***************************************************************************** # CDDL HEADER START # # The contents of this file are subject to the terms of the Common Development # and Distribution License Version 1.0 (the "License"). # # You can obtain a copy of the license at # http://www.opensource.org/licenses/CDDL-1.0. See the License for the # specific language governing permissions and limitations under the License. # # When distributing Covered Code, include this CDDL HEADER in each file and # include the License file in a prominent location with the name LICENSE.CDDL. # If applicable, add the following below this CDDL HEADER, with the fields # enclosed by brackets "[]" replaced with your own identifying information: # # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. # # CDDL HEADER END # # # Copyright (c) 2015, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Ryan S. Elliott # Andrew Akerson # # * Sigma parameters are set to (2^{-1/6})*r_0, where r_0 is the atomic # covalent radius. Covalent radii for elements 1--96 were taken from Wolfram # Mathematica's `ElementData["CovalentRadius"]' command. Covalent radii for # elements 97--118 were taken from Fig. 3 of the article Pyykko, M. Atsumi, # J. Chem. Eur. J. 15 (2009) 12770. # # * Epsilon parameters are set to the bond dissociation energy. Bond # dissociation energies for elements 1--55, 57--60, and 61--84 were taken # from the CRC Handbook of Chemistry and Physics, 91st Edition, # Ed. W.H. Haynes, 2010. (as posted here: # http://staff.ustc.edu.cn/~luo971/2010-91-CRC-BDEs-Tables.pdf) # # The value (cohesive energy, in this case) for element 56 was obtained from # p. 50 in Charles Kittel. Introduction to Solid State Physics, 8th # edition. Hoboken, NJ: John Wiley & Sons, Inc, 2005. # # The bond dissociation energy value for element 61 was obtained from # "Interpolation scheme for the cohesive energies for the lanthanides and # actinides" Borje Johansson and Anders Rosengren, Phys. Rev. B 11, 1367 # (1975). # # The bond dissociation energies for elements 85--118 were not found in the # literature. Thus, the values used here are approximated by subtracting 10% # from the value for the element in the same Group (column) and previous # Period (row) of the periodic table. *****************************************************************************/ // Formatted as a C / C++ header for Avogadro // from OpenKIM LennardJones612_UniversalShifted.txt // https://doi.org/10.25950/962b4967 // This is a 'universal' parameterization for the LennardJones612 model driver // for all species types supported by the KIM API. The parameterization uses a // shifted cutoff so that all interactions have a continuous energy function at // the cutoff radius. // This model was automatically fit using Lorentz-Berthelot mixing rules. It // reproduces the dimer equilibrium separation (covalent radii) and the bond // dissociation energies. It has not been fitted to other physical properties // and its ability to model structures other than dimers is unknown. #ifndef AVOGADRO_CALC_LENNARDJONES_DATA #define AVOGADRO_CALC_LENNARDJONES_DATA // values are # cutoff # epsilon # sigma // cutoff and sigmas are in units of Angstroms // epsilon are in units of Electron Volts float ljparams[][3] = { { 4.0, 1.0, 1.0 }, // dummy { 2.2094300, 4.4778900, 0.5523570 }, // hydrogen { 1.9956100, 0.0009421, 0.4989030 }, { 9.1228000, 1.0496900, 2.2807000 }, { 6.8421000, 0.5729420, 1.7105300 }, { 6.0581100, 2.9670300, 1.5145300 }, { 5.4166600, 6.3695300, 1.3541700 }, { 5.0603000, 9.7537900, 1.2650800 }, { 4.7039500, 5.1264700, 1.1759900 }, { 4.0625000, 1.6059200, 1.0156200 }, { 4.1337700, 0.0036471, 1.0334400 }, { 11.8311000, 0.7367450, 2.9577800 }, { 10.0493000, 0.0785788, 2.5123300 }, { 8.6239000, 2.7006700, 2.1559700 }, { 7.9111800, 3.1743100, 1.9778000 }, { 7.6260900, 5.0305000, 1.9065200 }, { 7.4835500, 4.3692700, 1.8708900 }, { 7.2697300, 4.4832800, 1.8174300 }, { 7.5548200, 0.0123529, 1.8887100 }, { 14.4682000, 0.5517990, 3.6170500 }, { 12.5439000, 0.1326790, 3.1359600 }, { 12.1162000, 1.6508000, 3.0290600 }, { 11.4035000, 1.1802700, 2.8508800 }, { 10.9046000, 2.7524900, 2.7261500 }, { 9.9067900, 1.5367900, 2.4767000 }, { 9.9067900, 0.5998880, 2.4767000 }, { 9.4078900, 1.1844200, 2.3519700 }, { 8.9802600, 1.2776900, 2.2450600 }, { 8.8377200, 2.0757200, 2.2094300 }, { 9.4078900, 2.0446300, 2.3519700 }, { 8.6951700, 0.1915460, 2.1737900 }, { 8.6951700, 1.0642000, 2.1737900 }, { 8.5526300, 2.7017100, 2.1381600 }, { 8.4813600, 3.9599000, 2.1203400 }, { 8.5526300, 3.3867700, 2.1381600 }, { 8.5526300, 1.9706300, 2.1381600 }, { 8.2675400, 0.0173276, 2.0668900 }, { 15.6798000, 0.4682650, 3.9199500 }, { 13.8980000, 0.1339230, 3.4745100 }, { 13.5417000, 2.7597500, 3.3854200 }, { 12.4726000, 3.0520100, 3.1181500 }, { 11.6886000, 5.2782000, 2.9221500 }, { 10.9759000, 4.4749900, 2.7439700 }, { 10.4770000, 3.3815900, 2.6192400 }, { 10.4057000, 1.9617200, 2.6014200 }, { 10.1206000, 2.4058200, 2.5301500 }, { 9.9067900, 1.3709700, 2.4767000 }, { 10.3344000, 1.6497600, 2.5836100 }, { 10.2632000, 0.0377447, 2.5657900 }, { 10.1206000, 0.8113140, 2.5301500 }, { 9.9067900, 1.9005700, 2.4767000 }, { 9.9067900, 3.0882800, 2.4767000 }, { 9.8355200, 2.6312300, 2.4588800 }, { 9.9067900, 1.5393800, 2.4767000 }, { 9.9780700, 0.0238880, 2.4945200 }, { 17.3903000, 0.4166420, 4.3475900 }, { 15.3235000, 1.9000000, 3.8308600 }, { 14.7533000, 2.4996100, 3.6883200 }, { 14.5395000, 2.5700800, 3.6348700 }, { 14.4682000, 1.2994600, 3.6170500 }, { 14.3257000, 0.8196050, 3.5814100 }, { 14.1831000, 3.2413400, 3.5457800 }, { 14.1118000, 0.5211220, 3.5279600 }, { 14.1118000, 0.4299180, 3.5279600 }, { 13.9693000, 2.0995600, 3.4923200 }, { 13.8267000, 1.3999900, 3.4566900 }, { 13.6842000, 0.6900550, 3.4210500 }, { 13.6842000, 0.6900550, 3.4210500 }, { 13.4704000, 0.7387660, 3.3676000 }, { 13.5417000, 0.5211220, 3.3854200 }, { 13.3278000, 0.1303990, 3.3319600 }, { 13.3278000, 1.4331500, 3.3319600 }, { 12.4726000, 3.3608600, 3.1181500 }, { 12.1162000, 4.0034300, 3.0290600 }, { 11.5460000, 6.8638900, 2.8865100 }, { 10.7621000, 4.4387100, 2.6905100 }, { 10.2632000, 4.2625300, 2.5657900 }, { 10.0493000, 3.7028700, 2.5123300 }, { 9.6929800, 3.1401000, 2.4232400 }, { 9.6929800, 2.3058000, 2.4232400 }, { 9.4078900, 0.0454140, 2.3519700 }, { 10.3344000, 0.5770870, 2.5836100 }, { 10.4057000, 0.8589880, 2.6014200 }, { 10.5482000, 2.0798700, 2.6370600 }, { 9.9780700, 1.8995300, 2.4945200 }, { 10.6908000, 1.3854420, 2.6727000 }, { 10.6908000, 0.0214992, 2.6727000 }, { 18.5307000, 0.3749778, 4.6326700 }, { 15.7511000, 1.7100000, 3.9377700 }, { 15.3235000, 2.2496490, 3.8308600 }, { 14.6820000, 2.3130720, 3.6705000 }, { 14.2544000, 1.1695140, 3.5635900 }, { 13.9693000, 0.7376445, 3.4923200 }, { 13.5417000, 2.9172060, 3.3854200 }, { 13.3278000, 0.4690098, 3.3319600 }, { 12.8289000, 0.3869262, 3.2072400 }, { 12.0450000, 1.8896040, 3.0112400 }, { 11.9737000, 1.2599910, 2.9934200 }, { 11.9737000, 0.6210495, 2.9934200 }, { 11.7599000, 0.6210495, 2.9399700 }, { 11.9024000, 0.6648894, 2.9756000 }, { 12.3300000, 0.4690098, 3.0825100 }, { 12.5439000, 0.1173591, 3.1359600 }, { 11.4748000, 1.2898350, 2.8686900 }, { 11.1897000, 3.0247740, 2.7974200 }, { 10.6195000, 3.6030870, 2.6548800 }, { 10.1919000, 6.1775010, 2.5479700 }, { 10.0493000, 3.9948390, 2.5123300 }, { 9.5504300, 3.8362770, 2.3876100 }, { 9.1940700, 3.3325830, 2.2985200 }, { 9.1228000, 2.8260900, 2.2807000 }, { 8.6239000, 2.0752200, 2.1559700 }, { 8.6951700, 0.0408726, 2.1737900 }, { 9.6929800, 0.5193783, 2.4232400 }, { 10.1919000, 0.7730892, 2.5479700 }, { 11.5460000, 1.8718830, 2.8865100 }, { 12.4726000, 1.7095770, 3.1181500 }, { 11.7599000, 1.2468978, 2.9399700 }, { 11.1897000, 0.0193493, 2.7974200 } }; #endif // AVOGADRO_CALC_LENNARDJONES_DATA_HOpenChemistry-avogadrolibs-ceb949f/avogadro/calc/uff.cpp000066400000000000000000001115371516317240700234720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "uff.h" #include "uffdata.h" #include "gradients.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::Calc { using namespace Core; using Eigen::Vector3d; enum Coordination { Resonant = 0, // conjugated / aromatic Linear = 1, // sp linear Trigonal = 2, // sp2 planar Tetrahedral = 3, // sp3 tetrahedral SquarePlanar = 4, // square planar TrigonalBipyramidal = 5, // trigonal bipyramidal Octahedral = 6, // octahedral TrigonalBipentagonal = 7, // trigonal bipentagonal Other = 8 // including higher coordination }; class UFFBond // track the bond parameters { public: Index _atom1; Index _atom2; Real _r0; Real _kb; }; class UFFAngle { public: Index _atom1; Index _atom2; Index _atom3; Real _theta0; Real _kijk; Real _c0; Real _c1; Real _c2; Coordination coordination; }; class UFFTorsion { public: Index _atom1; Index _atom2; Index _atom3; Index _atom4; Real _cos_phi0; Real _ijkl; short _n; // periodicity }; class UFFOOP { public: Index _atom1; // central atom Index _atom2; Index _atom3; Index _atom4; Real _c0; Real _c1; Real _c2; Real _koop; }; class UFFVdW { public: Index _atom1; Index _atom2; Real _depth; Real _x; Real _x6; // precomputed x^6 Real _x12; // precomputed x^12 }; // VdW distance cutoff squared (10 Angstrom cutoff). // UFF equilibrium VdW distances are 2.5-4.5 Angstroms, // so at ~2.5x the largest, LJ energy is negligible. static constexpr Real VDW_CUTOFF_SQ = 100.0; // Rebuild VdW pair list when max atom displacement exceeds 2 Angstroms static constexpr Real VDW_REBUILD_THRESHOLD_SQ = 4.0; // Only check for rebuild every N evaluations static constexpr int VDW_REBUILD_CHECK_INTERVAL = 10; class UFFPrivate // track the particular calculations for a molecule { public: std::vector m_atomTypes; // entry row in uffparams std::vector m_bonds; std::vector m_angles; std::vector m_oops; std::vector m_torsions; std::vector m_vdws; std::unordered_set m_excludedPairs; // 1-2 and 1-3 pairs Eigen::VectorXd m_lastVdWPositions; // positions when VdW list was last built int m_vdwCallCount = 0; // counter for rebuild check interval Core::Molecule* m_molecule; Core::UnitCell* m_cell; static uint64_t pairKey(Index i, Index j) { return i < j ? (uint64_t(i) << 32 | uint64_t(j)) : (uint64_t(j) << 32 | uint64_t(i)); } UFFPrivate(Core::Molecule* mol = nullptr) : m_molecule(mol), m_cell(nullptr) { if (mol == nullptr || mol->atomCount() < 2) { return; // nothing to do } m_cell = mol->unitCell(); // could be nullptr setAtomTypes(); setBonds(); setAngles(); setOOPs(); setTorsions(); buildExclusionSet(); // Extract initial positions for VdW cutoff Core::Array pos = mol->atomPositions3d(); Eigen::Map posMap(pos[0].data(), 3 * mol->atomCount()); setVdWs(posMap); } void setAtomTypes() { // set up the calculations including atom types and parameters // loop through atoms to get the atom types m_atomTypes.reserve(m_molecule->atomCount()); for (Index i = 0; i < m_molecule->atomCount(); ++i) { const Core::Atom& atom = m_molecule->atom(i); int atomicNumber = atom.atomicNumber(); int atomType = -1; for (int j = 0; j < 126; ++j) { if (uffparams[j].element == atomicNumber) { atomType = j; // not guaranteed - only the first type for this element // we can peek ahead to see if there are any more for this element if (j < 125 && uffparams[j + 1].element == atomicNumber) { // there are multiple types for this element const Array bonds = m_molecule->bonds(i); if (atomicNumber == 1) { // hydrogen has two types, so count the bonds if (bonds.size() == 1) { atomType = j; // hydrogen with one bond break; } else { // hydrogen with more than one bond = bridging type atomType = j + 1; break; } } // remaining elements, we want the coordination number // and possibly formal charge [[maybe_unused]] int charge = m_molecule->formalCharge(i); // UFF fortunately only has square planar as special cases // so if it's more than 4 bonds, we just use that type if (bonds.size() > 4) { // check the atom type symbols char coord = '4' + (bonds.size() - 4); if (uffparams[j].label[2] == coord) { atomType = j; break; } else { // check the next one if (uffparams[j + 1].label[2] == coord) { atomType = j + 1; break; } } } else { // count double and triple bonds int doubleBonds = 0; int tripleBonds = 0; for (const Bond bond : bonds) { unsigned char order = bond.order(); if (order == 2) { ++doubleBonds; } else if (order == 3) { ++tripleBonds; } } char coord = '3'; if (tripleBonds > 0 || doubleBonds > 1) coord = '1'; // sp linear else if (doubleBonds == 1) coord = '2'; // sp2 trigonal else if (doubleBonds == 0 && tripleBonds == 0) coord = '3'; // sp3 tetrahedral // check the atom type symbols if (uffparams[j].label[2] == coord) { atomType = j; break; } else { // bump up until we find one while (j < 125 && uffparams[j].label[2] != coord) { ++j; } atomType = j; break; } } break; } // nope it's the only one for this element // we're done break; } } m_atomTypes.push_back(atomType); } // we need to do one more pass to set aromatic / resonance types // i.e., if an sp2 atom has neighbors, mark them as resonant for (Index i = 0; i < m_molecule->atomCount(); ++i) { const Core::Atom& atom = m_molecule->atom(i); int atomicNumber = atom.atomicNumber(); // carbon, nitrogen, oxygen and sulfur sp2 atoms if (atomicNumber == 6 || atomicNumber == 7 || atomicNumber == 8 || atomicNumber == 16) { const char symbolChar = uffparams[m_atomTypes[i]].label[2]; // we might have an aromatic / resonant N, O, or S // e.g., furan, thiophene .. we also mark amide N // if it's an sp3 carbon, skip it if (atomicNumber == 6 && symbolChar == '3') continue; // check the neighbors const std::vector& neighbors = m_molecule->graph().neighbors(i); // we can skip carbonyl oxygen (i.e., only one neighbor) if ((atomicNumber == 8 || atomicNumber == 16) && neighbors.size() == 1) continue; bool resonant = false; for (Index j : neighbors) { auto symbolLabel = uffparams[m_atomTypes[j]].label; if (symbolLabel.size() < 3) continue; // not a resonant type if (symbolLabel[2] == '2' || symbolLabel[2] == 'R') { resonant = true; break; } } if (resonant) { // set the resonant type if (atomicNumber == 7 && symbolChar == '3') m_atomTypes[i] = m_atomTypes[i] + 1; // N_R after N_3 else if (atomicNumber == 8 && symbolChar == '3') m_atomTypes[i] = m_atomTypes[i] + 2; // O_R after O_3 and O_3_z else if (atomicNumber == 16 && symbolChar == '3') { // loop until we find 'R' .. might be a few different S types while (uffparams[m_atomTypes[i]].label[2] != 'R') ++m_atomTypes[i]; } else m_atomTypes[i] = m_atomTypes[i] - 1; // C_R before C_2 } } } } // calculate the ideal bond distance between two atoms // used in a few places Real calculateRij(Index atom1, Index atom2) { Real ri = uffparams[m_atomTypes[atom1]].r1; Real rj = uffparams[m_atomTypes[atom2]].r1; Real r0 = ri + rj; // bond order correction Bond bond = m_molecule->bond(atom1, atom2); Real order = static_cast(bond.order()); // check if it's a resonant / aromatic bond auto symbol1 = uffparams[m_atomTypes[atom1]].label; auto symbol2 = uffparams[m_atomTypes[atom2]].label; if (symbol1.size() > 2 && symbol1[2] == 'R' && symbol2.size() > 2 && symbol2[2] == 'R') { order = 1.5; // tweak for amide if ((symbol1[0] == 'N' && symbol2[0] == 'C') || (symbol1[0] == 'C' && symbol2[0] == 'N')) order = 1.41; } Real rbo = -0.1332 * r0 * log(order); // electronegativity correction Real chi1 = uffparams[m_atomTypes[atom1]].Xi; Real chi2 = uffparams[m_atomTypes[atom2]].Xi; Real ren = ri * rj * pow((sqrt(chi1) - sqrt(chi2)), 2) / (chi1 * ri + chi2 * rj); // UFF publication has an error (electronegativity correction): // https://towhee.sourceforge.net/forcefields/uff.html return r0 + rbo - ren; } void setBonds() { // loop through the bonds for (Index i = 0; i < m_molecule->bondCount(); ++i) { const Core::Bond& bond = m_molecule->bond(i); Index atom1 = bond.atom1().index(); Index atom2 = bond.atom2().index(); UFFBond b; b._atom1 = atom1; b._atom2 = atom2; b._r0 = calculateRij(atom1, atom2); Real z1 = uffparams[m_atomTypes[atom1]].Z1; Real z2 = uffparams[m_atomTypes[atom2]].Z1; b._kb = 664.12 * z1 * z2 / pow((b._r0), 3); m_bonds.push_back(b); /* std::cout << " bond " << atom1 << " " << uffparams[m_atomTypes[atom1]].label << " " << atom2 << " " << uffparams[m_atomTypes[atom2]].label << " " << b._r0 << " " << b._kb << std::endl; */ } } void setAngles() { AngleIterator ai(m_molecule); auto angle = ai.begin(); while (angle != ai.end()) { Index i = std::get<0>(angle); Index j = std::get<1>(angle); Index k = std::get<2>(angle); UFFAngle a; a._atom1 = i; a._atom2 = j; a._atom3 = k; Real theta0 = uffparams[m_atomTypes[j]].theta0 * DEG_TO_RAD; a._theta0 = theta0 * RAD_TO_DEG; // store in degrees for consistency // calculate the kijk Real rij = calculateRij(i, j); Real rjk = calculateRij(j, k); /* std::cout << " Angle " << i << " " << j << " " << k << " " << rij << " " << rjk << " " << theta0 << std::endl; */ Real rik = sqrt(rij * rij + rjk * rjk - 2 * rij * rjk * cos(theta0)); Real Zi = uffparams[m_atomTypes[i]].Z1; Real Zk = uffparams[m_atomTypes[k]].Z1; Real cosTheta0 = cos(theta0); Real cosTheta0Sq = cosTheta0 * cosTheta0; // see https://towhee.sourceforge.net/forcefields/uff.html // e.g., original paper had some typos a._kijk = 664.12 / (rij * rjk) * (Zi * Zk) / (pow(rik, 5)) * rij * rjk; a._kijk *= (3 * rij * rjk * (1 - cosTheta0Sq) - rik * rik * cosTheta0); // calculate the c0, c1, c2 terms // based on coordination of the central atom std::string label = uffparams[m_atomTypes[j]].label; auto neighbors = m_molecule->graph().neighbors(j); a._c0 = 0.0; a._c1 = 0.0; a._c2 = 0.0; if (label.size() < 3 || neighbors.size() == 1 || label[2] == '1') { // linear a.coordination = Linear; a._c0 = 1.0; } else if ((label[2] == '2' || label[2] == 'R') && neighbors.size() == 3) { a.coordination = Trigonal; a._kijk = a._kijk / 9.0; // divide by n**2 a._c0 = 3.0; } else if (label[2] == '4') { a.coordination = SquarePlanar; a._kijk = a._kijk / 16.0; a._c0 = 4.0; } else if (label[2] == '5') { // TODO a.coordination = TrigonalBipyramidal; } else if (label[2] == '6') { a.coordination = Octahedral; a._kijk = a._kijk / 16.0; a._c0 = 4.0; } else if (neighbors.size() > 6) { // TODO - trigonal bipentagonal and higher coordination // (e.g., as a repulsion between the other atoms) a.coordination = Other; } else { a.coordination = Tetrahedral; Real sinTheta0 = sin(theta0); a._c2 = 1.0 / (4.0 * sinTheta0 * sinTheta0); a._c1 = -4.0 * a._c2 * cosTheta0; a._c0 = a._c2 * (2.0 * cosTheta0 * cosTheta0 + 1.0); } m_angles.push_back(a); angle = ++ai; } } void setOOPs() { // loop through atoms checking for cases with 3 neighbors for (Index i = 0; i < m_molecule->atomCount(); ++i) { auto neighbors = m_molecule->graph().neighbors(i); if (neighbors.size() != 3) continue; // also only for certain elements const Core::Atom& atom = m_molecule->atom(i); int atomicNumber = atom.atomicNumber(); switch (atomicNumber) { case 6: // carbon case 7: // nitrogen case 8: // oxygen case 15: // phos. case 33: // as case 51: // sb case 83: // bi break; default: // no inversion term for this element continue; } UFFOOP oop; oop._atom1 = i; oop._atom2 = neighbors[0]; oop._atom3 = neighbors[1]; oop._atom4 = neighbors[2]; std::string symbol = uffparams[m_atomTypes[i]].label; if (symbol == "N_R" || symbol == "N_2" || symbol == "O_R" || symbol == "O_2") { oop._c0 = 1.0; oop._c1 = -1.0; oop._c2 = 0.0; oop._koop = 6.0; } else if (symbol == "P_3+3" || symbol == "As3+3" || symbol == "Sb3+3" || symbol == "Bi3+3") { Real phi; switch (atomicNumber) { case 15: // P phi = 84.4339 * DEG_TO_RAD; break; case 33: // As phi = 86.9735 * DEG_TO_RAD; break; case 51: // Sb phi = 87.7047 * DEG_TO_RAD; break; case 83: // Bi default: phi = 90.0; } oop._c1 = -4.0 * cos(phi); oop._c2 = 1.0; oop._c0 = -1.0 * oop._c1 * cos(phi) + oop._c2 * cos(2.0 * phi); oop._koop = 22.0; } else if (symbol == "C_2" || symbol == "C_R") { oop._c0 = 1.0; oop._c1 = -1.0; oop._c2 = 0.0; oop._koop = 6.0; // check if one of the other atoms is "O_2" if (uffparams[m_atomTypes[neighbors[0]]].label == "O_2" || uffparams[m_atomTypes[neighbors[1]]].label == "O_2" || uffparams[m_atomTypes[neighbors[2]]].label == "O_2") { oop._koop = 50.0; } } else { continue; } m_oops.push_back(oop); } } void setTorsions() { DihedralIterator di(m_molecule); auto dihedral = di.begin(); while (dihedral != di.end()) { Index i = std::get<0>(dihedral); Index j = std::get<1>(dihedral); Index k = std::get<2>(dihedral); Index l = std::get<3>(dihedral); // check the bond order of j-k // (if it's not rotatable, we can skip this one) Bond bond = m_molecule->bond(j, k); if (bond.order() != 1) { dihedral = ++di; continue; } UFFTorsion t; t._atom1 = i; t._atom2 = j; t._atom3 = k; t._atom4 = l; // default is for sp3-sp3 Real order = static_cast(bond.order()); auto symbol1 = uffparams[m_atomTypes[j]].label; auto symbol2 = uffparams[m_atomTypes[k]].label; // TODO: a bunch of special cases if (symbol1.size() < 3 || symbol2.size() < 3 || symbol1[2] == '3' || symbol2[2] == '3') { // default is sp3-sp3 t._n = 3; Real Vi_j = uffparams[m_atomTypes[j]].Vi; Real Vi_k = uffparams[m_atomTypes[k]].Vi; Real phi0 = 60.0; // handle some special cases // e.g. a pair of group 6 sp3 atoms auto atomicNumberJ = m_molecule->atom(j).atomicNumber(); auto atomicNumberK = m_molecule->atom(k).atomicNumber(); switch (atomicNumberJ) { case 8: // oxygen t._n = 2; phi0 = 90.0; // hydrogen peroxide H-O-O-H Vi_j = 2.0; break; case 16: // sulfur case 34: // selenium case 52: // tellurium case 84: // polonium Vi_j = 6.8; t._n = 2; phi0 = 90.0; default: break; } switch (atomicNumberK) { case 8: // oxygen t._n = 2; phi0 = 90.0; // hydrogen peroxide H-O-O-H Vi_k = 2.0; break; case 16: // sulfur case 34: // selenium case 52: // tellurium case 84: // polonium Vi_k = 6.8; t._n = 2; phi0 = 90.0; default: break; } t._cos_phi0 = cos(t._n * phi0 * DEG_TO_RAD); // geometric mean of the two V1 parameters t._ijkl = 0.5 * sqrt(Vi_j * Vi_k); } else if (symbol1[2] == 'R' && symbol2[2] == 'R') { order = 1.5; // tweak for amide if ((symbol1[0] == 'N' && symbol2[0] == 'C') || (symbol1[0] == 'C' && symbol2[0] == 'N')) order = 1.41; t._n = 2; t._cos_phi0 = cos(t._n * 180.0 * DEG_TO_RAD); t._ijkl = 5.0 * sqrt(uffparams[m_atomTypes[j]].Uj * uffparams[m_atomTypes[k]].Uj); t._ijkl *= 0.5 * (1.0 + 4.18 * log(order)); } else if ((symbol1[2] == '2' && symbol2[2] == '3') || (symbol1[2] == '3' && symbol2[2] == '2')) { // sp2-sp3 t._cos_phi0 = cos(0.0 * DEG_TO_RAD); t._n = 6; t._ijkl = 0.5; // exceptions for Oxygen, Sulfur, Selenium, Tellurium, Polonium auto atomicNumberJ = m_molecule->atom(j).atomicNumber(); auto atomicNumberK = m_molecule->atom(k).atomicNumber(); if (atomicNumberJ == 8 || atomicNumberK == 8 || atomicNumberJ == 16 || atomicNumberK == 16 || atomicNumberJ == 34 || atomicNumberK == 34 || atomicNumberJ == 52 || atomicNumberK == 52 || atomicNumberJ == 84 || atomicNumberK == 84) { t._n = 2; t._cos_phi0 = cos(90.0 * DEG_TO_RAD); } } else { dihedral = ++di; continue; } m_torsions.push_back(t); dihedral = ++di; } } // Build a hash set of all 1-2 and 1-3 atom pairs for O(1) exclusion lookup void buildExclusionSet() { const auto& graph = m_molecule->graph(); for (Index i = 0; i < m_molecule->atomCount(); ++i) { const std::vector& neighbors = graph.neighbors(i); for (Index j : neighbors) { // 1-2 pair m_excludedPairs.insert(pairKey(i, j)); // 1-3 pairs: neighbors of j that aren't i const std::vector& neighbors2 = graph.neighbors(j); for (Index k : neighbors2) { if (k != i) m_excludedPairs.insert(pairKey(i, k)); } } } } // Check if atoms i and j are 1-2 or 1-3 connected (O(1) lookup) bool areExcluded(Index i, Index j) const { return m_excludedPairs.count(pairKey(i, j)) > 0; } // Build or rebuild the VdW pair list with distance cutoff void setVdWs(const Eigen::VectorXd& x) { m_vdws.clear(); m_lastVdWPositions = x; const Index n = m_molecule->atomCount(); for (Index i = 0; i < n; ++i) { for (Index j = i + 1; j < n; ++j) { if (areExcluded(i, j)) continue; // Apply distance cutoff Real r2; if (m_cell == nullptr) { const Vector3d diff = x.segment<3>(3 * i) - x.segment<3>(3 * j); r2 = diff.squaredNorm(); } else { r2 = m_cell->distanceSquared(Vector3(x.segment<3>(3 * i)), Vector3(x.segment<3>(3 * j))); } if (r2 > VDW_CUTOFF_SQ) continue; UFFVdW v; v._atom1 = i; v._atom2 = j; v._depth = sqrt(uffparams[m_atomTypes[i]].D1 * uffparams[m_atomTypes[j]].D1); v._x = sqrt(uffparams[m_atomTypes[i]].x1 * uffparams[m_atomTypes[j]].x1); Real x3 = v._x * v._x * v._x; v._x6 = x3 * x3; v._x12 = v._x6 * v._x6; m_vdws.push_back(v); } } } // Rebuild the VdW pair list if any atom has moved significantly. // Only checks every N calls to avoid O(N) overhead on every evaluation. void rebuildVdWsIfNeeded(const Eigen::VectorXd& x) { if (m_lastVdWPositions.size() != x.size()) { setVdWs(x); return; } if (++m_vdwCallCount % VDW_REBUILD_CHECK_INTERVAL != 0) return; // Check max squared displacement across all atoms const Index n = m_molecule->atomCount(); for (Index i = 0; i < n; ++i) { const Vector3d disp = x.segment<3>(3 * i) - m_lastVdWPositions.segment<3>(3 * i); if (disp.squaredNorm() > VDW_REBUILD_THRESHOLD_SQ) { setVdWs(x); return; } } } void bondEvaluate(const Eigen::VectorXd& x, Real* energy, Eigen::VectorXd* grad) { for (const UFFBond& bond : m_bonds) { const Index i = bond._atom1; const Index j = bond._atom2; const Vector3d diff = x.segment<3>(3 * i) - x.segment<3>(3 * j); const Real r = diff.norm(); const Real dr = r - bond._r0; if (energy != nullptr) { // the 0.5 * kb is already in kb to save a multiplication *energy += bond._kb * dr * dr; } if (grad == nullptr || r < 1e-3) continue; const Real dEdr = 2.0 * bond._kb * dr; const Vector3d direction = diff / r; grad->segment<3>(3 * i) += dEdr * direction; grad->segment<3>(3 * j) -= dEdr * direction; } } void angleEvaluate(const Eigen::VectorXd& x, Real* energy, Eigen::VectorXd* grad) { const bool needsGradient = grad != nullptr; const bool needsEnergy = energy != nullptr; for (const UFFAngle& angle : m_angles) { const Index i = angle._atom1; const Index j = angle._atom2; const Index k = angle._atom3; const Real theta0 = angle._theta0 * DEG_TO_RAD; const Real kijk = angle._kijk; const Real c0 = angle._c0; const Real c1 = angle._c1; const Real c2 = angle._c2; const Vector3d vi = x.segment<3>(3 * i); const Vector3d vj = x.segment<3>(3 * j); const Vector3d vk = x.segment<3>(3 * k); Real thetaGradient = 0.0; Vector3d grad_i = Vector3d::Zero(); Vector3d grad_j = Vector3d::Zero(); Vector3d grad_k = Vector3d::Zero(); if (needsGradient) { thetaGradient = ::Avogadro::Calc::angleGradient(vi, vj, vk, grad_i, grad_j, grad_k); } if (needsEnergy) { // Match the legacy value() path: use acos-based angle in [0, pi]. const Vector3d ij = vi - vj; const Vector3d kj = vk - vj; const Real r1 = ij.norm(); const Real r2 = kj.norm(); const Real thetaEnergy = acos(std::clamp(ij.dot(kj) / (r1 * r2), -1.0, 1.0)); switch (angle.coordination) { case Linear: // fixed typo in UFF paper (it's 1+cos(theta), not 1-cos(theta)) *energy += kijk * (1 + cos(c0 * thetaEnergy)); break; case Trigonal: case Resonant: case SquarePlanar: case Octahedral: *energy += kijk * (1 - cos(c0 * thetaEnergy)) + exp(-20.0 * (thetaEnergy - theta0 + 0.25)); break; case Tetrahedral: { const Real cosTheta = cos(thetaEnergy); // use cos(2t) = 2cos^2(t) - 1 *energy += kijk * (c0 + c1 * cosTheta + c2 * (2 * cosTheta * cosTheta - 1)); break; } case TrigonalBipyramidal: case TrigonalBipentagonal: case Other: default: // fallback to harmonic potential for unsupported coordinations *energy += kijk * (thetaEnergy - theta0) * (thetaEnergy - theta0); break; } } if (!needsGradient || thetaGradient <= 0.1) continue; Real dEdTheta = 0.0; switch (angle.coordination) { case Linear: dEdTheta = -kijk * c0 * sin(c0 * thetaGradient); break; case Trigonal: case Resonant: case SquarePlanar: case Octahedral: dEdTheta = kijk * c0 * sin(c0 * thetaGradient) - 20.0 * exp(-20.0 * (thetaGradient - theta0 + 0.25)); break; case Tetrahedral: { const Real cosTheta = cos(thetaGradient); const Real sinTheta = sin(thetaGradient); dEdTheta = -kijk * (c1 * sinTheta + c2 * 2 * (2 * cosTheta * sinTheta)); break; } case TrigonalBipyramidal: case TrigonalBipentagonal: case Other: default: dEdTheta = 2.0 * kijk * (thetaGradient - theta0) * sin(thetaGradient); break; } if (std::isnan(dEdTheta)) continue; grad->segment<3>(3 * i) += dEdTheta * grad_i; grad->segment<3>(3 * j) += dEdTheta * grad_j; grad->segment<3>(3 * k) += dEdTheta * grad_k; } } void oopEvaluate(const Eigen::VectorXd& x, Real* energy, Eigen::VectorXd* grad) { const bool needsGradient = grad != nullptr; for (const UFFOOP& oop : m_oops) { // for UFF, i is the central atom const Index i = oop._atom1; const Index j = oop._atom2; const Index k = oop._atom3; const Index l = oop._atom4; const Real koop = oop._koop; const Real c0 = oop._c0; const Real c1 = oop._c1; const Real c2 = oop._c2; const Vector3d vi = x.segment<3>(3 * i); const Vector3d vj = x.segment<3>(3 * j); const Vector3d vk = x.segment<3>(3 * k); const Vector3d vl = x.segment<3>(3 * l); Real angleGradient = 0.0; Vector3d grad_i = Vector3d::Zero(); Vector3d grad_j = Vector3d::Zero(); Vector3d grad_k = Vector3d::Zero(); Vector3d grad_l = Vector3d::Zero(); if (needsGradient) { angleGradient = ::Avogadro::Calc::outOfPlaneGradient( vi, vj, vk, vl, grad_i, grad_j, grad_k, grad_l); } if (energy != nullptr) { // Match the legacy value() path. const Real angleEnergy = outOfPlaneAngle(vi, vj, vk, vl) * DEG_TO_RAD; *energy += koop * (c0 + c1 * cos(angleEnergy) + c2 * cos(2 * angleEnergy)); } if (!needsGradient) continue; const Real dE = koop * (-c1 * sin(angleGradient) - 2.0 * c2 * sin(2.0 * angleGradient)); if (std::isnan(dE)) continue; grad->segment<3>(3 * i) += dE * grad_i; grad->segment<3>(3 * j) += dE * grad_j; grad->segment<3>(3 * k) += dE * grad_k; grad->segment<3>(3 * l) += dE * grad_l; } } void torsionEvaluate(const Eigen::VectorXd& x, Real* energy, Eigen::VectorXd* grad) { const bool needsGradient = grad != nullptr; for (const UFFTorsion& torsion : m_torsions) { const Index i = torsion._atom1; const Index j = torsion._atom2; const Index k = torsion._atom3; const Index l = torsion._atom4; const Vector3d vi = x.segment<3>(3 * i); const Vector3d vj = x.segment<3>(3 * j); const Vector3d vk = x.segment<3>(3 * k); const Vector3d vl = x.segment<3>(3 * l); Real phiGradient = 0.0; Vector3d grad_i = Vector3d::Zero(); Vector3d grad_j = Vector3d::Zero(); Vector3d grad_k = Vector3d::Zero(); Vector3d grad_l = Vector3d::Zero(); if (needsGradient) { phiGradient = dihedralGradient(vi, vj, vk, vl, grad_i, grad_j, grad_k, grad_l); } const Real cosPhi0 = torsion._cos_phi0; const Real kijkl = torsion._ijkl; if (energy != nullptr) { // Match the legacy value() path. const Real phiEnergy = calculateDihedral(vi, vj, vk, vl) * DEG_TO_RAD; *energy += kijkl * (1.0 - cosPhi0 * cos(torsion._n * phiEnergy)); } if (!needsGradient) continue; const Real dE = kijkl * torsion._n * sin(torsion._n * phiGradient) * cosPhi0; if (std::isnan(dE)) continue; grad->segment<3>(3 * i) += dE * grad_i; grad->segment<3>(3 * j) += dE * grad_j; grad->segment<3>(3 * k) += dE * grad_k; grad->segment<3>(3 * l) += dE * grad_l; } } void vdwEvaluate(const Eigen::VectorXd& x, Real* energy, Eigen::VectorXd* grad) { rebuildVdWsIfNeeded(x); const bool needsGradient = grad != nullptr; for (const UFFVdW& vdw : m_vdws) { const Index i = vdw._atom1; const Index j = vdw._atom2; const Vector3d vi = x.segment<3>(3 * i); const Vector3d vj = x.segment<3>(3 * j); Vector3d diff = Vector3d::Zero(); Real r2 = 0.0; if (m_cell == nullptr) { diff = vi - vj; r2 = diff.squaredNorm(); } else if (needsGradient) { diff = m_cell->minimumImage(vi - vj); r2 = diff.squaredNorm(); } else { r2 = m_cell->distanceSquared(vi, vj); } // Skip pairs that moved beyond the cutoff since the list was built if (r2 > VDW_CUTOFF_SQ) continue; const Real r6 = r2 * r2 * r2; if (energy != nullptr) { const Real r12 = r6 * r6; *energy += vdw._depth * (vdw._x12 / r12 - 2 * vdw._x6 / r6); } if (!needsGradient) continue; const Real r = sqrt(r2); if (r < 1e-3) continue; const Vector3d direction = diff / r; const Real r7 = r6 * r; const Real dEdr = 12 * vdw._depth * vdw._x6 / r7 * (1 - vdw._x6 / r6); grad->segment<3>(3 * i) += dEdr * direction; grad->segment<3>(3 * j) -= dEdr * direction; } } void evaluate(const Eigen::VectorXd& x, Real* energy, Eigen::VectorXd* grad) { bondEvaluate(x, energy, grad); angleEvaluate(x, energy, grad); torsionEvaluate(x, energy, grad); oopEvaluate(x, energy, grad); vdwEvaluate(x, energy, grad); } Real bondEnergies(const Eigen::VectorXd& x) { Real energy = 0.0; bondEvaluate(x, &energy, nullptr); return energy; } Real angleEnergies(const Eigen::VectorXd& x) { Real energy = 0.0; angleEvaluate(x, &energy, nullptr); return energy; } Real oopEnergies(const Eigen::VectorXd& x) { Real energy = 0.0; oopEvaluate(x, &energy, nullptr); return energy; } Real torsionEnergies(const Eigen::VectorXd& x) { Real energy = 0.0; torsionEvaluate(x, &energy, nullptr); return energy; } Real vdwEnergies(const Eigen::VectorXd& x) { Real energy = 0.0; vdwEvaluate(x, &energy, nullptr); return energy; } void bondGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { bondEvaluate(x, nullptr, &grad); } void angleGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { angleEvaluate(x, nullptr, &grad); } void oopGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { oopEvaluate(x, nullptr, &grad); } void torsionGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { torsionEvaluate(x, nullptr, &grad); } void vdwGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { vdwEvaluate(x, nullptr, &grad); } }; UFF::UFF() : d(nullptr) { // defined for 1-102 for (unsigned int i = 0; i <= 102; ++i) { m_elements.set(i); } } UFF::~UFF() { delete d; d = nullptr; } void UFF::setMolecule(Core::Molecule* mol) { if (d != nullptr) { delete d; d = nullptr; } m_molecule = mol; if (mol == nullptr) { return; // nothing to do } int numAtoms = mol->atomCount(); if (numAtoms < 2) return; // nothing to do for single atoms // start with assigning atom types d = new UFFPrivate(mol); } Real UFF::value(const Eigen::VectorXd& x) { if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return 0.0; if (m_molecule->atomCount() < 2) return 0.0; // no bonds Real energy = 0.0; d->evaluate(x, &energy, nullptr); energy += constraintEnergies(x); return energy * KCAL_TO_KJ; } Real UFF::evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) { if (grad != nullptr) { if (grad->rows() != x.rows()) grad->resize(x.rows()); grad->setZero(); } if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return 0.0; if (m_molecule->atomCount() < 2) return 0.0; // no bonds Real energy = 0.0; d->evaluate(x, &energy, grad); // Add constraint energies energy += constraintEnergies(x); if (grad != nullptr) { cleanGradients(*grad); constraintGradients(x, *grad); // convert from kcal/mol to kJ/mol *grad *= KCAL_TO_KJ; } return energy * KCAL_TO_KJ; } Real UFF::bondEnergy(const Eigen::VectorXd& x) { Real energy = 0.0; if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return energy; // nothing to do if (m_molecule->atomCount() < 2) return energy; // no bonds energy = d->bondEnergies(x); return energy; } Real UFF::angleEnergy(const Eigen::VectorXd& x) { Real energy = 0.0; if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return energy; // nothing to do if (m_molecule->atomCount() < 3) return energy; // no angle energy = d->angleEnergies(x); return energy; } Real UFF::oopEnergy(const Eigen::VectorXd& x) { Real energy = 0.0; if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return energy; // nothing to do if (m_molecule->atomCount() < 4) return energy; // no oop energy = d->oopEnergies(x); return energy; } Real UFF::torsionEnergy(const Eigen::VectorXd& x) { Real energy = 0.0; if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return energy; // nothing to do if (m_molecule->atomCount() < 4) return energy; // no torsion energy = d->torsionEnergies(x); return energy; } Real UFF::vdwEnergy(const Eigen::VectorXd& x) { Real energy = 0.0; if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return energy; // nothing to do if (m_molecule->atomCount() < 2) return energy; // nothing to do energy = d->vdwEnergies(x); return energy; } void UFF::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { evaluate(x, &grad); } void UFF::bondGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return; // nothing to do if (m_molecule->atomCount() < 2) return; // no bonds d->bondGradient(x, grad); } void UFF::angleGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return; // nothing to do if (m_molecule->atomCount() < 3) return; // no bonds d->angleGradient(x, grad); } void UFF::oopGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return; // nothing to do if (m_molecule->atomCount() < 4) return; // no bonds d->oopGradient(x, grad); } void UFF::torsionGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return; // nothing to do if (m_molecule->atomCount() < 4) return; // no bonds d->torsionGradient(x, grad); } void UFF::vdwGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_molecule || !d || x.size() != static_cast(3 * m_molecule->atomCount())) return; // nothing to do if (m_molecule->atomCount() < 2) return; // no bonds d->vdwGradient(x, grad); } } // namespace Avogadro::Calc OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/uff.h000066400000000000000000000044511516317240700231330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_UFF_H #define AVOGADRO_CALC_UFF_H #include "avogadrocalcexport.h" #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { class UFFPrivate; class AVOGADROCALC_EXPORT UFF : public EnergyCalculator { public: UFF(); ~UFF() override; UFF* newInstance() const override { return new UFF; } std::string identifier() const override { return "UFF"; } std::string name() const override { return "UFF"; } std::string description() const override { return "Universal Force Field"; } Core::Molecule::ElementMask elements() const override { return (m_elements); } Real value(const Eigen::VectorXd& x) override; void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; Real evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) override; // handle both ions and radicals // (at least we will do what we can) bool acceptsIons() const override { return true; } bool acceptsRadicals() const override { return true; } bool acceptsUnitCell() const override { return true; } // components Real bondEnergy(const Eigen::VectorXd& x); Real angleEnergy(const Eigen::VectorXd& x); Real oopEnergy(const Eigen::VectorXd& x); Real torsionEnergy(const Eigen::VectorXd& x); Real vdwEnergy(const Eigen::VectorXd& x); void bondGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad); void angleGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad); void oopGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad); void torsionGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad); void vdwGradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad); /** * Called when the current molecule changes. */ void setMolecule(Core::Molecule* mol) override; protected: Core::Molecule* m_molecule; Core::Molecule::ElementMask m_elements; // track the particular calculations for a molecule UFFPrivate* d = nullptr; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_UFF_H OpenChemistry-avogadrolibs-ceb949f/avogadro/calc/uffdata.h000066400000000000000000000266671516317240700240020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ // Formatted as a C / C++ header for Avogadro // from RDKit Params.cpp // https://github.com/rdkit/rdkit/blob/master/Code/ForceField/UFF/Params.cpp #ifndef AVOGADRO_CALC_UFF_DATA #define AVOGADRO_CALC_UFF_DATA #include struct parameter { int element; std::string label; float r1; float theta0; float x1; float D1; float zeta; float Z1; float Vi; float Uj; float Xi; float Hard; float Radius; }; parameter uffparams[] = { { 0, "Du", 0.01, 180, 0.4, 5000, 12, 10, 0, 0, 9.66, 14.92, 0.7 }, { 1, "H_", 0.354, 180, 2.886, 0.044, 12, 0.712, 0, 0, 4.528, 6.9452, 0.371 }, { 1, "H_b", 0.46, 83.5, 2.886, 0.044, 12, 0.712, 0, 0, 4.528, 6.9452, 0.371 }, { 2, "He4+4", 0.849, 90, 2.362, 0.056, 15.24, 0.098, 0, 0, 9.66, 14.92, 1.3 }, { 3, "Li", 1.336, 180, 2.451, 0.025, 12, 1.026, 0, 2, 3.006, 2.386, 1.557 }, { 4, "Be3+2", 1.074, 109.47, 2.745, 0.085, 12, 1.565, 0, 2, 4.877, 4.443, 1.24 }, { 5, "B_3", 0.838, 109.47, 4.083, 0.18, 12.052, 1.755, 0, 2, 5.11, 4.75, 0.822 }, { 5, "B_2", 0.828, 120, 4.083, 0.18, 12.052, 1.755, 0, 2, 5.11, 4.75, 0.822 }, { 6, "C_3", 0.757, 109.47, 3.851, 0.105, 12.73, 1.912, 2.119, 2, 5.343, 5.063, 0.759 }, { 6, "C_R", 0.729, 120, 3.851, 0.105, 12.73, 1.912, 0, 2, 5.343, 5.063, 0.759 }, { 6, "C_2", 0.732, 120, 3.851, 0.105, 12.73, 1.912, 0, 2, 5.343, 5.063, 0.759 }, { 6, "C_1", 0.706, 180, 3.851, 0.105, 12.73, 1.912, 0, 2, 5.343, 5.063, 0.759 }, { 7, "N_3", 0.7, 106.7, 3.66, 0.069, 13.407, 2.544, 0.45, 2, 6.899, 5.88, 0.715 }, { 7, "N_R", 0.699, 120, 3.66, 0.069, 13.407, 2.544, 0, 2, 6.899, 5.88, 0.715 }, { 7, "N_2", 0.685, 111.2, 3.66, 0.069, 13.407, 2.544, 0, 2, 6.899, 5.88, 0.715 }, { 7, "N_1", 0.656, 180, 3.66, 0.069, 13.407, 2.544, 0, 2, 6.899, 5.88, 0.715 }, { 8, "O_3", 0.658, 104.51, 3.5, 0.06, 14.085, 2.3, 0.018, 2, 8.741, 6.682, 0.669 }, { 8, "O_3_z", 0.528, 146, 3.5, 0.06, 14.085, 2.3, 0.018, 2, 8.741, 6.682, 0.669 }, { 8, "O_R", 0.68, 110, 3.5, 0.06, 14.085, 2.3, 0, 2, 8.741, 6.682, 0.669 }, { 8, "O_2", 0.634, 120, 3.5, 0.06, 14.085, 2.3, 0, 2, 8.741, 6.682, 0.669 }, { 8, "O_1", 0.639, 180, 3.5, 0.06, 14.085, 2.3, 0, 2, 8.741, 6.682, 0.669 }, { 9, "F_", 0.668, 180, 3.364, 0.05, 14.762, 1.735, 0, 2, 10.874, 7.474, 0.706 }, { 10, "Ne4+4", 0.92, 90, 3.243, 0.042, 15.44, 0.194, 0, 2, 11.04, 10.55, 1.768 }, { 11, "Na", 1.539, 180, 2.983, 0.03, 12, 1.081, 0, 1.25, 2.843, 2.296, 2.085 }, { 12, "Mg3+2", 1.421, 109.47, 3.021, 0.111, 12, 1.787, 0, 1.25, 3.951, 3.693, 1.5 }, { 13, "Al3", 1.244, 109.47, 4.499, 0.505, 11.278, 1.792, 0, 1.25, 4.06, 3.59, 1.201 }, { 14, "Si3", 1.117, 109.47, 4.295, 0.402, 12.175, 2.323, 1.225, 1.25, 4.168, 3.487, 1.176 }, { 15, "P_3+3", 1.101, 93.8, 4.147, 0.305, 13.072, 2.863, 2.4, 1.25, 5.463, 4, 1.102 }, { 15, "P_3+5", 1.056, 109.47, 4.147, 0.305, 13.072, 2.863, 2.4, 1.25, 5.463, 4, 1.102 }, { 15, "P_3+q", 1.056, 109.47, 4.147, 0.305, 13.072, 2.863, 2.4, 1.25, 5.463, 4, 1.102 }, { 16, "S_3+2", 1.064, 92.1, 4.035, 0.274, 13.969, 2.703, 0.484, 1.25, 6.928, 4.486, 1.047 }, { 16, "S_3+4", 1.049, 103.2, 4.035, 0.274, 13.969, 2.703, 0.484, 1.25, 6.928, 4.486, 1.047 }, { 16, "S_3+6", 1.027, 109.47, 4.035, 0.274, 13.969, 2.703, 0.484, 1.25, 6.928, 4.486, 1.047 }, { 16, "S_R", 1.077, 92.2, 4.035, 0.274, 13.969, 2.703, 0, 1.25, 6.928, 4.486, 1.047 }, { 16, "S_2", 0.854, 120, 4.035, 0.274, 13.969, 2.703, 0, 1.25, 6.928, 4.486, 1.047 }, { 17, "Cl", 1.044, 180, 3.947, 0.227, 14.866, 2.348, 0, 1.25, 8.564, 4.946, 0.994 }, { 18, "Ar4+4", 1.032, 90, 3.868, 0.185, 15.763, 0.3, 0, 1.25, 9.465, 6.355, 2.108 }, { 19, "K_", 1.953, 180, 3.812, 0.035, 12, 1.165, 0, 0.7, 2.421, 1.92, 2.586 }, { 20, "Ca6+2", 1.761, 90, 3.399, 0.238, 12, 2.141, 0, 0.7, 3.231, 2.88, 2 }, { 21, "Sc3+3", 1.513, 109.47, 3.295, 0.019, 12, 2.592, 0, 0.7, 3.395, 3.08, 1.75 }, { 22, "Ti3+4", 1.412, 109.47, 3.175, 0.017, 12, 2.659, 0, 0.7, 3.47, 3.38, 1.607 }, { 22, "Ti6+4", 1.412, 90, 3.175, 0.017, 12, 2.659, 0, 0.7, 3.47, 3.38, 1.607 }, { 23, "V_3+5", 1.402, 109.47, 3.144, 0.016, 12, 2.679, 0, 0.7, 3.65, 3.41, 1.47 }, { 24, "Cr6+3", 1.345, 90, 3.023, 0.015, 12, 2.463, 0, 0.7, 3.415, 3.865, 1.402 }, { 25, "Mn6+2", 1.382, 90, 2.961, 0.013, 12, 2.43, 0, 0.7, 3.325, 4.105, 1.533 }, { 26, "Fe3+2", 1.27, 109.47, 2.912, 0.013, 12, 2.43, 0, 0.7, 3.76, 4.14, 1.393 }, { 26, "Fe6+2", 1.335, 90, 2.912, 0.013, 12, 2.43, 0, 0.7, 3.76, 4.14, 1.393 }, { 27, "Co6+3", 1.241, 90, 2.872, 0.014, 12, 2.43, 0, 0.7, 4.105, 4.175, 1.406 }, { 28, "Ni4+2", 1.164, 90, 2.834, 0.015, 12, 2.43, 0, 0.7, 4.465, 4.205, 1.398 }, { 29, "Cu3+1", 1.302, 109.47, 3.495, 0.005, 12, 1.756, 0, 0.7, 4.2, 4.22, 1.434 }, { 30, "Zn3+2", 1.193, 109.47, 2.763, 0.124, 12, 1.308, 0, 0.7, 5.106, 4.285, 1.4 }, { 31, "Ga3+3", 1.26, 109.47, 4.383, 0.415, 11, 1.821, 0, 0.7, 3.641, 3.16, 1.211 }, { 32, "Ge3", 1.197, 109.47, 4.28, 0.379, 12, 2.789, 0.701, 0.7, 4.051, 3.438, 1.189 }, { 33, "As3+3", 1.211, 92.1, 4.23, 0.309, 13, 2.864, 1.5, 0.7, 5.188, 3.809, 1.204 }, { 34, "Se3+2", 1.19, 90.6, 4.205, 0.291, 14, 2.764, 0.335, 0.7, 6.428, 4.131, 1.224 }, { 35, "Br", 1.192, 180, 4.189, 0.251, 15, 2.519, 0, 0.7, 7.79, 4.425, 1.141 }, { 36, "Kr4+4", 1.147, 90, 4.141, 0.22, 16, 0.452, 0, 0.7, 8.505, 5.715, 2.27 }, { 37, "Rb", 2.26, 180, 4.114, 0.04, 12, 1.592, 0, 0.2, 2.331, 1.846, 2.77 }, { 38, "Sr6+2", 2.052, 90, 3.641, 0.235, 12, 2.449, 0, 0.2, 3.024, 2.44, 2.415 }, { 39, "Y_3+3", 1.698, 109.47, 3.345, 0.072, 12, 3.257, 0, 0.2, 3.83, 2.81, 1.998 }, { 40, "Zr3+4", 1.564, 109.47, 3.124, 0.069, 12, 3.667, 0, 0.2, 3.4, 3.55, 1.758 }, { 41, "Nb3+5", 1.473, 109.47, 3.165, 0.059, 12, 3.618, 0, 0.2, 3.55, 3.38, 1.603 }, { 42, "Mo6+6", 1.467, 90, 3.052, 0.056, 12, 3.4, 0, 0.2, 3.465, 3.755, 1.53 }, { 42, "Mo3+6", 1.484, 109.47, 3.052, 0.056, 12, 3.4, 0, 0.2, 3.465, 3.755, 1.53 }, { 43, "Tc6+5", 1.322, 90, 2.998, 0.048, 12, 3.4, 0, 0.2, 3.29, 3.99, 1.5 }, { 44, "Ru6+2", 1.478, 90, 2.963, 0.056, 12, 3.4, 0, 0.2, 3.575, 4.015, 1.5 }, { 45, "Rh6+3", 1.332, 90, 2.929, 0.053, 12, 3.5, 0, 0.2, 3.975, 4.005, 1.509 }, { 46, "Pd4+2", 1.338, 90, 2.899, 0.048, 12, 3.21, 0, 0.2, 4.32, 4, 1.544 }, { 47, "Ag1+1", 1.386, 180, 3.148, 0.036, 12, 1.956, 0, 0.2, 4.436, 3.134, 1.622 }, { 48, "Cd3+2", 1.403, 109.47, 2.848, 0.228, 12, 1.65, 0, 0.2, 5.034, 3.957, 1.6 }, { 49, "In3+3", 1.459, 109.47, 4.463, 0.599, 11, 2.07, 0, 0.2, 3.506, 2.896, 1.404 }, { 50, "Sn3", 1.398, 109.47, 4.392, 0.567, 12, 2.961, 0.199, 0.2, 3.987, 3.124, 1.354 }, { 50, "Sb3+3", 1.407, 91.6, 4.42, 0.449, 13, 2.704, 1.1, 0.2, 4.899, 3.342, 1.404 }, { 51, "Te3+2", 1.386, 90.25, 4.47, 0.398, 14, 2.882, 0.3, 0.2, 5.816, 3.526, 1.38 }, { 52, "I_", 1.382, 180, 4.5, 0.339, 15, 2.65, 0, 0.2, 6.822, 3.762, 1.333 }, { 53, "Xe4+4", 1.267, 90, 4.404, 0.332, 12, 0.556, 0, 0.2, 7.595, 4.975, 2.459 }, { 54, "Cs", 2.57, 180, 4.517, 0.045, 12, 1.573, 0, 0.1, 2.183, 1.711, 2.984 }, { 55, "Ba6+2", 2.277, 90, 3.703, 0.364, 12, 2.727, 0, 0.1, 2.814, 2.396, 2.442 }, { 56, "La3+3", 1.943, 109.47, 3.522, 0.017, 12, 3.3, 0, 0.1, 2.8355, 2.7415, 2.071 }, { 57, "Ce6+3", 1.841, 90, 3.556, 0.013, 12, 3.3, 0, 0.1, 2.774, 2.692, 1.925 }, { 58, "Pr6+3", 1.823, 90, 3.606, 0.01, 12, 3.3, 0, 0.1, 2.858, 2.564, 2.007 }, { 59, "Nd6+3", 1.816, 90, 3.575, 0.01, 12, 3.3, 0, 0.1, 2.8685, 2.6205, 2.007 }, { 60, "Pm6+3", 1.801, 90, 3.547, 0.009, 12, 3.3, 0, 0.1, 2.881, 2.673, 2 }, { 61, "Sm6+3", 1.78, 90, 3.52, 0.008, 12, 3.3, 0, 0.1, 2.9115, 2.7195, 1.978 }, { 62, "Eu6+3", 1.771, 90, 3.493, 0.008, 12, 3.3, 0, 0.1, 2.8785, 2.7875, 2.227 }, { 63, "Gd6+3", 1.735, 90, 3.368, 0.009, 12, 3.3, 0, 0.1, 3.1665, 2.9745, 1.968 }, { 64, "Tb6+3", 1.732, 90, 3.451, 0.007, 12, 3.3, 0, 0.1, 3.018, 2.834, 1.954 }, { 65, "Dy6+3", 1.71, 90, 3.428, 0.007, 12, 3.3, 0, 0.1, 3.0555, 2.8715, 1.934 }, { 66, "Ho6+3", 1.696, 90, 3.409, 0.007, 12, 3.416, 0, 0.1, 3.127, 2.891, 1.925 }, { 67, "Er6+3", 1.673, 90, 3.391, 0.007, 12, 3.3, 0, 0.1, 3.1865, 2.9145, 1.915 }, { 68, "Tm6+3", 1.66, 90, 3.374, 0.006, 12, 3.3, 0, 0.1, 3.2514, 2.9329, 2 }, { 69, "Yb6+3", 1.637, 90, 3.355, 0.228, 12, 2.618, 0, 0.1, 3.2889, 2.965, 2.158 }, { 70, "Lu6+3", 1.671, 90, 3.64, 0.041, 12, 3.271, 0, 0.1, 2.9629, 2.4629, 1.896 }, { 71, "Hf3+4", 1.611, 109.47, 3.141, 0.072, 12, 3.921, 0, 0.1, 3.7, 3.4, 1.759 }, { 72, "Ta3+5", 1.511, 109.47, 3.17, 0.081, 12, 4.075, 0, 0.1, 5.1, 2.85, 1.605 }, { 73, "W_6+6", 1.392, 90, 3.069, 0.067, 12, 3.7, 0, 0.1, 4.63, 3.31, 1.538 }, { 73, "W_3+4", 1.526, 109.47, 3.069, 0.067, 12, 3.7, 0, 0.1, 4.63, 3.31, 1.538 }, { 73, "W_3+6", 1.38, 109.47, 3.069, 0.067, 12, 3.7, 0, 0.1, 4.63, 3.31, 1.538 }, { 74, "Re6+5", 1.372, 90, 2.954, 0.066, 12, 3.7, 0, 0.1, 3.96, 3.92, 1.6 }, { 74, "Re3+7", 1.314, 109.47, 2.954, 0.066, 12, 3.7, 0, 0.1, 3.96, 3.92, 1.6 }, { 75, "Os6+6", 1.372, 90, 3.12, 0.037, 12, 3.7, 0, 0.1, 5.14, 3.63, 1.7 }, { 76, "Ir6+3", 1.371, 90, 2.84, 0.073, 12, 3.731, 0, 0.1, 5, 4, 1.866 }, { 77, "Pt4+2", 1.364, 90, 2.754, 0.08, 12, 3.382, 0, 0.1, 4.79, 4.43, 1.557 }, { 78, "Au4+3", 1.262, 90, 3.293, 0.039, 12, 2.625, 0, 0.1, 4.894, 2.586, 1.618 }, { 79, "Hg1+2", 1.34, 180, 2.705, 0.385, 12, 1.75, 0, 0.1, 6.27, 4.16, 1.6 }, { 80, "Tl3+3", 1.518, 120, 4.347, 0.68, 11, 2.068, 0, 0.1, 3.2, 2.9, 1.53 }, { 81, "Pb3", 1.459, 109.47, 4.297, 0.663, 12, 2.846, 0.1, 0.1, 3.9, 3.53, 1.444 }, { 82, "Bi3+3", 1.512, 90, 4.37, 0.518, 13, 2.47, 1, 0.1, 4.69, 3.74, 1.514 }, { 83, "Po3+2", 1.5, 90, 4.709, 0.325, 14, 2.33, 0.3, 0.1, 4.21, 4.21, 1.48 }, { 84, "At", 1.545, 180, 4.75, 0.284, 15, 2.24, 0, 0.1, 4.75, 4.75, 1.47 }, { 85, "Rn4+4", 1.42, 90, 4.765, 0.248, 16, 0.583, 0, 0.1, 5.37, 5.37, 2.2 }, { 86, "Fr", 2.88, 180, 4.9, 0.05, 12, 1.847, 0, 0, 2, 2, 2.3 }, { 87, "Ra6+2", 2.512, 90, 3.677, 0.404, 12, 2.92, 0, 0, 2.843, 2.434, 2.2 }, { 88, "Ac6+3", 1.983, 90, 3.478, 0.033, 12, 3.9, 0, 0, 2.835, 2.835, 2.108 }, { 89, "Th6+4", 1.721, 90, 3.396, 0.026, 12, 4.202, 0, 0, 3.175, 2.905, 2.018 }, { 90, "Pa6+4", 1.711, 90, 3.424, 0.022, 12, 3.9, 0, 0, 2.985, 2.905, 1.8 }, { 91, "U_6+4", 1.684, 90, 3.395, 0.022, 12, 3.9, 0, 0, 3.341, 2.853, 1.713 }, { 92, "Np6+4", 1.666, 90, 3.424, 0.019, 12, 3.9, 0, 0, 3.549, 2.717, 1.8 }, { 93, "Pu6+4", 1.657, 90, 3.424, 0.016, 12, 3.9, 0, 0, 3.243, 2.819, 1.84 }, { 94, "Am6+4", 1.66, 90, 3.381, 0.014, 12, 3.9, 0, 0, 2.9895, 3.0035, 1.942 }, { 95, "Cm6+3", 1.801, 90, 3.326, 0.013, 12, 3.9, 0, 0, 2.8315, 3.1895, 1.9 }, { 96, "Bk6+3", 1.761, 90, 3.339, 0.013, 12, 3.9, 0, 0, 3.1935, 3.0355, 1.9 }, { 97, "Cf6+3", 1.75, 90, 3.313, 0.013, 12, 3.9, 0, 0, 3.197, 3.101, 1.9 }, { 98, "Es6+3", 1.724, 90, 3.299, 0.012, 12, 3.9, 0, 0, 3.333, 3.089, 1.9 }, { 99, "Fm6+3", 1.712, 90, 3.286, 0.012, 12, 3.9, 0, 0, 3.4, 3.1, 1.9 }, { 100, "Md6+3", 1.689, 90, 3.274, 0.011, 12, 3.9, 0, 0, 3.47, 3.11, 1.9 }, { 101, "No6+3", 1.679, 90, 3.248, 0.011, 12, 3.9, 0, 0, 3.475, 3.175, 1.9 }, { 102, "Lw6+3", 1.698, 90, 3.236, 0.011, 12, 3.9, 0, 0, 3.5, 3.2, 1.9 } }; #endif // AVOGADRO_CALC_UFF_DATA_H OpenChemistry-avogadrolibs-ceb949f/avogadro/command/000077500000000000000000000000001516317240700227125ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/command/CMakeLists.txt000066400000000000000000000004021516317240700254460ustar00rootroot00000000000000add_executable(avocjsontocml cjsontocml.cpp) target_link_libraries(avocjsontocml Avogadro::IO) add_executable(avobabel avobabel.cpp) target_link_libraries(avobabel Avogadro::IO) add_executable(qube qube.cpp) target_link_libraries(qube Avogadro::QuantumIO) OpenChemistry-avogadrolibs-ceb949f/avogadro/command/avobabel.cpp000066400000000000000000000053101516317240700251700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; using std::cin; using std::cout; using std::endl; using std::ostringstream; using std::string; void printHelp(); int main(int argc, char* argv[]) { // Process the command line arguments, see what has been requested. string inFormat; string outFormat; string inFile; string outFile; for (int i = 1; i < argc; ++i) { string current(argv[i]); if (current == "--help" || current == "-h") { printHelp(); return 0; } else if (current == "--version" || current == "-v") { cout << "Version: " << Avogadro::version() << endl; return 0; } else if (current == "-i" && i + 1 < argc) { inFormat = argv[++i]; cout << "input format " << inFormat << endl; } else if (current == "-o" && i + 1 < argc) { outFormat = argv[++i]; cout << "output format " << outFormat << endl; } else if (inFile.empty()) { inFile = argv[i]; } else if (outFile.empty()) { outFile = argv[i]; } } // Now read/write the molecule, if possible. Otherwise output errors. FileFormatManager& mgr = FileFormatManager::instance(); Molecule mol; if (!inFile.empty()) { if (!mgr.readFile(mol, inFile, inFormat)) { cout << "Failed to read " << inFile << " (" << inFormat << ")" << endl; return 1; } } else if (!inFormat.empty()) { ostringstream inFileString; string line; while (getline(cin, line)) inFileString << line; if (!inFileString.str().empty()) { if (!mgr.readString(mol, inFileString.str(), inFormat)) { cout << "Failed to read input stream: " << inFileString.str() << endl; return 1; } } } else { cout << "Error, no input file or stream supplied with format." << endl; } if (!outFile.empty()) { if (!mgr.writeFile(mol, outFile, outFormat)) { cout << "Failed to write " << outFile << " (" << outFormat << ")" << endl; return 1; } } else { if (outFormat.empty()) outFormat = "cjson"; string out; mgr.writeString(mol, out, outFormat); cout << out << endl; } return 0; } void printHelp() { cout << "Usage: avobabel [-i ] [-o ] " "\n" << endl; } OpenChemistry-avogadrolibs-ceb949f/avogadro/command/cjsontocml.cpp000066400000000000000000000015531516317240700255750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "avogadro/core/molecule.h" #include "avogadro/io/fileformatmanager.h" #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; using std::cin; using std::cout; using std::ostringstream; using std::string; int main() { FileFormatManager& mgr = FileFormatManager::instance(); Molecule mol; ostringstream cjson; string line; while (getline(cin, line)) { cjson << line; } mgr.readString(mol, cjson.str(), "cjson"); string cml; mgr.writeString(mol, cml, "cml"); cout << cml; } OpenChemistry-avogadrolibs-ceb949f/avogadro/command/qube.cpp000066400000000000000000000120751516317240700243570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Cube; using Avogadro::Core::GaussianSetTools; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; using std::cin; using std::cout; using std::endl; using std::ostringstream; using std::string; using Eigen::Vector3d; using Eigen::Vector3i; static const double BOHR_TO_ANGSTROM = 0.529177249; static const double ANGSTROM_TO_BOHR = 1.0 / BOHR_TO_ANGSTROM; void printHelp(); int main(int argc, char* argv[]) { // Register our quantum file format. FileFormatManager& mgr = FileFormatManager::instance(); mgr.registerFormat(new Avogadro::QuantumIO::GAMESSUSOutput); mgr.registerFormat(new Avogadro::QuantumIO::GaussianFchk); mgr.registerFormat(new Avogadro::QuantumIO::MoldenFile); mgr.registerFormat(new Avogadro::QuantumIO::MopacAux); // Process the command line arguments, see what has been requested. string inFormat; int orbitalNumber = 0; string inFile; bool density = false; for (int i = 1; i < argc; ++i) { string current(argv[i]); if (current == "--help" || current == "-h") { printHelp(); return 0; } else if (current == "--version" || current == "-v") { cout << "Version: " << Avogadro::version() << endl; return 0; } else if (current == "-i" && i + 1 < argc) { inFormat = argv[++i]; cout << "input format " << inFormat << endl; } else if (current == "-orb" && i + 1 < argc) { orbitalNumber = atoi(argv[++i]); // cout << "plot orbital " << orbitalNumber << endl; } else if (current == "-dens" && i < argc) { density = true; } else if (inFile.empty()) { inFile = argv[i]; } } // Now read/write the molecule, if possible. Otherwise output errors. Molecule mol; if (!inFile.empty()) { if (!mgr.readFile(mol, inFile, inFormat)) { cout << "Failed to read " << inFile << " (" << inFormat << ")" << endl; return 1; } } else if (!inFormat.empty()) { ostringstream inFileString; string line; while (getline(cin, line)) inFileString << line; if (!inFileString.str().empty()) { if (!mgr.readString(mol, inFileString.str(), inFormat)) { cout << "Failed to read input stream: " << inFileString.str() << endl; return 1; } } } else { cout << "Error, no input file or stream supplied with format." << endl; } if ((orbitalNumber > 0) && density) { cout << "Error, choose either density or a single orbital, not both." << endl; return 1; } // cube header cout << "Avogadro generated cube" << endl; if (orbitalNumber > 0) cout << "Orbital " << orbitalNumber << endl; else cout << "Electron Density" << endl; // set box dimensions in Bohr Vector3d min = Vector3d(-10.0, -10.0, -10.0); Vector3d max = Vector3d(10.0, 10.0, 10.0); Vector3i points = Vector3i(61, 61, 61); Cube* m_qube = new Cube; m_qube->setLimits(min * BOHR_TO_ANGSTROM, max * BOHR_TO_ANGSTROM, points); min = m_qube->position(0) * ANGSTROM_TO_BOHR; Vector3d spacing = m_qube->spacing() * ANGSTROM_TO_BOHR; int nat = mol.atomCount(); printf("%4d %11.6f %11.6f %11.6f\n", nat, min.x(), min.y(), min.z()); printf("%4d %11.6f %11.6f %11.6f\n", points.x(), spacing.x(), 0.0, 0.0); printf("%4d %11.6f %11.6f %11.6f\n", points.y(), 0.0, spacing.y(), .0); printf("%4d %11.6f %11.6f %11.6f\n", points.z(), 0.0, 0.0, spacing.z()); // atoms for (int iatom = 0; iatom < nat; iatom++) { printf("%4d %11.6f %11.6f %11.6f %11.6f\n", mol.atomicNumber(iatom), 0.0, mol.atomPosition3d(iatom).x() * ANGSTROM_TO_BOHR, mol.atomPosition3d(iatom).y() * ANGSTROM_TO_BOHR, mol.atomPosition3d(iatom).z() * ANGSTROM_TO_BOHR); } if (orbitalNumber > 0) cout << "1 " << orbitalNumber << endl; auto* m_tools = new GaussianSetTools(&mol); // print the qube values int linecount = 0; for (unsigned int i = 0; i < m_qube->data()->size(); i++) { if (i % points.z() == 0 && i > 0) { linecount = 0; printf("\n"); } double value = m_tools->calculateMolecularOrbital(m_qube->position(i), orbitalNumber); printf("%13.5E", value); // line wrapping linecount++; if (linecount % 6 == 0 && i > 0) printf("\n"); else printf(" "); } printf("\n"); return 0; } void printHelp() { cout << "Usage: qube [-i ] [-dens] [-orb ] [-v / --version] \n" << endl; } OpenChemistry-avogadrolibs-ceb949f/avogadro/core/000077500000000000000000000000001516317240700222245ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/core/CMakeLists.txt000066400000000000000000000052621516317240700247710ustar00rootroot00000000000000find_package(Eigen3 REQUIRED) # configure the version header configure_file("${PROJECT_SOURCE_DIR}/cmake/version.h.in" "${CMAKE_CURRENT_BINARY_DIR}/version.h") # Separate out header only components into an interface library. add_library(Headers INTERFACE) add_library(Avogadro::Headers ALIAS Headers) target_include_directories(Headers INTERFACE "$") target_sources(Headers PUBLIC FILE_SET HEADERS BASE_DIRS ${PROJECT_SOURCE_DIR} FILES angletools.h angleiterator.h array.h avogadrocore.h color3f.h constraint.h contrastcolor.h coordinateset.h matrix.h types.h utilities.h vector.h ) target_link_libraries(Headers INTERFACE Eigen3::Eigen) install(TARGETS Headers EXPORT "AvogadroLibsTargets" FILE_SET HEADERS DESTINATION "${INSTALL_INCLUDE_DIR}") # Now add the main core library for Avogadro. add_library(Core) avogadro_headers(Core atom.h atomtyper.h atomtyper-inline.h atomutilities.h basisset.h bond.h coordinateblockgenerator.h crystaltools.h cube.h dihedraliterator.h elements.h gaussianset.h gaussiansettools.h graph.h internalcoordinates.h layer.h layermanager.h mesh.h molecule.h mutex.h nameatomtyper.h neighborperceiver.h residue.h ringperceiver.h secondarystructure.h slaterset.h slatersettools.h spacegroups.h symbolatomtyper.h unitcell.h variant.h variant-inline.h variantmap.h "${CMAKE_CURRENT_BINARY_DIR}/version.h" ) target_sources(Core PRIVATE angleiterator.cpp atomutilities.cpp coordinateblockgenerator.cpp crystaltools.cpp cube.cpp elements.cpp dihedraliterator.cpp gaussianset.cpp gaussiansettools.cpp graph.cpp internalcoordinates.cpp layer.cpp layermanager.cpp mesh.cpp mdlvalence_p.h molecule.cpp mutex.cpp nameatomtyper.cpp neighborperceiver.cpp residue.cpp ringperceiver.cpp secondarystructure.cpp slaterset.cpp slatersettools.cpp spacegroups.cpp symbolatomtyper.cpp unitcell.cpp variantmap.cpp version.cpp ) # We currently build core without shared_mutex for Python wheels. if(NOT PYTHON_WHEEL_BUILD) avogadro_headers(Core sharedmutex.h) target_sources(Core PRIVATE sharedmutex.cpp) endif() if(USE_SPGLIB) find_package(Spglib REQUIRED) avogadro_headers(Core avospglib.h) target_sources(Core PRIVATE avospglib.cpp) target_link_libraries(Core PRIVATE Spglib::symspg) endif() # The std::shared_mutex class needs pthreads on Linux. if(UNIX AND NOT APPLE AND NOT PYTHON_WHEEL_BUILD) find_package(Threads) target_link_libraries(Core PRIVATE ${CMAKE_THREAD_LIBS_INIT}) endif() avogadro_add_library(Core) target_link_libraries(Core PUBLIC Avogadro::Headers) OpenChemistry-avogadrolibs-ceb949f/avogadro/core/angleiterator.cpp000066400000000000000000000051121516317240700255670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "angleiterator.h" #include #include namespace Avogadro::Core { AngleIterator::AngleIterator(const Molecule* mol) : m_a(MaxIndex), m_b(0), m_c(MaxIndex), m_mol(mol) { } Angle AngleIterator::begin() { return ++(*this); } Angle AngleIterator::operator++() { // never any angles if (m_mol == nullptr || m_mol->atomCount() < 3 || m_mol->bondCount() < 2) return std::make_tuple(MaxIndex, MaxIndex, MaxIndex); Graph graph = m_mol->graph(); Index count = m_mol->atomCount(); // true if we have a valid current state // (i.e. false at the start since a == b == c) bool valid = (m_a != MaxIndex && m_c != MaxIndex); Index aIndex = MaxIndex; Index cIndex = MaxIndex; // if we don't have a valid state, try to find an initial angle if (!valid) { for (Index i = 0; i < count; ++i) { const auto& neighbors = graph.neighbors(i); if (neighbors.size() < 2) continue; m_b = i; m_a = 0; m_c = 1; aIndex = neighbors[m_a]; cIndex = neighbors[m_c]; valid = true; break; } } else { // we have a valid state, try to find the next angle const auto& neighbors = graph.neighbors(m_b); // first check if we can increment m_c if (m_c + 1 < neighbors.size()) { ++m_c; aIndex = neighbors[m_a]; cIndex = neighbors[m_c]; } else { // we can't increment m_c, try to increment m_a if (m_a < neighbors.size() - 2) { ++m_a; m_c = m_a + 1; aIndex = neighbors[m_a]; cIndex = neighbors[m_c]; } else { // we can't increment m_a, try to increment m_b // and reset m_a and m_c valid = false; for (Index i = m_b + 1; i < count; ++i) { const auto& newNeighbors = graph.neighbors(i); if (newNeighbors.size() < 2) continue; m_b = i; m_a = 0; m_c = 1; aIndex = newNeighbors[m_a]; cIndex = newNeighbors[m_c]; valid = true; break; } } } } if (valid) { m_current = std::make_tuple(aIndex, m_b, cIndex); } else // no more valid angles m_current = std::make_tuple(MaxIndex, MaxIndex, MaxIndex); return m_current; } // end ++ operator } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/angleiterator.h000066400000000000000000000024021516317240700252330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ANGLEITERATOR_H #define AVOGADRO_CORE_ANGLEITERATOR_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { class Molecule; using Angle = std::tuple; class AVOGADROCORE_EXPORT AngleIterator { public: /** * Constructor. */ AngleIterator(const Molecule* mol); ~AngleIterator() {} Angle* operator*() { return &m_current; } Angle begin(); Angle end() const { return std::make_tuple(Avogadro::MaxIndex, Avogadro::MaxIndex, Avogadro::MaxIndex); } Angle operator++(); bool operator!=(const AngleIterator& other) { return (m_a != other.m_a || m_b != other.m_b || m_c != other.m_c); } private: // m_b is the current vertex // m_a and m_c are instead index into the neighbors of m_b Index m_a, m_b, m_c; Angle m_current; const Molecule* m_mol; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ANGLEITERATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/angletools.h000066400000000000000000000077631516317240700245610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ANGLETOOLS_H #define AVOGADRO_CORE_ANGLETOOLS_H #include #include #include namespace Avogadro { /** * Calculate the bond angle between two bond vectors. * @param b0 The first bond vector (a-b) * @param b1 The second bond vector (b-c) * @return The bond angle in degrees. */ inline Real bondAngle(const Vector3& b0, const Vector3& b1) { // standard formula, e.g. // https://scicomp.stackexchange.com/q/27689/14517 // Since we're using bonds, v. small angles are okay // only problem is if bond lengths are v. v. small // but that's unlikely in practice const Real dot = -1.0 * b0.dot(b1); const Real norms = b0.norm() * b1.norm(); return std::acos(dot / norms) * RAD_TO_DEG_D; } /** * Calculate the dihedral angle between three bond vectors. * @param b0 The first bond vector (a-b) * @param b1 The second bond vector (b-c) * @param b2 The third bond vector (c-d) * @return The dihedral angle in degrees. */ inline Real dihedralAngle(const Vector3& b0, const Vector3& b1, const Vector3& b2) { // See Praxeolitic https://stackoverflow.com/a/34245697/131896 const Vector3 n0 = -1.0 * b0; const Vector3 b1n = b1.normalized(); // v = projection of b0 onto plane perpendicular to b1 // = n0 minus component that aligns with b1 // w = projection of b2 onto plane perpendicular to b1 // = b2 minus component that aligns with b1 const Vector3 v = n0 - n0.dot(b1n) * b1n; const Vector3 w = b2 - b2.dot(b1n) * b1n; // angle between v and w in a plane is the torsion angle // v and w may not be normalized but that's fine since tan is y/x const Real x(v.dot(w)); const Real y(b1n.cross(v).dot(w)); return std::atan2(y, x) * RAD_TO_DEG_D; } /** * Calculate the angle between three points in space. * @param v1 The first point. * @param v2 The second point (vertex). * @param v3 The third point. * @return The angle in degrees. */ inline Real calculateAngle(const Vector3& v1, const Vector3& v2, const Vector3& v3) { Vector3 v12 = v1 - v2; Vector3 v23 = v2 - v3; return bondAngle(v12, v23); } /** * Calculate the dihedral angle between four points in space. * @param v1 The first point. * @param v2 The second point. * @param v3 The third point. * @param v4 The fourth point. * @return The dihedral angle in degrees. */ inline Real calculateDihedral(const Vector3& v1, const Vector3& v2, const Vector3& v3, const Vector3& v4) { Vector3 v12 = v2 - v1; Vector3 v23 = v3 - v2; Vector3 v34 = v4 - v3; return dihedralAngle(v12, v23, v34); } /** * Calculate the Wilson out-of-plane angle for a central atom. * Uses the Wilson angle definition: * sin(chi) = (u1 x u2) . u3 / |u1 x u2| * where u1, u2, u3 are unit vectors from the central atom to b, c, d. * @param point The central atom. * @param b The first surrounding atom. * @param c The second surrounding atom. * @param d The third surrounding atom (out-of-plane atom). * @return The out-of-plane angle in degrees. */ inline Real outOfPlaneAngle(const Vector3& point, const Vector3& b, const Vector3& c, const Vector3& d) { Vector3 u1 = b - point; Vector3 u2 = c - point; Vector3 u3 = d - point; const Real r1 = u1.norm(); const Real r2 = u2.norm(); const Real r3 = u3.norm(); if (r1 < 1e-10 || r2 < 1e-10 || r3 < 1e-10) return 0.0; u1 /= r1; u2 /= r2; u3 /= r3; const Vector3 n = u1.cross(u2); const Real sinTheta = n.norm(); if (sinTheta < 1e-10) return 0.0; Real sinChi = std::clamp(n.dot(u3) / sinTheta, -1.0, 1.0); return std::asin(sinChi) * RAD_TO_DEG_D; } } // namespace Avogadro #endif // AVOGADRO_CORE_ANGLETOOLS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/array.h000066400000000000000000000231461516317240700235210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ARRAY_H #define AVOGADRO_CORE_ARRAY_H #include "avogadrocore.h" #include #include namespace Avogadro::Core { using std::size_t; namespace internal { template class ArrayRefContainer { public: using ValueType = T; using Parent = std::vector; // The parent container for iterators etc // STL compatibility, forward typedefs from std::vector: using value_type = typename Parent::value_type; using allocator_type = typename Parent::allocator_type; using reference = typename Parent::reference; using const_reference = typename Parent::const_reference; using pointer = typename Parent::pointer; using const_pointer = typename Parent::const_pointer; using iterator = typename Parent::iterator; using const_iterator = typename Parent::const_iterator; using reverse_iterator = typename Parent::reverse_iterator; using const_reverse_iterator = typename Parent::const_reverse_iterator; using difference_type = typename Parent::difference_type; using size_type = typename Parent::size_type; ArrayRefContainer() : m_ref(1), data() {} explicit ArrayRefContainer(const size_t n, const ValueType& value = ValueType()) : m_ref(1), data(n, value) { } ArrayRefContainer(const ArrayRefContainer& other) : m_ref(1), data(other.data) { } template ArrayRefContainer(InputIterator first, InputIterator last) : m_ref(1), data(first, last) { } // Increment the reference count. void reref() { ++m_ref; } // Decrement the reference count, return true unless the reference count has // dropped to zero. When it returns false, this object should be deleted. bool deref() { if (m_ref) --m_ref; return m_ref > 0; } unsigned int ref() const { return m_ref; } // Reference count unsigned int m_ref; // Container for our data std::vector data; }; } // namespace internal /** * @class Array array.h * @brief Base class for array containers. * * This templated class gives us a container with copy-on-write semantics, * allowing for functions to effectively share data without exposing access or * copying large amounts of data until the container is changed. * * All const functions can be called without copying any data, but a call to a * non-const function will trigger a detach call. This is a no-op when the * reference count is 1, and will perform a deep copy when the reference count * is greater than 1. */ template class Array { public: using Container = internal::ArrayRefContainer; using ValueType = T; /** Typedefs for STL compatibility @{ */ using value_type = typename Container::value_type; using allocator_type = typename Container::allocator_type; using reference = typename Container::reference; using const_reference = typename Container::const_reference; using pointer = typename Container::pointer; using const_pointer = typename Container::const_pointer; using iterator = typename Container::iterator; using const_iterator = typename Container::const_iterator; using reverse_iterator = typename Container::reverse_iterator; using const_reverse_iterator = typename Container::const_reverse_iterator; using difference_type = typename Container::difference_type; using size_type = typename Container::size_type; /** @} */ /** Constructors for new containers. */ Array() : d(new Container()) {} explicit Array(const size_t n, const ValueType& value = ValueType()) : d(new Container(n, value)) { } template Array(InputIterator first, InputIterator last) : d(new Container(first, last)) { } /** Copy constructor, note the copy made of the internal data of other. */ Array(const Array& other) { other.d->reref(); d = other.d; } ~Array(); /** * Explicitly detach from any other implicitly shared containers. This is not * normally necessary, but can be useful when you want to ensure you have a * copy of all data. */ void detachWithCopy(); /** * Explicitly detach from any other implicitly shared containers. This * version does not copy the data. */ void detach(); /** Retrieve a pointer to the underlying data. */ T* data() { detachWithCopy(); return d->data.data(); } const T* data() const { return d->data.data(); } const T* constData() const { return d->data.data(); } size_t size() const { return d->data.size(); } size_t max_size() const { return d->data.max_size(); } bool empty() const { return d->data.empty(); } size_t capacity() const { return d->data.capacity(); } void reserve(const size_t& sz) { detachWithCopy(); d->data.reserve(sz); } void resize(const size_t& sz, const ValueType& t = ValueType()) { detachWithCopy(); d->data.resize(sz, t); } void clear() { detach(); d->data.clear(); } const_iterator begin() const { return d->data.begin(); } const_iterator end() const { return d->data.end(); } iterator begin() { detachWithCopy(); return d->data.begin(); } iterator end() { detachWithCopy(); return d->data.end(); } const_reverse_iterator rbegin() const { return d->data.rbegin(); } const_reverse_iterator rend() const { return d->data.rend(); } reverse_iterator rbegin() { detachWithCopy(); return d->data.rbegin(); } reverse_iterator rend() { detachWithCopy(); return d->data.rend(); } reference front() { detachWithCopy(); return d->data.front(); } const_reference front() const { return d->data.front(); } reference back() { detachWithCopy(); return d->data.back(); } const_reference back() const { return d->data.back(); } template void assign(InputIterator first, InputIterator last) { detachWithCopy(); d->data.assign(first, last); } void assign(size_type n, const value_type& val) { detachWithCopy(); d->data.assign(n, val); } void push_back(const ValueType& v) { detachWithCopy(); d->data.push_back(v); } void pop_back() { detachWithCopy(); d->data.pop_back(); } iterator insert(iterator position, const value_type& val) { detachWithCopy(); return d->data.insert(position, val); } void insert(iterator position, size_type n, const value_type& val) { detachWithCopy(); d->data.insert(position, n, val); } template void insert(iterator position, InputIterator first, InputIterator last) { detachWithCopy(); d->data.insert(position, first, last); } iterator erase(iterator position) { detachWithCopy(); return d->data.erase(position); } iterator erase(iterator first, iterator last) { detachWithCopy(); return d->data.erase(first, last); } const ValueType& operator[](const std::size_t& idx) const { return d->data[idx]; } ValueType& operator[](const std::size_t& idx) { detachWithCopy(); return d->data[idx]; } ValueType at(const std::size_t& idx) const { return d->data.at(idx); } template Array& operator=(const std::vector& v) { detach(); d->data = v; return *this; } template Array& operator=(const Array& v) { detach(); d->data = v.d->data; return *this; } Array& operator=(const Array& v) { if (this != &v) { detach(); d->data = v.d->data; } return *this; } void swap(Array& other) { using std::swap; swap(d, other.d); } /** * @param index array position to delete * if the index is valid swap it with the last position and pop back. * This function does not preserve the elements order. */ void swapAndPop(Index index) { if (index >= d->data.size()) { return; } detachWithCopy(); if (index != d->data.size() - 1) { d->data[index] = d->data.back(); } d->data.pop_back(); } protected: Container* d; }; template inline Array::~Array() { if (d && !d->deref()) delete d; } template inline void Array::detachWithCopy() { if (d && d->ref() != 1) { auto* o = new Container(*d); d->deref(); d = o; } } template inline void Array::detach() { if (d && d->ref() != 1) { d->deref(); d = new Container; } } template inline bool operator==(const Array& lhs, const Array& rhs) { return lhs.size() == rhs.size() && std::equal(lhs.begin(), lhs.end(), rhs.begin()); } template inline bool operator!=(const Array& lhs, const Array& rhs) { return !(lhs == rhs); } template inline bool operator<(const Array& lhs, const Array& rhs) { return std::lexicographical_compare(lhs.begin(), lhs.end(), rhs.begin(), rhs.end()); } template inline bool operator>(const Array& lhs, const Array& rhs) { return rhs < lhs; } template inline bool operator<=(const Array& lhs, const Array& rhs) { return !(rhs < lhs); } template inline bool operator>=(const Array& lhs, const Array& rhs) { return !(lhs < rhs); } template inline void swap(Array& lhs, Array& rhs) { lhs.swap(rhs); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ARRAY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/atom.h000066400000000000000000000230011516317240700233310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ATOM_H #define AVOGADRO_CORE_ATOM_H #include "avogadrocore.h" #include "elements.h" #include "vector.h" namespace Avogadro::Core { enum AtomHybridization { PerceivedOctaheadral = -6, PerceivedTrigonalBipyramidal = -5, PerceivedSquarePlanar = -4, PerceivedSP3 = -3, PerceivedSP2 = -2, PerceivedSP = -1, HybridizationUnknown = 0, SP = 1, SP2 = 2, SP3 = 3, SquarePlanar = 4, TrigonalBipyramidal = 5, Octahedral = 6 }; enum AtomicNumber : unsigned char { Hydrogen = 1, Carbon = 6, Nitrogen = 7, Oxygen = 8 }; /** * @class Atom atom.h * The atom class represents an atom in a molecule. * To use the appropriate atom implementation for a specific molecule * implementation, use the [MoleculeClass]::AtomType typedef. */ template class AtomTemplate { public: using MoleculeType = Molecule_T; /** Creates a new, invalid atom object. */ AtomTemplate(); /** * Creates a new atom object representing the atom at index @p i in molecule * @p m. */ AtomTemplate(MoleculeType* m, Index i); /** * @return True if @a this and @a other share the same index and molecule. */ bool operator==(const AtomTemplate& other) const; /** * @return True if @a this and @a other do not share the same index or * molecule. */ bool operator!=(const AtomTemplate& other) const; /** * Prefix increment operator. Increment this Atom's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ AtomTemplate& operator++(); /** * Postfix increment operator. Increment this Atom's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ AtomTemplate operator++(int); /** * Prefix decrement operator. Decrement this Atom's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ AtomTemplate& operator--(); /** * Postfix decrement operator. Decrement this Atom's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ AtomTemplate operator--(int); /** * @return True if the molecule is set and the index is less than the number * of atoms. */ bool isValid() const; /** * @return The molecule that contains this Atom. */ MoleculeType* molecule() const; /** * @return The index of this atom in molecule(). */ Index index() const; /** * The proton count of the atom. * @{ */ void setAtomicNumber(unsigned char num); unsigned char atomicNumber() const; /** @} */ /** * @return The mass of this atom */ Real mass() const; /** * The 2D position of this atom. * @note Not all molecule types support 2D positions. If the current * MoleculeType class does not, calling this method will result in a * compilation error. * @{ */ void setPosition2d(const Vector2& pos); Vector2 position2d() const; /** @} */ /** * The 3D position of this atom. * @{ */ void setPosition3d(const Vector3& pos); Vector3 position3d() const; /** @} */ /** * The hybridization / coordination of this atom * @{ */ void setHybridization(AtomHybridization hyb); AtomHybridization hybridization() const; /** @} */ /** * The formal charge of this atom * @{ */ void setFormalCharge(signed char charge); signed char formalCharge() const; /** @} */ /** * The isotope of this atom * @{ */ void setIsotope(unsigned short isotope); unsigned short isotope() const; /** @} */ /** * The color of this atom * @{ */ void setColor(Vector3ub color); Vector3ub color() const; /** @} */ /** * The layer of this atom * @{ */ void setLayer(size_t layer); size_t layer() const; /** @} */ /** * Is the atom selected. * {@ */ void setSelected(bool selected); bool selected() const; /** @} */ /** * The force on this atom. * {@ */ void setForceVector(const Vector3& force); Vector3 forceVector() const; void setLabel(const std::string& label); std::string label() const; /** @} */ private: MoleculeType* m_molecule; Index m_index; }; template AtomTemplate::AtomTemplate() : m_molecule(nullptr), m_index(MaxIndex) { } template AtomTemplate::AtomTemplate(MoleculeType* m, Index i) : m_molecule(m), m_index(i) { } template bool AtomTemplate::operator==( const AtomTemplate& other) const { return m_molecule == other.m_molecule && m_index == other.m_index; } template bool AtomTemplate::operator!=( const AtomTemplate& other) const { return m_molecule != other.m_molecule || m_index != other.m_index; } template AtomTemplate& AtomTemplate::operator++() { ++m_index; return *this; } template AtomTemplate AtomTemplate::operator++(int) { AtomTemplate result(m_molecule, m_index++); return result; } template AtomTemplate& AtomTemplate::operator--() { --m_index; return *this; } template AtomTemplate AtomTemplate::operator--(int) { AtomTemplate result(m_molecule, m_index--); return result; } template bool AtomTemplate::isValid() const { return m_molecule && m_index < m_molecule->atomCount(); } template typename AtomTemplate::MoleculeType* AtomTemplate::molecule() const { return m_molecule; } template Index AtomTemplate::index() const { return m_index; } template void AtomTemplate::setAtomicNumber(unsigned char num) { m_molecule->setAtomicNumber(m_index, num); } template unsigned char AtomTemplate::atomicNumber() const { return m_molecule->atomicNumber(m_index); } template Real AtomTemplate::mass() const { // TODO: handle isotopes return Elements::mass(atomicNumber()); } template void AtomTemplate::setPosition2d(const Vector2& pos) { m_molecule->setAtomPosition2d(m_index, pos); } template Vector2 AtomTemplate::position2d() const { return m_molecule->atomPositions2d().size() > 0 ? m_molecule->atomPositions2d()[m_index] : Vector2::Zero(); } template void AtomTemplate::setPosition3d(const Vector3& pos) { m_molecule->setAtomPosition3d(m_index, pos); } template Vector3 AtomTemplate::position3d() const { return m_molecule->atomPositions3d().size() > 0 ? m_molecule->atomPositions3d()[m_index] : Vector3::Zero(); } template void AtomTemplate::setHybridization(AtomHybridization hyb) { m_molecule->setHybridization(m_index, hyb); } template AtomHybridization AtomTemplate::hybridization() const { return m_molecule->hybridization(m_index); } template void AtomTemplate::setFormalCharge(signed char charge) { m_molecule->setFormalCharge(m_index, charge); } template signed char AtomTemplate::formalCharge() const { return m_molecule->formalCharge(m_index); } template void AtomTemplate::setIsotope(unsigned short isotope) { m_molecule->setIsotope(m_index, isotope); } template unsigned short AtomTemplate::isotope() const { return m_molecule->isotope(m_index); } template void AtomTemplate::setColor(Vector3ub color) { m_molecule->setColor(m_index, std::move(color)); } template Vector3ub AtomTemplate::color() const { return m_molecule->color(m_index); } template void AtomTemplate::setLayer(size_t layer) { m_molecule->setLayer(m_index, layer); } template size_t AtomTemplate::layer() const { return m_molecule->layer(m_index); } template void AtomTemplate::setSelected(bool selected) { m_molecule->setAtomSelected(m_index, selected); } template bool AtomTemplate::selected() const { return m_molecule->atomSelected(m_index); } template void AtomTemplate::setForceVector(const Vector3& force) { m_molecule->setForceVector(m_index, force); } template Vector3 AtomTemplate::forceVector() const { return m_molecule->forceVectors().size() > 0 ? m_molecule->forceVectors()[m_index] : Vector3::Zero(); } template void AtomTemplate::setLabel(const std::string& label) { m_molecule->setAtomLabel(m_index, label); } template std::string AtomTemplate::label() const { return m_molecule->atomLabel(m_index); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ATOM_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/atomtyper-inline.h000066400000000000000000000035771516317240700257110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ATOMTYPER_INLINE_H #define AVOGADRO_CORE_ATOMTYPER_INLINE_H #include "atomtyper.h" #include "atom.h" #include "molecule.h" namespace Avogadro::Core { template AtomTyper::AtomTyper(const Molecule* mol) : m_molecule(mol) { } template AtomTyper::~AtomTyper() { } template void AtomTyper::setMolecule(const Molecule* mol) { if (m_molecule != mol) { m_molecule = mol; reset(); } } template void AtomTyper::run() { initialize(); Index numAtoms = m_molecule ? m_molecule->atomCount() : 0; for (Index atomId = 0; atomId < numAtoms; ++atomId) { Atom atom = m_molecule->atom(atomId); m_types.push_back(type(atom)); } } template OutputType AtomTyper::atomType(const Atom& atom) { OutputType result{}; if (atom.isValid() && atom.molecule() == m_molecule) { // Return the calculated value if we've already run the typer. if (atom.index() < m_types.size()) { result = m_types[atom.index()]; } else { initialize(); result = type(atom); } } return result; } template Array AtomTyper::types() const { return m_types; } template void AtomTyper::reset() { m_types.clear(); } template void AtomTyper::initialize() { m_types.reserve(m_molecule ? m_molecule->atomCount() : 0); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ATOMTYPER_INLINE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/atomtyper.h000066400000000000000000000045301516317240700244230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ATOMTYPER_H #define AVOGADRO_CORE_ATOMTYPER_H #include namespace Avogadro::Core { class Atom; class Molecule; /** * @class AtomTyper atomtyper.h * @brief The AtomTyper class provides a base interface for generating a list of * type identifiers describing the atoms in a molecule. */ template class AtomTyper { public: using ValueType = OutputType; explicit AtomTyper(const Molecule* mol = nullptr); virtual ~AtomTyper(); /** * @param mol The molecule with atoms to type. */ void setMolecule(const Molecule* mol); /** * Iterate through the molecule and generate type descriptions for each atom. * The results can be obtained by calling types(). */ virtual void run(); /** * Perform a type lookup on the specified atom. If run() has been called * previously, a cached result is returned. * @return The type of @a atom. */ virtual OutputType atomType(const Atom& atom); /** * @return An Array of OutputType objects. There will be one object for each * atom of the input Molecule, and they are ordered by the corresponding * atom's index. */ Array types() const; /** * Reset the typer's internal state. This is called when the molecule is * changed. The base implementation clears the m_types Array. */ virtual void reset(); protected: /** * Perform any setup needed that needs to be done prior to calling type(). The * base implementation of this function reserves enough room in the m_types * Array for the current Molecule. */ virtual void initialize(); /** * Determines the type of the atom. * @param atom The atom to type. * @return The type of @a atom. */ virtual OutputType type(const Atom& atom) = 0; /** The molecule on which to operate. */ const Molecule* m_molecule; /** The array of types to be populated. */ Array m_types; }; } // namespace Avogadro::Core #include #endif // AVOGADRO_CORE_ATOMTYPER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/atomutilities.cpp000066400000000000000000000163271516317240700256350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "atomutilities.h" #include #include constexpr double M_TETRAHED = 109.47122063449069389; namespace Avogadro::Core { using NeighborListType = Array; inline unsigned int countExistingBonds(const NeighborListType& bonds) { unsigned int result(0); for (auto bond : bonds) { result += static_cast(bond.order()); } return result; } AtomHybridization AtomUtilities::perceiveHybridization(const Atom& atom) { const NeighborListType bonds(atom.molecule()->bonds(atom)); const unsigned int numberOfBonds(countExistingBonds(bonds)); // bond order sum AtomHybridization hybridization = SP3; // default to sp3 // TODO: Handle hypervalent species, SO3, SO4, lone pairs, etc. if (numberOfBonds > 4) { // hybridization = numberOfBonds; // e.g., octahedral, trig. bipyr., // etc. } else { // Count multiple bonds unsigned int numTripleBonds = 0; unsigned int numDoubleBonds = 0; for (auto bond : bonds) { if (bond.order() == 2) numDoubleBonds++; else if (bond.order() == 3) numTripleBonds++; } if (numTripleBonds > 0 || numDoubleBonds > 1) hybridization = SP; // sp else if (numDoubleBonds > 0) hybridization = SP2; // sp2 // special case for nitrogen in an amide if (atom.atomicNumber() == 7 && hybridization == SP3) { // look through the neighbors for a C=O for (auto bond : bonds) { Atom a1 = bond.getOtherAtom(atom); if (a1.atomicNumber() == 6 && bond.order() == 1) { const NeighborListType nbrBonds(atom.molecule()->bonds(a1)); for (auto nbrBond : nbrBonds) { Atom a2 = nbrBond.getOtherAtom(a1); if (a2.index() == atom.index()) continue; // we want a *new* atom, not the nitrogen if (a2.atomicNumber() == 8 && nbrBond.order() == 2) { hybridization = SP2; break; } } } } } } return hybridization; } // Generate bond geometries // First, the default fallback (random vectors) // Also applies when you have a linear geometry and just need one new vector // (it doesn't matter where it goes). Vector3 AtomUtilities::generateNewBondVector( const Atom& atom, const std::vector& allVectors, AtomHybridization hybridization) { Vector3 newPos; bool success = false; int currentValence = static_cast(allVectors.size()); // No bonded atoms, just pick a random vector if (currentValence == 0) { newPos = Vector3::Random().normalized(); return newPos; } else if (currentValence == 1) { // One bonded atom const Vector3& bond1 = allVectors[0]; // Check what's attached to our neighbor -- we want to set trans to the // neighbor Vector3 bond2(0.0, 0.0, 0.0); const NeighborListType bonds(atom.molecule()->bonds(atom)); for (auto bond : bonds) { Atom a1 = bond.getOtherAtom(atom); const NeighborListType nbrBonds(atom.molecule()->bonds(a1)); for (auto nbrBond : nbrBonds) { Atom a2 = nbrBond.getOtherAtom(a1); if (a2.index() == atom.index()) continue; // we want a *new* atom Vector3 delta = a2.position3d() - a1.position3d(); if (!delta.isZero(1e-5)) bond2 = delta.normalized(); // Check for carboxylate (CO2) if ((atom.atomicNumber() == 8) // atom for H is O && (a1.atomicNumber() == 6) // central atom is C && (nbrBond.order() == 2) && (a2.atomicNumber() == 8)) break; // make sure the H will be trans to the C=O } } Vector3 v1, v2; v1 = bond1.cross(bond2); if (bond2.norm() < 1.0e-5 || v1.norm() < 1.0e-5) { // std::cout << " creating a random paired atom " << std::endl; v2 = Vector3::Random().normalized(); double angle = fabs(acos(bond1.dot(v2))); while (angle < 45.0 * DEG_TO_RAD || angle > 135.0 * DEG_TO_RAD) { v2 = Vector3::Random().normalized(); angle = fabs(acos(bond1.dot(v2))); // std::cout << "angle = " << angle*RAD_TO_DEG << std::endl; } v1 = bond1.cross(v2); // so find a perpendicular, given the random vector v2 = bond1.cross(v1); } else { // std::cout << " found a neighbor for trans " << std::endl; v1 = bond1.cross(bond2); v2 = -1.0 * bond1.cross(v1); } v2.normalize(); switch (hybridization) { case SP: case SquarePlanar: case TrigonalBipyramidal: newPos = bond1; // 180 degrees away from the current neighbor break; case SP2: // sp2 newPos = bond1 - v2 * tan(DEG_TO_RAD * 120.0); break; case Octahedral: // octahedral newPos = bond1 - v2 * tan(DEG_TO_RAD * 90.0); break; case SP3: default: newPos = (bond1 - v2 * tan(DEG_TO_RAD * M_TETRAHED)); break; } // std::cout << " one bond " << newPos.normalized() << std::endl; return -1.0 * newPos.normalized(); } // end one bond else if (currentValence == 2) { const Vector3& bond1 = allVectors[0]; const Vector3& bond2 = allVectors[1]; Vector3 v1 = bond1 + bond2; v1.normalize(); switch (hybridization) { case SP: // shouldn't happen, but maybe with metal atoms? case SP2: newPos = v1; // point away from the two existing bonds break; case SP3: default: Vector3 v2 = bond1.cross(bond2); // find the perpendicular v2.normalize(); // newPos = bond1 - v2 * tan(DEG_TO_RAD * (M_TETRAHED)); newPos = v2 + v1 * (sqrt(2.0) / 2.0); } // std::cout << " two bonds " << newPos.normalized() << std::endl; return -1.0 * newPos.normalized(); } // end two bonds else if (currentValence == 3) { const Vector3& bond1 = allVectors[0]; const Vector3& bond2 = allVectors[1]; const Vector3& bond3 = allVectors[2]; // need to handle different hybridizations here // since the base of the tetrahedron should be symmetric // the sum of the three bond vectors should cancel the angular parts // and point in the new direction.. just need to normalize and rescale newPos = -1.0 * (bond1 + bond2 + bond3); // std::cout << " three bonds " << newPos.normalized() << std::endl; return newPos.normalized(); } // Fallback: // Try 10 times to generate a random vector that doesn't overlap with // an existing bond. If we can't, just give up and let the overlap occur. // Tolerance for two vectors being "too close" in radians (pi/8). const Avogadro::Real cosRadTol = cos(static_cast(M_PI) / static_cast(8.)); for (int attempt = 0; !success && attempt < 10; ++attempt) { newPos = Vector3::Random().normalized(); success = true; for (auto it = allVectors.begin(), itEnd = allVectors.end(); success && it != itEnd; ++it) { success = newPos.dot(*it) < cosRadTol; } } return newPos; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/atomutilities.h000066400000000000000000000022341516317240700252720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ATOMUTILITIES_H #define AVOGADRO_QTGUI_ATOMUTILITIES_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { class Atom; class Molecule; class AVOGADROCORE_EXPORT AtomUtilities { public: /** * Perceive the geometry / hybridization bonded to @a atom. * Ideally, the client should cache the hybridization number * by calling setHybridization() later */ static AtomHybridization perceiveHybridization(const Atom& atom); /** * Generate a new bond vector (unit length) */ static Vector3 generateNewBondVector( const Atom& atom, const std::vector& currentVectors, AtomHybridization hybridization); private: AtomUtilities(); // Not implemented ~AtomUtilities(); // Not implemented }; } // namespace Avogadro::Core #endif // AVOGADRO_QTGUI_ATOMUTILITIES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/avogadrocore.h000066400000000000000000000063031516317240700250520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_H #define AVOGADRO_CORE_H #include #include /** Prevent compiler error when using std::numeric_limits::max() */ #if defined(_MSC_VER) && defined(max) #undef max #endif /** * This macro marks a parameter as unused. Its purpose is to disable the * compiler from emitting unused parameter warnings. */ #define AVO_UNUSED(variable) (void)variable /** * This macro marks a class as not copyable. It should be used in the private * section of a class's declaration. */ #define AVO_DISABLE_COPY(Class) \ Class(const Class&); \ Class& operator=(const Class&); namespace Avogadro { /** Typedef for a real number. */ using Real = double; /** Typedef for indices and sizes. */ using Index = size_t; inline constexpr Index MaxIndex = std::numeric_limits::max(); /** Used to represent an invalid atomic number. */ constexpr unsigned char InvalidElement = 255; /** * Minimum value for atomic numbers that represent custom, non-elemental * particles. */ constexpr unsigned char CustomElementMin = 128; /** * Maximum value for atomic numbers that represent custom, non-elemental * particles. */ constexpr unsigned char CustomElementMax = 254; /** * Count of atomic number values that are used to represent custom, * non-elemental particles. */ inline constexpr unsigned char CustomElementCount = CustomElementMax - CustomElementMin + 1; namespace Core { /** * @return True if @a atomicNumber denotes a custom element type. */ constexpr bool isCustomElement(unsigned char atomicNumber) { return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; } } // namespace Core /** Unit conversion factors. @{ */ constexpr double PI_D = 3.141592653589793238462643; constexpr float PI_F = static_cast(PI_D); constexpr Real PI = static_cast(PI_D); constexpr double DEG_TO_RAD_D = PI_D / 180.0; constexpr float DEG_TO_RAD_F = static_cast(DEG_TO_RAD_D); constexpr Real DEG_TO_RAD = static_cast(DEG_TO_RAD_D); constexpr double RAD_TO_DEG_D = 180.0 / PI_D; constexpr float RAD_TO_DEG_F = static_cast(RAD_TO_DEG_D); constexpr Real RAD_TO_DEG = static_cast(RAD_TO_DEG_D); // from NIST constexpr double BOHR_TO_ANGSTROM_D = 0.529177210544; constexpr float BOHR_TO_ANGSTROM_F = static_cast(BOHR_TO_ANGSTROM_D); constexpr Real BOHR_TO_ANGSTROM = static_cast(BOHR_TO_ANGSTROM_D); constexpr double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D; constexpr float ANGSTROM_TO_BOHR_F = static_cast(ANGSTROM_TO_BOHR_D); constexpr Real ANGSTROM_TO_BOHR = static_cast(ANGSTROM_TO_BOHR_D); constexpr double HARTREE_TO_EV_D = 27.211386245981; constexpr float HARTREE_TO_EV_F = static_cast(HARTREE_TO_EV_D); constexpr Real HARTREE_TO_EV = static_cast(HARTREE_TO_EV_D); /** @} */ } // namespace Avogadro #endif // AVOGADRO_CORE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/avospglib.cpp000066400000000000000000000145211516317240700247210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "avospglib.h" #include "array.h" #include "matrix.h" #include "molecule.h" #include "unitcell.h" #include "vector.h" #include #include #include extern "C" { #include "spglib.h" } namespace Avogadro::Core { unsigned short AvoSpglib::getHallNumber(Molecule& mol, double cartTol) { if (!mol.unitCell()) return 0; const UnitCell* uc = mol.unitCell(); Matrix3 cellMat = uc->cellMatrix(); double lattice[3][3]; // Spglib expects column vectors for (Index i = 0; i < 3; ++i) { for (Index j = 0; j < 3; ++j) { lattice[i][j] = cellMat(i, j); } } Index numAtoms = mol.atomCount(); const Array& atomicNums = mol.atomicNumbers(); const Array& pos = mol.atomPositions3d(); // Use vectors to filter out translational duplicates std::vector> positionsVec; std::vector typesVec; positionsVec.reserve(numAtoms); typesVec.reserve(numAtoms); // Positions need to be in fractional coordinates for (Index i = 0; i < numAtoms; ++i) { Vector3 fracCoords = uc->toFractional(pos[i]); // Skip atoms with any fractional coordinate ~1.0 // (translational duplicates of other atoms ~0.0 if (std::abs(fracCoords[0] - 1.0) < 1e-8 || std::abs(fracCoords[1] - 1.0) < 1e-8 || std::abs(fracCoords[2] - 1.0) < 1e-8) continue; positionsVec.push_back({ fracCoords[0], fracCoords[1], fracCoords[2] }); typesVec.push_back(atomicNums[i]); } Index filteredNumAtoms = positionsVec.size(); if (filteredNumAtoms == 0) { std::cerr << "No valid atoms found for spacegroup determination.\n"; return 0; } // Convert to C-style arrays for spglib auto* positions = new double[filteredNumAtoms][3]; int* types = new int[filteredNumAtoms]; for (Index i = 0; i < filteredNumAtoms; ++i) { positions[i][0] = positionsVec[i][0]; positions[i][1] = positionsVec[i][1]; positions[i][2] = positionsVec[i][2]; types[i] = typesVec[i]; } SpglibDataset* data = spg_get_dataset(lattice, positions, types, filteredNumAtoms, cartTol); if (!data) { std::cerr << "Cannot determine spacegroup.\n"; delete[] positions; delete[] types; return 0; } unsigned short hallNumber = data->hall_number; // Cleanup time spg_free_dataset(data); delete[] positions; delete[] types; mol.setHallNumber(hallNumber); return hallNumber; } bool AvoSpglib::reduceToPrimitive(Molecule& mol, double cartTol) { return standardizeCell(mol, cartTol, true, false); } bool AvoSpglib::conventionalizeCell(Molecule& mol, double cartTol) { return standardizeCell(mol, cartTol, false, true); } bool AvoSpglib::symmetrize(Molecule& mol, double cartTol) { return standardizeCell(mol, cartTol, true, true); } bool AvoSpglib::standardizeCell(Molecule& mol, double cartTol, bool toPrimitive, bool idealize) { if (!mol.unitCell()) return false; const UnitCell* uc = mol.unitCell(); Matrix3 cellMat = uc->cellMatrix(); double lattice[3][3]; // Spglib expects column vectors for (Index i = 0; i < 3; ++i) { for (Index j = 0; j < 3; ++j) { lattice[i][j] = cellMat(i, j); } } Index numAtoms = mol.atomCount(); const Array& atomicNums = mol.atomicNumbers(); const Array& pos = mol.atomPositions3d(); // Use vectors to filter out translational duplicates // (atoms at fracCoord ~1.0) std::vector> positionsVec; std::vector typesVec; positionsVec.reserve(numAtoms); typesVec.reserve(numAtoms); // Positions need to be in fractional coordinates for (Index i = 0; i < numAtoms; ++i) { Vector3 fracCoords = uc->toFractional(pos[i]); // Skip atoms with any fractional coordinate ~1.0 // (translational duplicates of other atoms ~0.0 if (std::abs(fracCoords[0] - 1.0) < 1e-8 || std::abs(fracCoords[1] - 1.0) < 1e-8 || std::abs(fracCoords[2] - 1.0) < 1e-8) continue; positionsVec.push_back({ fracCoords[0], fracCoords[1], fracCoords[2] }); typesVec.push_back(atomicNums[i]); } Index filteredNumAtoms = positionsVec.size(); if (filteredNumAtoms == 0) return false; // spg_standardize_cell() can cause the number of atoms to increase by // as much as 4x if toPrimitive is false. // So, we must make these arrays at least 4x the number of atoms. // If toPrimitive is true, then we will just use the number of atoms. // See http://atztogo.github.io/spglib/api.html#spg-standardize-cell int numAtomsMultiplier = toPrimitive ? 1 : 4; auto* positions = new double[filteredNumAtoms * numAtomsMultiplier][3]; int* types = new int[filteredNumAtoms * numAtomsMultiplier]; // Copy filtered data to C-style arrays for spglib for (Index i = 0; i < filteredNumAtoms; ++i) { positions[i][0] = positionsVec[i][0]; positions[i][1] = positionsVec[i][1]; positions[i][2] = positionsVec[i][2]; types[i] = typesVec[i]; } // Run the spglib algorithm Index newNumAtoms = spg_standardize_cell(lattice, positions, types, filteredNumAtoms, toPrimitive, !idealize, cartTol); // If 0 is returned, the algorithm failed. if (newNumAtoms == 0) { delete[] positions; delete[] types; return false; } // Let's create a new molecule with the information Molecule newMol; // First, we will make the unit cell Matrix3 newCellMat; for (Index i = 0; i < 3; ++i) { for (Index j = 0; j < 3; ++j) { newCellMat(i, j) = lattice[i][j]; } } auto* newCell = new UnitCell(newCellMat); newMol.setUnitCell(newCell); // Next, add in the atoms for (Index i = 0; i < newNumAtoms; ++i) { Atom newAtom = newMol.addAtom(types[i]); Vector3 newAtomPos(positions[i][0], positions[i][1], positions[i][2]); // We must convert it back to cartesian before adding it newAtom.setPosition3d(newCell->toCartesian(newAtomPos)); } delete[] positions; delete[] types; // Set the new molecule mol = newMol; // Set the space group in the molecule getHallNumber(mol, cartTol); return true; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/avospglib.h000066400000000000000000000062061516317240700243670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_AVO_SPGLIB_H #define AVOGADRO_CORE_AVO_SPGLIB_H #include "avogadrocoreexport.h" #include "molecule.h" namespace Avogadro::Core { /** * @class AvoSpglib avospglib.h * @brief The AvoSpglib class provides an interface between Avogadro and Spglib. */ class AVOGADROCORE_EXPORT AvoSpglib { public: AvoSpglib(); ~AvoSpglib(); /** * Use spglib to find the Hall number for a crystal. If the unit cell does not * exist or if the algorithm fails, 0 will be returned. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be handled. * @param cartTol The cartesian tolerance for spglib. * @return The Hall number for the crystal. */ static unsigned short getHallNumber(Molecule& mol, double cartTol = 1e-5); /** * Use spglib to reduce the crystal to a primitive cell. Unless the molecule * is missing its unit cell, it will be edited by spglib. Positions are * not idealized. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be reduced to its primitive cell. * @param cartTol The cartesian tolerance for spglib. * @return False if the molecule has no unit cell or if the spglib algorithm failed. True otherwise. */ static bool reduceToPrimitive(Molecule& mol, double cartTol = 1e-5); /** * Use spglib to refine the crystal to its conventional cell. Unless the * molecule is missing its unit cell, it will be edited by spglib. Positions * are idealized. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be conventionalized. * @param cartTol The cartesian tolerance for spglib. * @return False if the molecule has no unit cell or if the * spglib algorithm failed. True otherwise. */ static bool conventionalizeCell(Molecule& mol, double cartTol = 1e-5); /** * Use spglib to symmetrize the crystal. Unless the molecule is missing * its unit cell, it will be edited by spglib. It will be reduced * to its primitive form, and positions will be idealized. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be conventionalized. * @param cartTol The cartesian tolerance for spglib. * @return False if the molecule has no unit cell or if the * spglib algorithm failed. True otherwise. */ static bool symmetrize(Molecule& mol, double cartTol = 1e-5); private: // Called by reduceToPrimitive(), conventionalizeCell(), and symmetrize() // Calls spg_standardize_cell() static bool standardizeCell(Molecule& mol, double cartTol, bool toPrimitive, bool idealize); }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_AVO_SPGLIB_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/basisset.h000066400000000000000000000202161516317240700242130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_BASISSET_H #define AVOGADRO_CORE_BASISSET_H #include "avogadrocoreexport.h" #include "core/variant.h" #include #include namespace Avogadro::Core { class Molecule; /** * @class BasisSet basisset.h * @brief BasisSet contains basis set data. * @author Marcus D. Hanwell * * This is the base class for basis sets, and has two derived classes - * GaussianSet and SlaterSet. It must be populated with data, with other classes * capable of performing calculations on the data or writing it out. */ class AVOGADROCORE_EXPORT BasisSet { public: /** * Constructor. */ BasisSet() = default; /** * Destructor. */ virtual ~BasisSet() = default; /** * Clone. */ virtual BasisSet* clone() const = 0; /** * @brief The ElectronType enum describes the type of electrons being set or * retrieved. If Paired, then Alpha and Beta cannot be set, if Alpha or Beta * then both must be set. */ enum ElectronType { Paired, Alpha, Beta }; /** * Set the number of electrons in the BasisSet. * @param n The number of electrons in the BasisSet. * @param type The type of the electrons (Alpha, Beta, or Paired). */ virtual void setElectronCount(unsigned int n, ElectronType type = Paired); /** * @param type The type of the electrons (Alpha, Beta, or Paired). * @return The number of electrons in the molecule. */ unsigned int electronCount(ElectronType type = Paired) const; /** * Set the molecule for the basis set. */ void setMolecule(Molecule* molecule_) { m_molecule = molecule_; } /** * Get the molecule this basis set belongs to. */ Molecule* molecule() { return m_molecule; } const Molecule* molecule() const { return m_molecule; } /** * Set the name of the basis set. */ void setName(const std::string& name) { m_name = name; } /** * Get the name of the basis set. */ std::string name() const { return m_name; } /** * Set the name of the basis set. */ void setTheoryName(const std::string& name) { m_theoryName = name; } /** * Get the name of the basis set. */ std::string theoryName() const { return m_theoryName; } /** * @return The number of molecular orbitals in the BasisSet. */ virtual unsigned int molecularOrbitalCount( ElectronType type = Paired) const = 0; /** * @return The molecular orbital number corresponding to the HOMO orbital. */ unsigned int homo(ElectronType type = Paired) const { return lumo(type) - 1; } /** * @return The molecular orbital number corresponding to the LUMO orbital. */ unsigned int lumo(ElectronType type = Paired) const; /** * @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */ virtual bool isValid() = 0; /** * @return the orbital symmetry labels (if they exist) for the MOs */ std::vector symmetryLabels(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_symmetryLabels[0]; else return m_symmetryLabels[1]; } /** * Set the orbital symmetry labels (a1, t2g, etc.) for the molecular * orbitals */ void setSymmetryLabels(const std::vector& labels, ElectronType type = Paired); /** * @brief Set the molecular orbital energies, expected in Hartrees. * @param energies The vector containing energies for the MOs of type * @param type The type of the electrons being set. */ void setMolecularOrbitalEnergy(const std::vector& energies, ElectronType type = Paired); /** * @brief Set the molecular orbital occupancies. * @param occ The occupancies for the MOs of type. * @param type The type of the electrons being set. */ void setMolecularOrbitalOccupancy(const std::vector& occ, ElectronType type = Paired); std::vector& moEnergy(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moEnergy[0]; else return m_moEnergy[1]; } std::vector moEnergy(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moEnergy[0]; else return m_moEnergy[1]; } std::vector& moOccupancy(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moOccupancy[0]; else return m_moOccupancy[1]; } std::vector moOccupancy(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moOccupancy[0]; else return m_moOccupancy[1]; } protected: /** * Total number of electrons, 0 is alpha electrons and 1 is beta electrons. * For closed shell calculations alpha is doubly occupied and there are no * beta electrons. */ std::array m_electrons = {}; /** * The Molecule holds the atoms (and possibly bonds) read in from the output * file. Most basis sets have orbitals around these atoms, but this is not * necessarily the case. */ Molecule* m_molecule = nullptr; /** * The name of the basis set, this is usually a string identifier referencing * a standard basis set when only one is used. */ std::string m_name; /** * The name of the theory used for the calculation. */ std::string m_theoryName; /** * The orbital symmetry labels (if they exist) for the MOs */ std::vector m_symmetryLabels[2]; /** * @brief This block stores energies for the molecular orbitals (same * convention as the molecular orbital coefficients). */ std::vector m_moEnergy[2]; /** * @brief The occupancy of the molecular orbitals. */ std::vector m_moOccupancy[2]; }; inline unsigned int BasisSet::lumo(ElectronType type) const { if (type == Beta) { // check if we have occupancy data if (m_moOccupancy[1].size() > 0) { for (unsigned int i = 0; i < m_moOccupancy[1].size(); ++i) { if (m_moOccupancy[1][i] == 0) return i; } } } else { // alpha or paired // check if we have occupancy data - more accurate if (m_moOccupancy[0].size() > 0) { for (unsigned int i = 0; i < m_moOccupancy[0].size(); ++i) { if (m_moOccupancy[0][i] == 0) return i; } } } // fall back to electron count // (supports odd number of electrons)) if (type == Beta) { return m_electrons[0] / 2 + 1; } else { return m_electrons[0] / 2 + (m_electrons[0] % 2) + 1; } } inline void BasisSet::setElectronCount(unsigned int n, ElectronType type) { switch (type) { case Paired: m_electrons[0] = n; m_electrons[1] = 0; break; case Alpha: m_electrons[0] = n; break; case Beta: m_electrons[1] = n; break; default: // Shouldn't hit this condition. ; } } inline unsigned int BasisSet::electronCount(ElectronType type) const { switch (type) { case Paired: case Alpha: return m_electrons[0]; case Beta: return m_electrons[1]; default: // Shouldn't hit this condition. return 0; } } inline void BasisSet::setSymmetryLabels(const std::vector& labels, ElectronType type) { if (type == Paired || type == Alpha) m_symmetryLabels[0] = labels; else m_symmetryLabels[1] = labels; } inline void BasisSet::setMolecularOrbitalEnergy( const std::vector& energies, ElectronType type) { if (type == Beta) m_moEnergy[1] = energies; else m_moEnergy[0] = energies; } inline void BasisSet::setMolecularOrbitalOccupancy( const std::vector& occ, ElectronType type) { if (type == Beta) m_moOccupancy[1] = occ; else m_moOccupancy[0] = occ; } } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/bond.h000066400000000000000000000141541516317240700233240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_BOND_H #define AVOGADRO_CORE_BOND_H #include "avogadrocore.h" #include "atom.h" namespace Avogadro::Core { /** * @class Bond bond.h * The Bond class represents a bond in a molecule. * To use the appropriate bond implementation for a specific molecule * implementation, use the [MoleculeClass]::BondType typedef. */ template class BondTemplate { public: using MoleculeType = Molecule_T; using AtomType = typename Molecule_T::AtomType; /** Creates a new, invalid bond object. */ BondTemplate() = default; /** * Creates a bond object representing a bond at index @p i in molecule @p m. */ BondTemplate(MoleculeType* m, Index i); /** * @return True if @a this and @a other share the same index and molecule. */ bool operator==(const BondTemplate& other) const; /** * @return True if @a this and @a other do not share the same index or * molecule. */ bool operator!=(const BondTemplate& other) const; /** * Prefix increment operator. Increment this Bond's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ BondTemplate& operator++(); /** * Postfix increment operator. Increment this Bond's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ BondTemplate operator++(int); /** * Prefix decrement operator. Decrement this Bond's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ BondTemplate& operator--(); /** * Postfix decrement operator. Decrement this Bond's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ BondTemplate operator--(int); /** * @return True if the molecule is set and the index is less than the number * of bonds. */ bool isValid() const; /** * @return The molecule that contains this Bond. */ MoleculeType* molecule() const; /** * @return The index of this bond in molecule(). */ Index index() const; /** * An atom in the bond, such that atom1().index() < atom2.index(). * @{ */ AtomType atom1() const; AtomType atom2() const; /** @} */ /** * @return The atom in the bond such that returned.index() != index. */ AtomType getOtherAtom(Index index) const; /** * @return The atom in the bond such that returned.index() != atom.index(). */ AtomType getOtherAtom(AtomType atom) const; /** * The bond's order (single = 1, double = 2, etc.) * @{ */ void setOrder(unsigned char o); unsigned char order() const; /** @} */ /** * The length of the bond or 0.0 if the bond is invalid. */ Real length() const; /** * A label for the bond (if any) */ std::string label() const; private: MoleculeType* m_molecule = nullptr; Index m_index = MaxIndex; }; template BondTemplate::BondTemplate(MoleculeType* m, Index i) : m_molecule(m), m_index(i) { } template bool BondTemplate::operator==( const BondTemplate& other) const { return m_molecule == other.m_molecule && m_index == other.m_index; } template bool BondTemplate::operator!=( const BondTemplate& other) const { return m_molecule != other.m_molecule || m_index != other.m_index; } template BondTemplate& BondTemplate::operator++() { ++m_index; return *this; } template BondTemplate BondTemplate::operator++(int) { BondTemplate result(m_molecule, m_index++); return result; } template BondTemplate& BondTemplate::operator--() { --m_index; return *this; } template BondTemplate BondTemplate::operator--(int) { BondTemplate result(m_molecule, m_index--); return result; } template bool BondTemplate::isValid() const { return m_molecule && m_index < m_molecule->bondCount(); } template typename BondTemplate::MoleculeType* BondTemplate::molecule() const { return m_molecule; } template Index BondTemplate::index() const { return m_index; } template typename BondTemplate::AtomType BondTemplate::atom1() const { return AtomType(m_molecule, m_molecule->bondPairs()[m_index].first); } template typename BondTemplate::AtomType BondTemplate::atom2() const { return AtomType(m_molecule, m_molecule->bondPairs()[m_index].second); } template typename BondTemplate::AtomType BondTemplate::getOtherAtom(Index index) const { if (atom1().index() == index) return atom2(); else return atom1(); } template typename BondTemplate::AtomType BondTemplate::getOtherAtom( BondTemplate::AtomType atom) const { return getOtherAtom(atom.index()); } template void BondTemplate::setOrder(unsigned char o) { m_molecule->setBondOrder(m_index, o); } template unsigned char BondTemplate::order() const { return m_molecule->bondOrders()[m_index]; } template Real BondTemplate::length() const { if (!isValid()) return 0.0; return (atom1().position3d() - atom2().position3d()).norm(); } template std::string BondTemplate::label() const { return m_molecule->bondLabel(m_index); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_BOND_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/color3f.h000066400000000000000000000071431516317240700237510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_COLOR3F_H #define AVOGADRO_CORE_COLOR3F_H #include namespace Avogadro::Core { namespace detail { /** Used to represent Maximum RGB value as a float. */ constexpr float k_MaxRGBColorValue = 255.0f; } // namespace detail /** * @class Color3f color3f.h * @brief Representation of an RGB color using three floats. * @author Marcus D. Hanwell * * This class represents a color as three floats ranging from 0.0 to 1.0 * specifying the intensity of the red, green and blue components of the * color. It is stored in memory as float[3], and so vectors containing this * type may be passed directly to OpenGL and other functions as C arrays. * * Several convenience functions are provided, the class is written with an * emphasis on efficiency and memory layout. */ class Color3f { public: /** * Constructor, results in a black Color3f object unless the RGB values are * set. * @param red Intensity (from 0.0 to 1.0) of the red component of the color. * @param green Intensity (from 0.0 to 1.0) of the green component of the * color. * @param blue Intensity (from 0.0 to 1.0) of the blue component of the color. */ Color3f(float red = 0.0, float green = 0.0, float blue = 0.0); /** * Constructor where the color is constructed from integer values. * @param red Intensity (from 0 to 255) of the red component of the color. * @param green Intensity (from 0 to 255) of the green component of the color. * @param blue Intensity (from 0 to 255) of the blue component of the color. */ Color3f(int red, int green, int blue); /** * Sets the color objects components. * @param red Intensity (from 0.0 to 1.0) of the red component of the color. * @param green Intensity (from 0.0 to 1.0) of the green component of the * color. * @param blue Intensity (from 0.0 to 1.0) of the blue component of the color. */ void set(float red, float green, float blue); /** * @return The intensity of the red component of the color (0.0 to 1.0). */ float red() const { return m_data[0]; } /** * @return The intensity of the green component of the color (0.0 to 1.0). */ float green() const { return m_data[1]; } /** * @return The intensity of the blue component of the color (0.0 to 1.0). */ float blue() const { return m_data[2]; } /** * @return Direct access to the underlying float array of size 3. */ float* data(); /** * This function is useful when calling OpenGL functions which expect a * float * array of size 3. * @return Direct access to the underlying float array of size 3. */ const float* data() const; protected: std::array m_data; }; inline Color3f::Color3f(float r, float g, float b) : m_data({ r, g, b }) {} // clang-format off inline Color3f::Color3f(int r, int g, int b) : m_data({static_cast(r) / detail::k_MaxRGBColorValue, static_cast(g) / detail::k_MaxRGBColorValue, static_cast(b) / detail::k_MaxRGBColorValue}) { } // clang-format on inline void Color3f::set(float r, float g, float b) { m_data[0] = r; m_data[1] = g; m_data[2] = b; } inline float* Color3f::data() { return m_data.data(); } inline const float* Color3f::data() const { return m_data.data(); } } // End namespace Avogadro::Core #endif // AVOGADRO_CORE_COLOR3F_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/constraint.h000066400000000000000000000100271516317240700245610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_CONSTRAINT_H #define AVOGADRO_CORE_CONSTRAINT_H #include "avogadrocoreexport.h" #include #include namespace Avogadro { namespace Core { /** * @class Constraint constraint.h * @brief Constraints for optimization / dynamics * @author Geoffrey R. Hutchison * * This class represents a distance, angle, or torsional constraint / restraint * during optimization or dynamics. More technically, these are implemented as * stiff harmonic oscillators restraining a particular atom set towards the * value. */ class AVOGADROCORE_EXPORT Constraint { public: enum Type { None = 0, DistanceConstraint, AngleConstraint, TorsionConstraint, OutOfPlaneConstraint, UnknownConstraint }; /** * Constructor, results in a zero distance constraint * @param a Atom index of the first atom of the constraint * @param b Atom index of the second atom of the constraint * @param c Atom index of the third atom (for angles or torsions) or MaxIndex * @param d Atom index of the fourth atom (for torsion constraints) or * MaxIndex * @param value The value of the constraint, either Angstrom for distance or * radians) */ Constraint(Index a, Index b, Index c = MaxIndex, Index d = MaxIndex, Real value = 0.0) : m_aIndex(a), m_bIndex(b), m_cIndex(c), m_dIndex(d), m_value(value) { } /** Set the constraint * @param a Atom index of the first atom of the constraint * @param b Atom index of the second atom of the constraint * @param c Atom index of the third atom (for angles or torsions) or MaxIndex * @param d Atom index of the fourth atom (for torsion constraints) or * MaxIndex * @param value The value of the constraint, either Angstrom for distance or * radians) */ void set(Index a, Index b, Index c = MaxIndex, Index d = MaxIndex, Real value = 0.0) { m_aIndex = a; m_bIndex = b; m_cIndex = c; m_dIndex = d; m_value = value; } /** * Set the constraint value (distance, angle, dihedral) * @param value The value of the constraint, either Angstrom for distance or * radians) */ void setValue(Real value) { m_value = value; } /** * @return the constraint value */ Real value() const { return m_value; } /** * @return the atoms in the constraint as a tuple */ std::tuple atoms() const { return std::make_tuple(m_aIndex, m_bIndex, m_cIndex, m_dIndex); } /** * @return the atom index from the constraint or MaxIndex */ Index aIndex() const { return m_aIndex; } Index bIndex() const { return m_bIndex; } Index cIndex() const { return m_cIndex; } Index dIndex() const { return m_dIndex; } Real k() const { return m_k; } void setK(Real k) { m_k = k; } /** * @return the type of constraint */ Constraint::Type type() const { if (m_type != None) return m_type; if (m_cIndex == MaxIndex && m_dIndex == MaxIndex) m_type = DistanceConstraint; else if (m_dIndex == MaxIndex) m_type = AngleConstraint; else if (m_dIndex != MaxIndex) m_type = TorsionConstraint; else m_type = UnknownConstraint; return m_type; } /** * Set the type of constraint * @param type The type of constraint */ void setType(Constraint::Type type) const { m_type = type; } protected: Index m_aIndex = MaxIndex; Index m_bIndex = MaxIndex; Index m_cIndex = MaxIndex; Index m_dIndex = MaxIndex; Real m_value = 0.0; Real m_k = 41840.0; // force constant, default in kJ/mol/Angstrom^2 mutable Constraint::Type m_type = None; // cached type, initialized to None }; } // End namespace Core } // End namespace Avogadro #endif // AVOGADRO_CORE_CONSTRAINT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/contrastcolor.h000066400000000000000000000023361516317240700252750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_CONTRASTCOLOR_H #define AVOGADRO_CORE_CONTRASTCOLOR_H #include #include namespace Avogadro::Core { inline Vector3ub contrastColor(const Vector3ub& rgb) { // If we're far 'enough' (+/-32) away from 128, just invert the component. // If we're close to 128, inverting the color will end up too close to the // input -- adjust the component before inverting. const unsigned char minVal = 32; const unsigned char maxVal = 223; Vector3ub result; for (size_t i = 0; i < 3; ++i) { unsigned char input = rgb[i]; if (input > 160 || input < 96) result[i] = static_cast(255 - input); else result[i] = static_cast(255 - (input / 4)); // Clamp to 32-->223 to prevent pure black/white result[i] = std::clamp(result[i], minVal, maxVal); } return result; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_CONTRASTCOLOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/coordinateblockgenerator.cpp000066400000000000000000000144711516317240700300100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinateblockgenerator.h" #include #include #include #include #include #include namespace Avogadro::Core { std::string CoordinateBlockGenerator::generateCoordinateBlock() { if (!m_molecule) return {}; // Reset stream. m_stream.str(""); m_stream.clear(); // Create/cache some iterators for the specification string. std::string::const_iterator it; const std::string::const_iterator begin = m_specification.begin(); const std::string::const_iterator end = m_specification.end(); // Check the spec to see if certain items are needed. bool needElementSymbol(false); bool needElementName(false); bool needPosition(false); bool needFractionalPosition(false); for (it = begin; it != end; ++it) { switch (*it) { case 'S': case 'L': needElementSymbol = true; break; case 'N': needElementName = true; break; case 'x': case 'y': case 'z': needPosition = true; break; case 'a': case 'b': case 'c': needFractionalPosition = true; break; } } // Variables for loops below const Index numAtoms = m_molecule->atomCount(); Atom atom; unsigned char atomicNumber; const char* symbol = "\0"; const char* name = "\0"; Vector3 pos3d = Vector3::Zero(); Vector3 fpos3d = Vector3::Zero(); const UnitCell* cell = needFractionalPosition ? molecule()->unitCell() : nullptr; // widths/precisions enum { atomicNumberPrecision = 0, atomicNumberWidth = 3, atomicLabelWidth = 8, // 3 element symbol + 5 index coordinatePrecision = 6, coordinateWidth = 11, elementNameWidth = 13, // Currently the longest element name elementSymbolWidth = 3, gamessAtomicNumberPrecision = 1, gamessAtomicNumberWidth = 5 }; const int indexWidth( static_cast(std::log10(static_cast(numAtoms))) + 1); // Use fixed number format. m_stream << std::fixed; // Count the number for each element std::vector elementCounts(Elements::elementCount(), 0); // Iterate through the atoms for (Index atomI = 0; atomI < numAtoms; ++atomI) { atom = m_molecule->atom(atomI); atomicNumber = atom.atomicNumber(); elementCounts[atomicNumber]++; if (needElementSymbol) symbol = Core::Elements::symbol(atomicNumber); if (needElementName) name = Core::Elements::name(atomicNumber); if (needPosition) pos3d = atom.position3d(); if (needFractionalPosition) fpos3d = cell ? cell->toFractional(atom.position3d()) : Vector3::Zero(); switch (m_distanceUnit) { case Bohr: pos3d *= ANGSTROM_TO_BOHR_F; break; default: case Angstrom: break; } for (it = begin; it != end; ++it) { switch (*it) { case '_': // Space character. If we are not at the end of the spec, a space will // be added by default after the switch clause. If we are at the end, // add a space before the newline that will be added. if (it + 1 == end) m_stream << std::setw(1) << " "; break; case '#': m_stream << std::left << std::setw(indexWidth) << static_cast(atomI + 1); break; case 'Z': m_stream << std::left << std::setw(atomicNumberWidth) << std::setprecision(atomicNumberPrecision) << static_cast(atomicNumber); break; case 'G': m_stream << std::right << std::setw(gamessAtomicNumberWidth) << std::setprecision(gamessAtomicNumberPrecision) << static_cast(atomicNumber); break; case 'S': m_stream << std::left << std::setw(elementSymbolWidth) << symbol; break; case 'L': m_stream << std::left << symbol << elementCounts[atomicNumber] << " "; break; case 'N': m_stream << std::left << std::setw(elementNameWidth) << name; break; case 'x': m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << pos3d.x(); break; case 'y': m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << pos3d.y(); break; case 'z': m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << pos3d.z(); break; case '0': m_stream << std::left << std::setw(1) << 0; break; case '1': m_stream << std::left << std::setw(1) << 1; break; case 'a': if (cell) { m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << fpos3d.x(); } else { m_stream << std::right << std::setw(coordinateWidth) << "N/A"; } break; case 'b': if (cell) { m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << fpos3d.y(); } else { m_stream << std::right << std::setw(coordinateWidth) << "N/A"; } break; case 'c': if (cell) { m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << fpos3d.z(); } else { m_stream << std::right << std::setw(coordinateWidth) << "N/A"; } break; } // end switch // Prepare for next value. Push a space into the output stream if we are // not at the end of the line, or a newline if we are. m_stream << std::setw(1) << (it + 1 != end ? ' ' : '\n'); } // end spec char } // end for atom return m_stream.str(); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/coordinateblockgenerator.h000066400000000000000000000066371516317240700274620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H #define AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { class Molecule; /** * @class CoordinateBlockGenerator coordinateblockgenerator.h * * @brief The CoordinateBlockGenerator class creates an aligned, formatted block * of atomic coordinates. * * See the setSpecification() documentation for details on specifying the block * format. */ class AVOGADROCORE_EXPORT CoordinateBlockGenerator { public: /** * Construct the default CoordinateBlockGenerator with an empty specification * and Angstrom distance units. */ CoordinateBlockGenerator() = default; /** * The molecule used as input. * @} */ void setMolecule(const Molecule* mol) { m_molecule = mol; } const Molecule* molecule() const { return m_molecule; } /** @} */ /** * The specification of the block format. * The characters in the specification string indicate the information needed * about each atom in the coordinate block. * - @c #: Atom index (one-based index) * - @c Z: Atomic number (e.g. "6" for carbon) * - @c L: Atomic label (e.g., "C1" for first carbon)") * - @c G: GAMESS-styled Atomic number (e.g. "6.0" for carbon) * - @c S: Element symbol (e.g. "C" for carbon) * - @c N: Element name (e.g. "Carbon") * - @c x: X cartesian coordinate * - @c y: Y cartesian coordinate * - @c z: Z cartesian coordinate * - @c a: 'a' lattice coordinate (unit cell required) * - @c b: 'b' lattice coordinate (unit cell required) * - @c c: 'c' lattice coordinate (unit cell required) * - @c 0: A literal "0". Useful for optimization flags. * - @c 1: A literal "1". Useful for optimization flags. * - @c _: A space character. Useful for alignment. * * For example, the specification string ~~~ __SZxyz110 ~~~ * will be replaced by a molecule-specific block of text similar to the * following: ~~~ C 6 1.126214 0.765886 0.000000 1 1 0 C 6 0.819345 -0.564955 0.000000 1 1 0 C 6 -0.598383 -0.795127 0.000000 1 1 0 C 6 -1.310706 0.370165 0.000000 1 1 0 S 16 -0.285330 1.757144 0.000000 1 1 0 H 1 2.130424 1.185837 0.000000 1 1 0 H 1 1.548377 -1.375303 0.000000 1 1 0 H 1 -1.033768 -1.794407 0.000000 1 1 0 H 1 -2.396173 0.450760 0.000000 1 1 0 ~~~ */ void setSpecification(const std::string& spec) { m_specification = spec; } std::string specification() const { return m_specification; } /** @} */ /** Distance unit used in the output. @{ */ enum DistanceUnit { Angstrom = 0, Bohr }; void setDistanceUnit(DistanceUnit unit) { m_distanceUnit = unit; } DistanceUnit distanceUnit() const { return m_distanceUnit; } /** @} */ /** * Generate and return the coordinate block. */ std::string generateCoordinateBlock(); private: const Molecule* m_molecule = nullptr; std::string m_specification; DistanceUnit m_distanceUnit = Angstrom; std::stringstream m_stream; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/coordinateset.h000066400000000000000000000057141516317240700252470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_COORDINATESET_H #define AVOGADRO_CORE_COORDINATESET_H #include "avogadrocore.h" #include #include namespace Avogadro::Core { /** * @class ArraySet coordinateset.h * @brief Base class for array type containers. * * This base class gives us the non-templated base class that stores all arrays * of data. You should use the base class as the container, and figure out its * type when using it. */ class ArraySet { public: ArraySet() : m_content(nullptr), m_data(nullptr) {} virtual ~ArraySet() { delete m_content; } /** @return true if the type of the array matches the input type. */ template bool isType(const T&) const { return m_content ? typeid(T) == m_content->type() : false; } /* template std::vector data() { if (m_data && isType(T)) return static_cast &>(*m_data); else return std::vector(); } */ protected: class PlaceHolder { public: virtual ~PlaceHolder() {} virtual const std::type_info& type() const = 0; virtual PlaceHolder* clone() const = 0; }; template class Holder : public PlaceHolder { public: Holder(const ValueType& value) : m_content(value) {} const std::type_info& type() const override { return typeid(ValueType); } PlaceHolder* clone() const override { return new Holder(m_content); } ValueType m_content; }; PlaceHolder* m_content; void* m_data; }; /** * @class CoordinateSet coordinateset.h * @brief Templated class for array type containers. * * This class gives us the derived templated class that stores arrays of data. * of data. This class should be used to store concrete arrays, and can be * cast to ArraySet when stored in generic containers. */ template class CoordinateSet : public ArraySet { public: CoordinateSet() { m_content = new Holder(T()); } ~CoordinateSet() override = default; // Properties void resize(Index _size) { m_coordinates.resize(_size); } Index size() const { return m_coordinates.size(); } std::vector& coordinates() { return m_coordinates; } const std::vector& coordinates() const { return m_coordinates; } // Inline operator methods. /** Returns the element at \index _index. */ T operator()(Index _index) const { return m_coordinates.at(_index); } T& operator[](Index _index) { return m_coordinates[_index]; } const T& operator[](Index _index) const { return m_coordinates[_index]; } private: std::vector m_coordinates; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_COORDINATESET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/crystaltools.cpp000066400000000000000000000517601516317240700255030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "crystaltools.h" #include "molecule.h" #include "unitcell.h" #include #include namespace Avogadro::Core { namespace { struct WrapAtomsToCellFunctor { const UnitCell& unitCell; WrapAtomsToCellFunctor(Molecule& molecule) : unitCell(*molecule.unitCell()) {} void operator()(Vector3& pos) { unitCell.wrapCartesian(pos, pos); } }; } // namespace bool CrystalTools::wrapAtomsToUnitCell(Molecule& molecule) { if (!molecule.unitCell()) return false; // remove any bonds first - otherwise they may wrap // across the unit cell strangely molecule.clearBonds(); std::for_each(molecule.atomPositions3d().begin(), molecule.atomPositions3d().end(), WrapAtomsToCellFunctor(molecule)); molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); return true; } bool CrystalTools::rotateToStandardOrientation(Molecule& molecule, Options opts) { if (!molecule.unitCell()) return false; const UnitCell& cell = *molecule.unitCell(); const Matrix3& before = cell.cellMatrix(); // Extract vector components: const Real& x1 = before(0, 0); const Real& y1 = before(1, 0); const Real& z1 = before(2, 0); const Real& x2 = before(0, 1); const Real& y2 = before(1, 1); const Real& z2 = before(2, 1); const Real& x3 = before(0, 2); const Real& y3 = before(1, 2); const Real& z3 = before(2, 2); // Cache some frequently used values: // Length of v1 const Real L1 = std::hypot(x1, y1, z1); // Squared norm of v1's yz projection const Real sqrdnorm1yz = y1 * y1 + z1 * z1; // Squared norm of v2's yz projection const Real sqrdnorm2yz = y2 * y2 + z2 * z2; // Determinant of v1 and v2's projections in yz plane const Real detv1v2yz = y2 * z1 - y1 * z2; // Scalar product of v1 and v2's projections in yz plane const Real dotv1v2yz = y1 * y2 + z1 * z2; // Used for denominators, since we want to check that they are // sufficiently far from 0 to keep things reasonable: Real denom; const Real DENOM_TOL = 1e-5; // Create target matrix, fill with zeros Matrix3 newMat(Matrix3::Zero()); // Set components of new v1: newMat(0, 0) = L1; // Set components of new v2: denom = L1; if (fabs(denom) < DENOM_TOL) return false; newMat(0, 1) = (x1 * x2 + y1 * y2 + z1 * z2) / denom; newMat(1, 1) = sqrt(x2 * x2 * sqrdnorm1yz + detv1v2yz * detv1v2yz - 2 * x1 * x2 * dotv1v2yz + x1 * x1 * sqrdnorm2yz) / denom; // Set components of new v3 newMat(0, 2) = (x1 * x3 + y1 * y3 + z1 * z3) / denom; denom = L1 * L1 * newMat(1, 1); if (fabs(denom) < DENOM_TOL) return false; newMat(1, 2) = (x1 * x1 * (y2 * y3 + z2 * z3) + x2 * (x3 * sqrdnorm1yz - x1 * (y1 * y3 + z1 * z3)) + detv1v2yz * (y3 * z1 - y1 * z3) - x1 * x3 * dotv1v2yz) / denom; denom = L1 * newMat(1, 1); if (fabs(denom) < DENOM_TOL) return false; // Numerator is determinant of original cell: newMat(2, 2) = before.determinant() / denom; if (opts & RightHanded && newMat(2, 2) < 0.0) newMat(2, 2) *= -1.0; return setCellMatrix(molecule, newMat, opts & TransformAtoms); } bool CrystalTools::setVolume(Molecule& molecule, Real newVolume, Options opts) { if (!molecule.unitCell()) return false; const UnitCell& cell = *molecule.unitCell(); const Real scaleFactor = std::pow(newVolume / cell.volume(), static_cast(1.0 / 3.0)); const Matrix3 newMatrix(cell.cellMatrix() * scaleFactor); return setCellMatrix(molecule, newMatrix, opts & TransformAtoms); } // A collection of fuzzy comparison operators used in the niggli reduction // algorithm: namespace { const double FUZZY_TOL(1e-5); template bool fuzzyLessThan(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (v1 < (v2 - prec)); } template bool fuzzyGreaterThan(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (v2 < (v1 - prec)); } template bool fuzzyEqual(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!(fuzzyLessThan(v1, v2, prec) || fuzzyGreaterThan(v1, v2, prec))); } template bool fuzzyNotEqual(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!(fuzzyEqual(v1, v2, prec))); } template bool fuzzyLessThanEq(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!fuzzyGreaterThan(v1, v2, prec)); } template bool fuzzyGreaterThanEq(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!lt(v1, v2, prec)); } template T niggliSign(T v) { // consider 0 to be positive return (v >= static_cast(0.)) ? static_cast(1.0) : static_cast(-1.0); } template T niggliRound(T v, T dec) { const T shift = std::pow(10.0, dec); const T shifted = v * shift; return std::floor(shifted + 0.5) / shift; } } // namespace bool CrystalTools::niggliReduce(Molecule& molecule, Options opts) { if (!molecule.unitCell()) return false; UnitCell& cell = *molecule.unitCell(); // Maximum number of iterations const unsigned int maxIterations = 1000; // Get cell parameters in storage units, convert deg->rad Real a = cell.a(); Real b = cell.b(); Real c = cell.c(); Real alpha = cell.alpha(); Real beta = cell.beta(); Real gamma = cell.gamma(); // Compute characteristic (step 0) Real A = a * a; Real B = b * b; Real C = c * c; Real xi = 2 * b * c * std::cos(alpha); Real eta = 2 * a * c * std::cos(beta); Real zeta = 2 * a * b * std::cos(gamma); // Return value. bool ret = false; // Comparison tolerance. Real tol = FUZZY_TOL * std::pow(a * b * c, static_cast(1.0 / 3.0)); // Initialize change of basis matrices: // // Although the reduction algorithm produces quantities directly // relatable to a,b,c,alpha,beta,gamma, we will calculate a change // of basis matrix to use instead, and discard A, B, C, xi, eta, // zeta. By multiplying the change of basis matrix against the // current cell matrix, we avoid the problem of handling the // orientation matrix already present in the cell. The inverse of // this matrix can also be used later to convert the atomic // positions. // tmpMat is used to build other matrices Matrix3 tmpMat; // Cache static matrices: // Swap x, y (Used in Step 1). Negatives ensure proper sign of final // determinant. tmpMat << 0, -1, 0, -1, 0, 0, 0, 0, -1; const Matrix3 C1(tmpMat); // Swap y, z (Used in Step 2). Negatives ensure proper sign of final // determinant tmpMat << -1, 0, 0, 0, 0, -1, 0, -1, 0; const Matrix3 C2(tmpMat); // For step 8: tmpMat << 1, 0, 1, 0, 1, 1, 0, 0, 1; const Matrix3 C8(tmpMat); // initial change of basis matrix tmpMat << 1, 0, 0, 0, 1, 0, 0, 0, 1; Matrix3 cob(tmpMat); // Enable debugging output here: /* #define NIGGLI_DEBUG(step) \ std::cout << iter << " " << step << " " << A << " " << B << " " << C \ << " " << xi << " " << eta << " " << zeta << std::endl; */ #define NIGGLI_DEBUG(step) // Allow Argument Dependent Lookup for swap using std::swap; // Perform iterative reduction: unsigned int iter; for (iter = 0; iter < maxIterations; ++iter) { // Step 1: if (fuzzyGreaterThan(A, B, tol) || (fuzzyEqual(A, B, tol) && fuzzyGreaterThan(std::fabs(xi), std::fabs(eta), tol))) { cob *= C1; swap(A, B); swap(xi, eta); NIGGLI_DEBUG(1); } // Step 2: if (fuzzyGreaterThan(B, C, tol) || (fuzzyEqual(B, C, tol) && fuzzyGreaterThan(std::fabs(eta), std::fabs(zeta), tol))) { cob *= C2; swap(B, C); swap(eta, zeta); NIGGLI_DEBUG(2); continue; } // Step 3: // Use exact comparisons in steps 3 and 4. if (xi * eta * zeta > 0) { // Update change of basis matrix: tmpMat << niggliSign(xi), 0, 0, 0, niggliSign(eta), 0, 0, 0, niggliSign(zeta); cob *= tmpMat; // Update characteristic xi = std::fabs(xi); eta = std::fabs(eta); zeta = std::fabs(zeta); NIGGLI_DEBUG(3); ++iter; } // Step 4: // Use exact comparisons for steps 3 and 4 else { // either step 3 or 4 should run // Update change of basis matrix: Real* p = nullptr; Real i = 1; Real j = 1; Real k = 1; if (xi > 0) { i = -1; } else if (!(xi < 0)) { p = &i; } if (eta > 0) { j = -1; } else if (!(eta < 0)) { p = &j; } if (zeta > 0) { k = -1; } else if (!(zeta < 0)) { p = &k; } if (i * j * k < 0) { if (!p) { // This was originally an error message displayed in a dialog: // Niggli-reduction failed. The input structure's lattice is confusing // the Niggli-reduction algorithm. Try making a small perturbation // (approx. 2 orders of magnitude smaller than the tolerance) to the // input lattices and try again. return false; } *p = -1; } tmpMat << i, 0, 0, 0, j, 0, 0, 0, k; cob *= tmpMat; // Update characteristic xi = -std::fabs(xi); eta = -std::fabs(eta); zeta = -std::fabs(zeta); NIGGLI_DEBUG(4); ++iter; } // Step 5: if (fuzzyGreaterThan(std::fabs(xi), B, tol) || (fuzzyEqual(xi, B, tol) && fuzzyLessThan(2 * eta, zeta, tol)) || (fuzzyEqual(xi, -B, tol) && fuzzyLessThan(zeta, Real(0), tol))) { Real signXi = niggliSign(xi); // Update change of basis matrix: tmpMat << 1, 0, 0, 0, 1, -signXi, 0, 0, 1; cob *= tmpMat; // Update characteristic C = B + C - xi * signXi; eta = eta - zeta * signXi; xi = xi - 2 * B * signXi; NIGGLI_DEBUG(5); continue; } // Step 6: if (fuzzyGreaterThan(std::fabs(eta), A, tol) || (fuzzyEqual(eta, A, tol) && fuzzyLessThan(2 * xi, zeta, tol)) || (fuzzyEqual(eta, -A, tol) && fuzzyLessThan(zeta, Real(0), tol))) { Real signEta = niggliSign(eta); // Update change of basis matrix: tmpMat << 1, 0, -signEta, 0, 1, 0, 0, 0, 1; cob *= tmpMat; // Update characteristic C = A + C - eta * signEta; xi = xi - zeta * signEta; eta = eta - 2 * A * signEta; NIGGLI_DEBUG(6); continue; } // Step 7: if (fuzzyGreaterThan(std::fabs(zeta), A, tol) || (fuzzyEqual(zeta, A, tol) && fuzzyLessThan(2 * xi, eta, tol)) || (fuzzyEqual(zeta, -A, tol) && fuzzyLessThan(eta, Real(0), tol))) { Real signZeta = niggliSign(zeta); // Update change of basis matrix: tmpMat << 1, -signZeta, 0, 0, 1, 0, 0, 0, 1; cob *= tmpMat; // Update characteristic B = A + B - zeta * signZeta; xi = xi - eta * signZeta; zeta = zeta - 2 * A * signZeta; NIGGLI_DEBUG(7); continue; } // Step 8: Real sumAllButC = A + B + xi + eta + zeta; if (fuzzyLessThan(sumAllButC, Real(0), tol) || (fuzzyEqual(sumAllButC, Real(0), tol) && fuzzyGreaterThan(2 * (A + eta) + zeta, Real(0), tol))) { // Update change of basis matrix: cob *= C8; // Update characteristic C = sumAllButC + C; xi = 2 * B + xi + zeta; eta = 2 * A + eta + zeta; NIGGLI_DEBUG(8); continue; } // Done! ret = true; break; } // No change if (iter == 0) return true; // Iteration limit exceeded: if (!ret) return false; // Update atoms if needed if (opts & TransformAtoms) { // Get fractional coordinates Array fcoords; if (!fractionalCoordinates(molecule, fcoords)) return false; // fix coordinates with COB matrix: const Matrix3 invCob(cob.inverse()); for (auto& fcoord : fcoords) { fcoord = invCob * fcoord; } // Update cell cell.setCellMatrix(cell.cellMatrix() * cob); // Reapply the fractional coordinates setFractionalCoordinates(molecule, fcoords); } else { // just update the matrix: cell.setCellMatrix(cell.cellMatrix() * cob); } return true; } bool CrystalTools::isNiggliReduced(const Molecule& molecule) { if (!molecule.unitCell()) return false; const UnitCell& cell = *molecule.unitCell(); const Real a = cell.a(); const Real b = cell.b(); const Real c = cell.c(); const Real alpha = cell.alpha(); const Real beta = cell.beta(); const Real gamma = cell.gamma(); const Real A = a * a; const Real B = b * b; const Real C = c * c; const Real xi = static_cast(2) * b * c * std::cos(alpha); const Real eta = static_cast(2) * a * c * std::cos(beta); const Real zeta = static_cast(2) * a * b * std::cos(gamma); const Real tol = FUZZY_TOL * ((a + b + c) * static_cast(1. / 3.)); // First check the Buerger conditions. Taken from: Gruber B.. Acta // Cryst. A. 1973;29(4):433-440. Available at: // http://scripts.iucr.org/cgi-bin/paper?S0567739473001063 // [Accessed December 15, 2010]. if (fuzzyGreaterThan(A, B, tol) || fuzzyGreaterThan(B, C, tol)) return false; if (fuzzyEqual(A, B, tol) && fuzzyGreaterThan(std::fabs(xi), std::fabs(eta), tol)) { return false; } if (fuzzyEqual(B, C, tol) && fuzzyGreaterThan(std::fabs(eta), std::fabs(zeta), tol)) { return false; } if (!(fuzzyGreaterThan(xi, static_cast(0.0), tol) && fuzzyGreaterThan(eta, static_cast(0.0), tol) && fuzzyGreaterThan(zeta, static_cast(0.0), tol)) && !(fuzzyLessThanEq(zeta, static_cast(0.0), tol) && fuzzyLessThanEq(zeta, static_cast(0.0), tol) && fuzzyLessThanEq(zeta, static_cast(0.0), tol))) { return false; } // Check against Niggli conditions (taken from Gruber 1973). The // logic of the second comparison is reversed from the paper to // simplify the algorithm. if (fuzzyEqual(xi, B, tol) && fuzzyGreaterThan(zeta, static_cast(2) * eta, tol)) { return false; } if (fuzzyEqual(eta, A, tol) && fuzzyGreaterThan(zeta, static_cast(2) * xi, tol)) { return false; } if (fuzzyEqual(zeta, A, tol) && fuzzyGreaterThan(eta, static_cast(2) * xi, tol)) { return false; } if (fuzzyEqual(xi, -B, tol) && fuzzyNotEqual(zeta, static_cast(0), tol)) { return false; } if (fuzzyEqual(eta, -A, tol) && fuzzyNotEqual(zeta, static_cast(0), tol)) { return false; } if (fuzzyEqual(zeta, -A, tol) && fuzzyNotEqual(eta, static_cast(0), tol)) { return false; } if (fuzzyEqual(xi + eta + zeta + A + B, static_cast(0), tol) && fuzzyGreaterThan(static_cast(2) * (A + eta) + zeta, static_cast(0), tol)) { return false; } // all good! return true; } bool CrystalTools::buildSupercell(Molecule& molecule, unsigned int a, unsigned int b, unsigned int c) { if (!molecule.unitCell()) return false; // Just a check. Hopefully this won't happen if (a == 0 || b == 0 || c == 0) { std::cerr << "Warning: in buildSupercell(), a, b, or c were set to zero." << "This function will not proceed. Returning false."; return false; } // Get the old vectors Vector3 oldA = molecule.unitCell()->aVector(); Vector3 oldB = molecule.unitCell()->bVector(); Vector3 oldC = molecule.unitCell()->cVector(); // Calculate new vectors Vector3 newA = oldA * a; Vector3 newB = oldB * b; Vector3 newC = oldC * c; // archive the old bond pairs and orders Array> bondPairs = molecule.bondPairs(); Array bondOrders = molecule.bondOrders(); // Add in the atoms to the new subcells of the supercell. // Track index mapping: indexMap[copyIndex][origAtomIndex] -> new atom index, // so bonds can be copied correctly even when duplicates are skipped. Index numAtoms = molecule.atomCount(); Array atoms = molecule.atomPositions3d(); Array atomicNums = molecule.atomicNumbers(); const double dupTol = 0.01; // Copy 0 is the original subcell — identity mapping unsigned totalCopies = a * b * c; std::vector> indexMap(totalCopies, std::vector(numAtoms)); for (Index i = 0; i < numAtoms; ++i) indexMap[0][i] = i; unsigned copyIdx = 1; for (Index ind_a = 0; ind_a < a; ++ind_a) { for (Index ind_b = 0; ind_b < b; ++ind_b) { for (Index ind_c = 0; ind_c < c; ++ind_c) { // Skip over the subcell that already exists if (ind_a == 0 && ind_b == 0 && ind_c == 0) continue; // The positions of the new atoms are displacements of the old atoms Vector3 displacement = ind_a * oldA + ind_b * oldB + ind_c * oldC; for (Index i = 0; i < numAtoms; ++i) { Vector3 newPos = atoms.at(i) + displacement; // Check if this duplicates an existing atom (e.g., translational // copies at fractional ~1.0 overlap with the next subcell's ~0.0) Index existingIdx = molecule.atomCount(); // sentinel for (Index k = 0; k < molecule.atomCount(); ++k) { if ((molecule.atomPosition3d(k) - newPos).norm() < dupTol) { existingIdx = k; break; } } if (existingIdx < molecule.atomCount()) { indexMap[copyIdx][i] = existingIdx; } else { Atom newAtom = molecule.addAtom(atomicNums.at(i)); newAtom.setPosition3d(newPos); indexMap[copyIdx][i] = newAtom.index(); } } ++copyIdx; } } } // Now add the bonds using the index map for (Index i = 0; i < bondPairs.size(); ++i) { std::pair bond = bondPairs.at(i); for (unsigned j = 0; j < totalCopies; ++j) { Index a1 = indexMap[j][bond.first]; Index a2 = indexMap[j][bond.second]; // Avoid adding duplicate bonds (duplicated atoms may share bonds) if (j > 0 && !molecule.bond(a1, a2).isValid()) molecule.addBond(a1, a2, bondOrders.at(i)); } } // Now set the unit cell molecule.unitCell()->setAVector(newA); molecule.unitCell()->setBVector(newB); molecule.unitCell()->setCVector(newC); // We're done! return true; } namespace { struct TransformAtomsFunctor { TransformAtomsFunctor(const Matrix3& t) : transform(t) {} const Matrix3& transform; void operator()(Vector3& pos) { pos = transform * pos; } }; } // namespace bool CrystalTools::setCellMatrix(Molecule& molecule, const Matrix3& newCellColMatrix, Options opt) { if (opt & TransformAtoms && molecule.unitCell()) { const Matrix3 xform(newCellColMatrix * molecule.unitCell()->cellMatrix().inverse()); std::for_each(molecule.atomPositions3d().begin(), molecule.atomPositions3d().end(), TransformAtomsFunctor(xform)); } if (!UnitCell::isRegular(newCellColMatrix)) { std::cerr << __FUNCTION__ << " cell matrix is singular\n"; return false; } // only create a new unit cell if it doesn't exist if (!molecule.unitCell()) molecule.setUnitCell(new UnitCell); molecule.unitCell()->setCellMatrix(newCellColMatrix); return true; } namespace { struct FractionalCoordinatesFunctor { const UnitCell& unitCell; FractionalCoordinatesFunctor(const UnitCell& uc) : unitCell(uc) {} void operator()(Vector3& pos) { unitCell.toFractional(pos, pos); } }; } // namespace bool CrystalTools::fractionalCoordinates(const UnitCell& unitCell, const Array& cart, Array& frac) { if (&frac != &cart) // avoid self-copy... frac = cart; std::for_each(frac.begin(), frac.end(), FractionalCoordinatesFunctor(unitCell)); return true; } bool CrystalTools::fractionalCoordinates(const Molecule& molecule, Array& coords) { if (!molecule.unitCell()) return false; coords = molecule.atomPositions3d(); coords.resize(molecule.atomCount()); return fractionalCoordinates(*molecule.unitCell(), coords, coords); } namespace { struct SetFractionalCoordinatesFunctor { const UnitCell& unitCell; SetFractionalCoordinatesFunctor(const Molecule& molecule) : unitCell(*molecule.unitCell()) { } Vector3 operator()(const Vector3& pos) { return unitCell.toCartesian(pos); } }; } // namespace bool CrystalTools::setFractionalCoordinates(Molecule& molecule, const Array& coords) { if (!molecule.unitCell()) return false; if (coords.size() != molecule.atomCount()) return false; Array& output = molecule.atomPositions3d(); output.resize(coords.size()); std::transform(coords.begin(), coords.end(), output.begin(), SetFractionalCoordinatesFunctor(molecule)); return true; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/crystaltools.h000066400000000000000000000137251516317240700251470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_CRYSTALTOOLS_H #define AVOGADRO_CORE_CRYSTALTOOLS_H #include "avogadrocoreexport.h" #include "array.h" #include "avogadrocore.h" #include "matrix.h" #include "vector.h" namespace Avogadro::Core { class Molecule; class UnitCell; /** * @class CrystalTools crystaltools.h * @brief The CrystalTools class contains a collection of static functions * that perform common crystallographic operations on a Core::Molecule. */ class AVOGADROCORE_EXPORT CrystalTools { public: /** * @brief The Option enum provides bitwise option flags for the various * algorithms. */ enum Option { /** No options specified. */ None = 0x0, /** Transform atoms along with the unit cell. */ TransformAtoms = 0x1, /** Enforce right-handed system */ RightHanded = 0x2 }; using Options = int; /** * Adjust the atomic positions in @a molecule so that the fractional (lattice) * coordinates of all atoms are in the range [0, 1]. * @return True on success, false otherwise. */ static bool wrapAtomsToUnitCell(Molecule& molecule); /** * This function will rotate the input molecule so that the unit cell's 'a' * vector is aligned to the x-axis, and the 'b' axis is in the xy-plane. It * does not use trig functions or the cell parameters, since such * implementations are fragile and cannot handle negative cell angles. The * derivation of this algorithm can be found at * http://xtalopt.openmolecules.net/misc/rotateToStdOrientation.pdf. * * @param opts If TransformAtoms is specified, the atoms in @a molecule are * rotated along with the unit cell. * @return True on success, false otherwise. */ static bool rotateToStandardOrientation(Molecule& molecule, Options opts = None); /** * Isotropically scale the volume of the unit cell in @a molecule to @a * newVolume (in cubic angstrom). * @param opts If TransformAtoms is specified, the atoms in @a molecule are * adjusted so that their fractional (lattice) coordinates are preserved. * @return True on success, false on failure. */ static bool setVolume(Molecule& molecule, Real newVolume, Options opts = None); /** * Perform a Niggli reduction on @a molecule's unit cell. This produces a * canonical unit cell representation that strives to be as cubic as possible. * @note Implements the niggli reduction algorithm detailed in: * Grosse-Kunstleve RW, Sauter NK, Adams PD. Numerically stable * algorithms for the computation of reduced unit cells. Acta * Crystallographica Section A Foundations of * Crystallography. 2003;60(1):1-6. * @param opts If TransformAtoms is specified, the atom positions are modified * to ensure that the same extended atomic structure from the input is * represented by the output. * @return True on success, false on failure. */ static bool niggliReduce(Molecule& molecule, Options opts = None); /** * Return true if the unit cell in @a molecule is already Niggli-reduced. This * method checks the conditions listed in the paper Gruber B.. Acta Cryst. A. * 1973;29(4):433-440. */ static bool isNiggliReduced(const Molecule& mol); /** * Build a supercell by expanding upon the unit cell of @a molecule. It will * only return false if the molecule does not have a unit cell or if a, b, or * c is set to zero. * @param a The number of units along lattice vector a for the supercell * @param b The number of units along lattice vector b for the supercell * @param c The number of units along lattice vector c for the supercell * @return True on success, false on failure. */ static bool buildSupercell(Molecule& molecule, unsigned int a, unsigned int b, unsigned int c); /** * Set the unit cell in @a molecule to represent the real-space column-vector * unit cell description in @a newCellColMatrix. A unit cell is created if * needed. * @param opt If TransformAtoms is specified, the atoms in @a molecule are * adjusted so that their fractional (lattice) coordinates are preserved. This * option is ignored if the input molecule has no unit cell. * @return True on success, false otherwise. */ static bool setCellMatrix(Molecule& molecule, const Matrix3& newCellColMatrix, Options opt = None); /** * Populate the @a frac vector with the fractional representation of the * cartesian coordinates in @a cart, using @a unitCell to perform the * coordinate transformation. * @return True on success, false otherwise. */ static bool fractionalCoordinates(const UnitCell& unitCell, const Array& cart, Array& frac); /** * Populate the @a coords vector with the fractional coordinates of the atoms * in @a molecule, using the unit cell of @a molecule to perform the * coordinate transformation. Coordinates are ordered the same as the * Molecule::atomPositions3d() result. * @return True on success, false otherwise. */ static bool fractionalCoordinates(const Molecule& molecule, Array& coords); /** * Set the atomic positions of @a molecule to the fractional coordinates in * @a coords, using the unit cell of @a molecule to perform the coordinate * transformation. */ static bool setFractionalCoordinates(Molecule& molecule, const Array& coords); private: CrystalTools(); // not implemented ~CrystalTools(); // not implemented }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_CRYSTALTOOLS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/cube.cpp000066400000000000000000000317011516317240700236500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cube.h" #include "molecule.h" #include "mutex.h" namespace Avogadro::Core { Cube::Cube() : m_data(0), m_min(0.0, 0.0, 0.0), m_max(0.0, 0.0, 0.0), m_spacing(0.0, 0.0, 0.0), m_points(0, 0, 0), m_minValue(0.0), m_maxValue(0.0), m_cubeType(None), m_lock(nullptr) { } Cube::~Cube() { // delete m_lock; m_lock = nullptr; } bool Cube::setLimits(const Vector3& min_, const Vector3& max_, const Vector3i& points) { // We can calculate all necessary properties and initialise our data Vector3 delta = max_ - min_; m_spacing = Vector3(delta.x() / (points.x() - 1), delta.y() / (points.y() - 1), delta.z() / (points.z() - 1)); m_min = min_; m_max = max_; m_points = points; m_data.resize(m_points.x() * m_points.y() * m_points.z()); return true; } bool Cube::setLimits(const Vector3& min_, const Vector3& max_, float spacing_) { Vector3 delta = max_ - min_; delta = delta / spacing_; return setLimits(min_, max_, delta.cast()); } bool Cube::setLimits(const Vector3& min_, const Vector3i& dim, float spacing_) { return setLimits(min_, dim, Vector3(spacing_, spacing_, spacing_)); } bool Cube::setLimits(const Vector3& min_, const Vector3i& dim, const Vector3& spacing_) { Vector3 max_ = Vector3(min_.x() + (dim.x() - 1) * spacing_[0], min_.y() + (dim.y() - 1) * spacing_[1], min_.z() + (dim.z() - 1) * spacing_[2]); m_min = min_; m_max = max_; m_points = dim; m_spacing = spacing_; m_data.resize(m_points.x() * m_points.y() * m_points.z()); return true; } bool Cube::setLimits(const Cube& cube) { m_min = cube.m_min; m_max = cube.m_max; m_points = cube.m_points; m_spacing = cube.m_spacing; m_data.resize(m_points.x() * m_points.y() * m_points.z()); return true; } bool Cube::setLimits(const Molecule& mol, float spacing_, float padding) { Index numAtoms = mol.atomCount(); Vector3 min_, max_; if (numAtoms) { Vector3 curPos = min_ = max_ = mol.atomPositions3d()[0]; for (Index i = 1; i < numAtoms; ++i) { curPos = mol.atomPositions3d()[i]; if (curPos.x() < min_.x()) min_.x() = curPos.x(); if (curPos.x() > max_.x()) max_.x() = curPos.x(); if (curPos.y() < min_.y()) min_.y() = curPos.y(); if (curPos.y() > max_.y()) max_.y() = curPos.y(); if (curPos.z() < min_.z()) min_.z() = curPos.z(); if (curPos.z() > max_.z()) max_.z() = curPos.z(); } } else { min_ = max_ = Vector3::Zero(); } // Now to take care of the padding term min_ += Vector3(-padding, -padding, -padding); max_ += Vector3(padding, padding, padding); return setLimits(min_, max_, spacing_); } std::vector* Cube::data() { return &m_data; } const std::vector* Cube::data() const { return &m_data; } bool Cube::setData(const std::vector& values) { if (!values.size()) return false; if (static_cast(values.size()) == m_points.x() * m_points.y() * m_points.z()) { m_data = values; // Now to update the minimum and maximum values m_minValue = m_maxValue = m_data[0]; for (float value : values) { if (value < m_minValue) m_minValue = value; else if (value > m_maxValue) m_maxValue = value; } return true; } else { return false; } } bool Cube::addData(const std::vector& values) { // Initialise the cube to zero if necessary if (!m_data.size()) m_data.resize(m_points.x() * m_points.y() * m_points.z()); if (values.size() != m_data.size() || !values.size()) return false; for (unsigned int i = 0; i < m_data.size(); i++) { m_data[i] += values[i]; if (m_data[i] < m_minValue) m_minValue = m_data[i]; else if (m_data[i] > m_maxValue) m_maxValue = m_data[i]; } return true; } unsigned int Cube::closestIndex(const Vector3& pos) const { int i, j, k; // Calculate how many steps each coordinate is along its axis i = int((pos.x() - m_min.x()) / m_spacing.x()); j = int((pos.y() - m_min.y()) / m_spacing.y()); k = int((pos.z() - m_min.z()) / m_spacing.z()); return i * m_points.y() * m_points.z() + j * m_points.z() + k; } Vector3i Cube::indexVector(const Vector3& pos) const { // Calculate how many steps each coordinate is along its axis int i, j, k; i = int((pos.x() - m_min.x()) / m_spacing.x()); j = int((pos.y() - m_min.y()) / m_spacing.y()); k = int((pos.z() - m_min.z()) / m_spacing.z()); return Vector3i(i, j, k); } Vector3 Cube::position(unsigned int index) const { int x, y, z; x = int(index / (m_points.y() * m_points.z())); y = int((index - (x * m_points.y() * m_points.z())) / m_points.z()); z = index % m_points.z(); return Vector3(x * m_spacing.x() + m_min.x(), y * m_spacing.y() + m_min.y(), z * m_spacing.z() + m_min.z()); } float Cube::value(int i, int j, int k) const { unsigned int index = i * m_points.y() * m_points.z() + j * m_points.z() + k; if (index < m_data.size()) return m_data[index]; else return 0.0; } std::array Cube::computeGradient(int i, int j, int k) const { int nx = m_points.x(); int ny = m_points.y(); int nz = m_points.z(); int dataIdx = (i * ny * nz) + (j * nz) + k; std::array, 3> x; std::array run; // X-direction if (i == 0) { x[0][0] = m_data[dataIdx + ny * nz]; x[0][1] = m_data[dataIdx]; run[0] = m_spacing.x(); } else if (i == (nx - 1)) { x[0][0] = m_data[dataIdx]; x[0][1] = m_data[dataIdx - ny * nz]; run[0] = m_spacing.x(); } else { x[0][0] = m_data[dataIdx + ny * nz]; x[0][1] = m_data[dataIdx - ny * nz]; run[0] = 2 * m_spacing.x(); } // Y-direction if (j == 0) { x[1][0] = m_data[dataIdx + nz]; x[1][1] = m_data[dataIdx]; run[1] = m_spacing.y(); } else if (j == (ny - 1)) { x[1][0] = m_data[dataIdx]; x[1][1] = m_data[dataIdx - nz]; run[1] = m_spacing.y(); } else { x[1][0] = m_data[dataIdx + nz]; x[1][1] = m_data[dataIdx - nz]; run[1] = 2 * m_spacing.y(); } // Z-direction if (k == 0) { x[2][0] = m_data[dataIdx + 1]; x[2][1] = m_data[dataIdx]; run[2] = m_spacing.z(); } else if (k == (nz - 1)) { x[2][0] = m_data[dataIdx]; x[2][1] = m_data[dataIdx - 1]; run[2] = m_spacing.z(); } else { x[2][0] = m_data[dataIdx + 1]; x[2][1] = m_data[dataIdx - 1]; run[2] = 2 * m_spacing.z(); } std::array ret; ret[0] = (x[0][1] - x[0][0]) / run[0]; ret[1] = (x[1][1] - x[1][0]) / run[1]; ret[2] = (x[2][1] - x[2][0]) / run[2]; return ret; } std::array, 8> Cube::getGradCube(int i, int j, int k) const { std::array, 8> grad; grad[0] = computeGradient(i, j, k); grad[1] = computeGradient(i + 1, j, k); grad[2] = computeGradient(i + 1, j + 1, k); grad[3] = computeGradient(i, j + 1, k); grad[4] = computeGradient(i, j, k + 1); grad[5] = computeGradient(i + 1, j, k + 1); grad[6] = computeGradient(i + 1, j + 1, k + 1); grad[7] = computeGradient(i, j + 1, k + 1); return grad; } std::array Cube::getValsCube(int i, int j, int k) const { std::array vals; vals[0] = getData(i, j, k); vals[1] = getData(i + 1, j, k); vals[2] = getData(i + 1, j + 1, k); vals[3] = getData(i, j + 1, k); vals[4] = getData(i, j, k + 1); vals[5] = getData(i + 1, j, k + 1); vals[6] = getData(i + 1, j + 1, k + 1); vals[7] = getData(i, j + 1, k + 1); return vals; } float Cube::getData(int i, int j, int k) const { int ny = m_points.y(); int nz = m_points.z(); return m_data[(i * ny * nz) + (j * nz) + k]; } std::array, 8> Cube::getPosCube(int i, int j, int k) const { std::array, 8> pos; float xpos = m_min.x() + (i * m_spacing.x()); float ypos = m_min.y() + (j * m_spacing.y()); float zpos = m_min.z() + (k * m_spacing.z()); pos[0][0] = xpos; pos[0][1] = ypos; pos[0][2] = zpos; pos[1][0] = xpos + m_spacing.x(); pos[1][1] = ypos; pos[1][2] = zpos; pos[2][0] = xpos + m_spacing.x(); pos[2][1] = ypos + m_spacing.y(); pos[2][2] = zpos; pos[3][0] = xpos; pos[3][1] = ypos + m_spacing.y(); pos[3][2] = zpos; pos[4][0] = xpos; pos[4][1] = ypos; pos[4][2] = zpos + m_spacing.z(); pos[5][0] = xpos + m_spacing.x(); pos[5][1] = ypos; pos[5][2] = zpos + m_spacing.z(); pos[6][0] = xpos + m_spacing.x(); pos[6][1] = ypos + m_spacing.y(); pos[6][2] = zpos + m_spacing.z(); pos[7][0] = xpos; pos[7][1] = ypos + m_spacing.y(); pos[7][2] = zpos + m_spacing.z(); return pos; } float Cube::value(const Vector3i& pos) const { unsigned int index = pos.x() * m_points.y() * m_points.z() + pos.y() * m_points.z() + pos.z(); if (index < m_data.size()) return m_data[index]; else return 6969.0; } float Cube::valuef(const Vector3f& pos) const { // This is a really expensive operation and so should be avoided // Interpolate the value at the supplied vector - trilinear interpolation... Vector3f delta = pos - m_min.cast(); // Find the integer low and high corners Vector3i lC(static_cast(delta.x() / m_spacing.x()), static_cast(delta.y() / m_spacing.y()), static_cast(delta.z() / m_spacing.z())); Vector3i hC(lC.x() + 1, lC.y() + 1, lC.z() + 1); // So there are six corners in total - work out the delta of the position // and the low corner const Vector3f lCf(lC.cast()); const Vector3f spacingf(m_spacing.cast()); Vector3f P((delta.x() - lCf.x() * spacingf.x()) / spacingf.x(), (delta.y() - lCf.y() * spacingf.y()) / spacingf.y(), (delta.z() - lCf.z() * spacingf.z()) / spacingf.z()); Vector3f dP = Vector3f(1.0f, 1.0f, 1.0f) - P; // Now calculate and return the interpolated value return static_cast( value(lC.x(), lC.y(), lC.z()) * dP.x() * dP.y() * dP.z() + value(hC.x(), lC.y(), lC.z()) * P.x() * dP.y() * dP.z() + value(lC.x(), hC.y(), lC.z()) * dP.x() * P.y() * dP.z() + value(lC.x(), lC.y(), hC.z()) * dP.x() * dP.y() * P.z() + value(hC.x(), lC.y(), hC.z()) * P.x() * dP.y() * P.z() + value(lC.x(), hC.y(), hC.z()) * dP.x() * P.y() * P.z() + value(hC.x(), hC.y(), lC.z()) * P.x() * P.y() * dP.z() + value(hC.x(), hC.y(), hC.z()) * P.x() * P.y() * P.z()); } float Cube::value(const Vector3& pos) const { // This is a really expensive operation and so should be avoided // Interpolate the value at the supplied vector - trilinear interpolation... Vector3 delta = pos - m_min; // Find the integer low and high corners Vector3i lC(static_cast(delta.x() / m_spacing.x()), static_cast(delta.y() / m_spacing.y()), static_cast(delta.z() / m_spacing.z())); Vector3i hC(lC.x() + 1, lC.y() + 1, lC.z() + 1); // So there are six corners in total - work out the delta of the position // and the low corner Vector3 P((delta.x() - lC.x() * m_spacing.x()) / m_spacing.x(), (delta.y() - lC.y() * m_spacing.y()) / m_spacing.y(), (delta.z() - lC.z() * m_spacing.z()) / m_spacing.z()); Vector3 dP = Vector3(1.0, 1.0, 1.0) - P; // Now calculate and return the interpolated value return value(lC.x(), lC.y(), lC.z()) * dP.x() * dP.y() * dP.z() + value(hC.x(), lC.y(), lC.z()) * P.x() * dP.y() * dP.z() + value(lC.x(), hC.y(), lC.z()) * dP.x() * P.y() * dP.z() + value(lC.x(), lC.y(), hC.z()) * dP.x() * dP.y() * P.z() + value(hC.x(), lC.y(), hC.z()) * P.x() * dP.y() * P.z() + value(lC.x(), hC.y(), hC.z()) * dP.x() * P.y() * P.z() + value(hC.x(), hC.y(), lC.z()) * P.x() * P.y() * dP.z() + value(hC.x(), hC.y(), hC.z()) * P.x() * P.y() * P.z(); } bool Cube::setValue(unsigned int i, unsigned int j, unsigned int k, float value_) { unsigned int index = i * m_points.y() * m_points.z() + j * m_points.z() + k; if (index >= m_data.size()) return false; m_data[index] = value_; if (value_ < m_minValue) m_minValue = value_; else if (value_ > m_maxValue) m_maxValue = value_; return true; } void Cube::fill(float value_) { std::fill(m_data.begin(), m_data.end(), value_); m_minValue = m_maxValue = value_; } bool Cube::fillStripe(unsigned int i, unsigned int j, unsigned int kfirst, unsigned int klast, float value_) { unsigned int stripeStartIndex = i * m_points.y() * m_points.z() + j * m_points.z(); unsigned int firstIndex = stripeStartIndex + kfirst; if (firstIndex >= m_data.size()) return false; unsigned int lastIndex = stripeStartIndex + klast; if (lastIndex >= m_data.size()) return false; std::fill(&m_data[firstIndex], &m_data[lastIndex + 1], value_); return true; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/cube.h000066400000000000000000000217471516317240700233260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_CUBE_H #define AVOGADRO_CORE_CUBE_H #include "avogadrocoreexport.h" #include "vector.h" #include #include namespace Avogadro::Core { class Molecule; class Mutex; /** * @class Cube cube.h * @brief Provide a data structure for regularly spaced 3D grids. * @author Marcus D. Hanwell * @author Perminder Singh */ class AVOGADROCORE_EXPORT Cube { public: Cube(); ~Cube(); /** * \enum Type * Different Cube types relating to the data */ enum Type { VdW, SolventAccessible, SolventExcluded, ESP, ElectronDensity, SpinDensity, MO, FromFile, None }; /** * @return The minimum point in the cube. */ Vector3 min() const { return m_min; } /** * @return The maximum point in the cube. */ Vector3 max() const { return m_max; } /** * @return The spacing of the grid. */ Vector3 spacing() const { return m_spacing; } /** * @return The x, y and z dimensions of the cube. */ Vector3i dimensions() const { return m_points; } /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param max The maximum point in the cube. * @param points The number of (integer) points in the cube. */ bool setLimits(const Vector3& min, const Vector3& max, const Vector3i& points); /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param max The maximum point in the cube. * @param spacing The interval between points in the cube. */ bool setLimits(const Vector3& min, const Vector3& max, float spacing); /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param dim The integer dimensions of the cube in x, y and z. * @param spacing The interval between points in the cube. */ bool setLimits(const Vector3& min, const Vector3i& dim, float spacing); /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param dim The integer dimensions of the cube in x, y and z. * @param spacing The interval between points in the cube. */ bool setLimits(const Vector3& min, const Vector3i& dim, const Vector3& spacing); /** * Set the limits of the cube - copy the limits of an existing Cube. * @param cube Existing Cube to copy the limits from. */ bool setLimits(const Cube& cube); /** * Set the limits of the cube. * @param mol Molecule to take limits from * @param spacing The spacing of the regular grid * @param padding Padding around the molecule */ bool setLimits(const Molecule& mol, float spacing, float padding); /** * @return Pointer to the vector containing all the data in a one-dimensional * array. */ std::vector* data(); const std::vector* data() const; /** * Set the values in the cube to those passed in the vector. */ bool setData(const std::vector& values); /** * Adds the values in the cube to those passed in the vector. */ bool addData(const std::vector& values); /** * @return Const iterator to the beginning of a specific row in the cube data. */ std::vector::const_iterator getRowIter(int j, int k) const; /** * @return Index of the point closest to the position supplied. * @param pos Position to get closest index for. */ unsigned int closestIndex(const Vector3& pos) const; /** * @param pos Position to get closest index for. * @return The i, j, k index closest to the position supplied. */ Vector3i indexVector(const Vector3& pos) const; /** * @param index Index to be translated to a position. * @return Position of the given index. */ Vector3 position(unsigned int index) const; /** * This function is very quick as it just returns the value at the point. * @return Cube value at the integer point i, j, k. */ float value(int i, int j, int k) const; /** * This function is very quick as it just returns the value at the point. * @return Cube value at the integer point pos. */ float value(const Vector3i& pos) const; /** * This function uses trilinear interpolation to find the value at points * between those specified in the cube. * @return Cube value at the specified position. * @warning This function is quite computationally expensive and should be * avoided where possible. */ float valuef(const Vector3f& pos) const; /** * This function uses trilinear interpolation to find the value at points * between those specified in the cube. * @return Cube value at the specified position. * @warning This function is quite computationally expensive and should be * avoided where possible. */ float value(const Vector3& pos) const; /** * Sets the value at the specified point in the cube. * @param i x component of the position. * @param j y component of the position. * @param k z component of the position. * @param value Value at the specified position. */ bool setValue(unsigned int i, unsigned int j, unsigned int k, float value); /** * Sets the value at the specified index in the cube. * @param i 1-dimensional index of the point to set in the cube. */ bool setValue(unsigned int i, float value); /** * Sets all indices in the cube to the specified value. * @param value Value to fill the cube with. */ void fill(float value); /** * Sets all indices in a Z stripe of the cube to the specified value. * @param i x component of the position. * @param j y component of the position. * @param kfirst first z position to fill. * @param klast last z position to fill. * @param value Value to fill the stripe with. */ bool fillStripe(unsigned int i, unsigned int j, unsigned int kfirst, unsigned int klast, float value); /** * @return The minimum value at any point in the Cube. */ float minValue() const { return m_minValue; } /** * @return The maximum value at any point in the Cube. */ float maxValue() const { return m_maxValue; } void setName(const std::string& name_) { m_name = name_; } std::string name() const { return m_name; } void setCubeType(Type type) { m_cubeType = type; } Type cubeType() const { return m_cubeType; } /** * Provides locking. */ Mutex* lock() const { return m_lock; } /** * Compute the gradient at a specific point in the cube. * @param i x index * @param j y index * @param k z index * @return Gradient vector at the specified point. */ std::array computeGradient(int i, int j, int k) const; /** * Get the values of the eight corners of a cube defined by the indices * (i, j, k). * @param i x index * @param j y index * @param k z index * @return Array of values at the eight corners. */ std::array getValsCube(int i, int j, int k) const; /** * Get the gradients at the eight corners of the cube defined by the indices * (i, j, k). * @param i x index * @param j y index * @param k z index * @return Array of gradients at the eight corners. Each gradient is a 3D * vector. */ std::array, 8> getGradCube(int i, int j, int k) const; /** * Get the data value at the specified indices. * @param i x index * @param j y index * @param k z index * @return Value at the specified indices. */ float getData(int i, int j, int k) const; int nx() const { return m_points.x(); } int ny() const { return m_points.y(); } int nz() const { return m_points.z(); } inline unsigned int linearIndex(int x, int y, int z) const; /** * Retrieves the positions of the eight corners of a cube at grid indices * (i, j, k). * * The indices (i, j, k) are converted to real-space positions (xpos, ypos, * zpos), mapping grid indices to physical coordinates. The method returns a * cube that spans one step in each of the x, y, and z directions, with step * sizes defined by `m_spacing`. * * @param i X-index. * @param j Y-index. * @param k Z-index. * @return A `std::array` of eight `(x, y, z)` coordinates representing the * cube's corners. */ std::array, 8> getPosCube(int i, int j, int k) const; protected: std::vector m_data; Vector3 m_min, m_max, m_spacing; Vector3i m_points; float m_minValue, m_maxValue; std::string m_name; Type m_cubeType; Mutex* m_lock; }; inline bool Cube::setValue(unsigned int i, float value_) { if (i < m_data.size()) { m_data[i] = value_; if (value_ > m_maxValue) m_maxValue = value_; if (value_ < m_minValue) m_minValue = value_; return true; } else return false; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_CUBE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/dihedraliterator.cpp000066400000000000000000000130421516317240700262560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dihedraliterator.h" #include #include namespace Avogadro::Core { DihedralIterator::DihedralIterator(const Molecule* mol) : m_i(MaxIndex), m_jk(0), m_l(MaxIndex), m_mol(mol) { m_current = std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); } Dihedral DihedralIterator::begin() { // all the logic is in the operator++ return ++(*this); } Dihedral DihedralIterator::operator++() { // impossible to have a dihedral, so quit if (m_mol == nullptr || m_mol->atomCount() < 4 || m_mol->bondCount() < 3) return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); Graph graph = m_mol->graph(); Index count = m_mol->bondCount(); // true if we have a valid current state // (i.e. false at the start) bool valid = (m_i != MaxIndex && m_l != MaxIndex); // m_jk is the current bond (i.e. index into the bonds) // m_i and m_l are instead index into the neighbors of m_jk // (i.e., m_i is the index into the neighbors of the first atom of the bond) // and m_l is the index into the neighbors of the second atom of the bond Index iIndex = MaxIndex; Index lIndex = MaxIndex; // if we don't have a valid state, try to find an initial dihedral if (!valid) { for (Index i = 0; i < count; ++i) { const Bond bond = m_mol->bond(i); const auto& neighbors1 = graph.neighbors(bond.atom1().index()); const auto& neighbors2 = graph.neighbors(bond.atom2().index()); if (neighbors1.size() < 1 || neighbors2.size() < 1) continue; // need to have at least one neighbor m_jk = i; // make sure that m_i doesn't point to atom2 m_i = 0; if (neighbors1[m_i] == bond.atom2().index()) { // try to increment m_i if (m_i + 1 < neighbors1.size()) { ++m_i; } else { continue; // this central bond doesn't work } } m_l = 0; // make sure that m_l doesn't point to atom1 if (neighbors2[m_l] == bond.atom1().index()) { // try to increment m_l if (m_l + 1 < neighbors2.size()) { ++m_l; } else { continue; // this central bond doesn't work } } iIndex = neighbors1[m_i]; lIndex = neighbors2[m_l]; valid = true; break; } } else { // we have a valid state, try to find the next dihedral const Bond bond = m_mol->bond(m_jk); const auto& neighbors1 = graph.neighbors(bond.atom1().index()); const auto& neighbors2 = graph.neighbors(bond.atom2().index()); // first check if we can increment m_l while (m_l + 1 < neighbors2.size()) { ++m_l; // make sure that m_l doesn't point to atom1 if (neighbors2[m_l] == bond.atom1().index()) { continue; // increment it again } iIndex = neighbors1[m_i]; lIndex = neighbors2[m_l]; m_current = std::make_tuple(iIndex, bond.atom1().index(), bond.atom2().index(), lIndex); return m_current; } // we can try to increment m_i while (m_i + 1 < neighbors1.size()) { ++m_i; // make sure that m_i doesn't point to atom2 if (neighbors1[m_i] == bond.atom2().index()) { // try to increment m_i again continue; } // reset m_l and make sure it doesn't point to atom1 m_l = 0; if (neighbors2[m_l] == bond.atom1().index()) { // try to increment m_l if (m_l + 1 < neighbors2.size()) { ++m_l; } else { continue; // this combination doesn't work } } iIndex = neighbors1[m_i]; lIndex = neighbors2[m_l]; m_current = std::make_tuple(iIndex, bond.atom1().index(), bond.atom2().index(), lIndex); return m_current; } // okay, try to increment m_jk and reset m_i and m_l valid = false; for (Index i = m_jk + 1; i < count; ++i) { const Bond bondI = m_mol->bond(i); const auto& newNeighbors1 = graph.neighbors(bondI.atom1().index()); const auto& newNeighbors2 = graph.neighbors(bondI.atom2().index()); if (newNeighbors1.size() < 1 || newNeighbors2.size() < 1) continue; // need to have at least one neighbor m_jk = i; // make sure that m_i doesn't point to atom2 m_i = 0; if (newNeighbors1[m_i] == bondI.atom2().index()) { // try to increment m_i if (m_i + 1 < newNeighbors1.size()) { ++m_i; } else { continue; // this central bond doesn't work } } m_l = 0; // make sure that m_l doesn't point to atom1 if (newNeighbors2[m_l] == bondI.atom1().index()) { // try to increment m_l if (m_l + 1 < newNeighbors2.size()) { ++m_l; } else { continue; // this central bond doesn't work } } iIndex = newNeighbors1[m_i]; lIndex = newNeighbors2[m_l]; valid = true; break; } } // did we find anything? if (valid) { const Bond bond = m_mol->bond(m_jk); m_current = std::make_tuple(iIndex, bond.atom1().index(), bond.atom2().index(), lIndex); return m_current; } else return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); } // end ++ operator } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/dihedraliterator.h000066400000000000000000000022201516317240700257170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_DIHEDRALITERATOR_H #define AVOGADRO_CORE_DIHEDRALITERATOR_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { class Molecule; using Dihedral = std::tuple; class AVOGADROCORE_EXPORT DihedralIterator { public: /** * Constructor. */ DihedralIterator(const Molecule* mol); ~DihedralIterator() = default; Dihedral* operator*() { return &m_current; } Dihedral begin(); Dihedral end() const { return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); } Dihedral operator++(); bool operator!=(const DihedralIterator& other) { return m_current != other.m_current; } private: Dihedral m_current; Index m_i, m_jk, m_l; const Molecule* m_mol; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_DIHEDRALITERATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/elementdata.h000066400000000000000000000473551516317240700246760ustar00rootroot00000000000000#ifndef AVOGADRO_CORE_ELEMENTS_DATA #define AVOGADRO_CORE_ELEMENTS_DATA #include "elements.h" #include using isotope = std::pair; namespace Avogadro::Core { const char* const element_symbols[element_count] = { "Xx", "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og" }; const char* const element_names[element_count] = { "Dummy", "Hydrogen", "Helium", "Lithium", "Beryllium", "Boron", "Carbon", "Nitrogen", "Oxygen", "Fluorine", "Neon", "Sodium", "Magnesium", "Aluminium", "Silicon", "Phosphorus", "Sulfur", "Chlorine", "Argon", "Potassium", "Calcium", "Scandium", "Titanium", "Vanadium", "Chromium", "Manganese", "Iron", "Cobalt", "Nickel", "Copper", "Zinc", "Gallium", "Germanium", "Arsenic", "Selenium", "Bromine", "Krypton", "Rubidium", "Strontium", "Yttrium", "Zirconium", "Niobium", "Molybdenum", "Technetium", "Ruthenium", "Rhodium", "Palladium", "Silver", "Cadmium", "Indium", "Tin", "Antimony", "Tellurium", "Iodine", "Xenon", "Caesium", "Barium", "Lanthanum", "Cerium", "Praseodymium", "Neodymium", "Promethium", "Samarium", "Europium", "Gadolinium", "Terbium", "Dysprosium", "Holmium", "Erbium", "Thulium", "Ytterbium", "Lutetium", "Hafnium", "Tantalum", "Tungsten", "Rhenium", "Osmium", "Iridium", "Platinum", "Gold", "Mercury", "Thallium", "Lead", "Bismuth", "Polonium", "Astatine", "Radon", "Francium", "Radium", "Actinium", "Thorium", "Protactinium", "Uranium", "Neptunium", "Plutonium", "Americium", "Curium", "Berkelium", "Californium", "Einsteinium", "Fermium", "Mendelevium", "Nobelium", "Lawrencium", "Rutherfordium", "Dubnium", "Seaborgium", "Bohrium", "Hassium", "Meitnerium", "Darmstadtium", "Roentgenium", "Copernicium", "Nihonium", "Flerovium", "Moscovium", "Livermorium", "Tennessine", "Oganesson" }; const double element_masses[element_count] = { // from IUPAC (2021 set) https://doi.org/10.1515/pac-2019-0603 // https://iupac.org/what-we-do/periodic-table-of-elements/ // https://iupac.qmul.ac.uk/AtWt/ // For Ar and Pb which are now ranges, we use the "abridged value" 0, 1.00784, 4.002602, 6.94, 9.012183, 10.81, 12.011, 14.007, 15.999, 18.998403, 20.1797, 22.989769, 24.305, 26.981538, 28.085, 30.973762, 32.06, 35.45, 39.94, 39.0983, 40.078, 44.955908, 47.867, 50.9415, 51.9961, 54.938043, 55.845, 58.933194, 58.6934, 63.546, 65.38, 69.723, 72.630, 74.921595, 78.971, 79.904, 83.798, 85.4678, 87.62, 88.90584, 91.224, 92.90637, 95.95, 97, 101.07, 102.90549, 106.42, 107.8682, 112.414, 114.818, 118.710, 121.760, 127.60, 126.90447, 131.293, 132.90447, 137.327, 138.90547, 140.116, 140.90766, 144.242, 145, 150.36, 151.964, 157.25, 158.92535, 162.500, 164.93033, 167.259, 168.93422, 173.045, 174.9668, 178.486, 180.94788, 183.84, 186.207, 190.23, 192.217, 195.084, 196.966570, 200.592, 204.38, 207.2, 208.9804, 209, 210, 222, 223, 226, 227, 232.0377, 231.0358, 238.02891, 237, 244, 243, 247, 247, 251, 252, 257, 258, 259, 262, 267, 270, 269, 270, 270, 278, 281, 281, 285, 286, 289, 289, 293, 293, 294 }; const unsigned char valence_electrons[element_count] = { // some of these are debatable, but are intended as a reasonable start 0, 1, 0, // He 1, 2, 3, 4, 5, 6, 7, 8, // Ne 1, 2, 3, 4, 5, 6, 7, 8, // Ar 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 5, 6, 7, 8, // Kr 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 5, 6, 7, 8, // Xe 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2 }; const double element_VDW[element_count] = { // From Alvarez doi: 10.1039/C3DT50599E // Dalton Trans., 2013,42, 8617-8636 // Dummy, 1st row 0.69, 1.2, 1.43, // 2nd row (Li..Ne) 2.12, 1.98, 1.91, 1.77, 1.66, 1.50, 1.46, 1.58, // 3rd row (Na .. Ar) 2.50, 2.51, 2.25, 2.19, 1.90, 1.89, 1.82, 1.83, // 4th row (K, Ca) 2.73, 2.62, // 1st row TM (Sc.. Zn) 2.58, 2.46, 2.42, 2.45, 2.45, 2.44, 2.40, 2.40, 2.38, 2.39, // 4th row p-block (Ga .. Kr) 2.32, 2.29, 1.88, 1.82, 1.86, 2.25, // 5th row Rb, Sr 3.21, 2.84, // 2nd row TM (Y .. Cd) 2.75, 2.52, 2.56, 2.45, 2.44, 2.46, 2.44, 2.15, 2.53, 2.49, // 5th row p-block (Sn .. Xe) 2.43, 2.42, 2.47, 1.99, 2.04, 2.06, // 6th row Cs, Ba 3.48, 3.03, // Lanthanides (La..Gd) 2.98, 2.88, 2.92, 2.95, 2.90, 2.87, 2.83, // Lanthanides (Tb..Yb) 2.79, 2.87, 2.81, 2.83, 2.79, 2.80, // 3rd row TM (Lu..Hg) 2.74, 2.63, 2.53, 2.57, 2.49, 2.48, 2.41, 2.29, 2.32, 2.45, // 6th row p-block (Tl.. Bi) // 2.5 is a default here 2.47, 2.60, 2.54, 2.5, 2.5, 2.5, // 7th row // 2.5 is a default here 2.5, 2.5, // Actinides 2.8, 2.93, 2.88, 2.71, 2.82, 2.81, 2.83, 3.05, 3.38, 3.05, 3., 3., 3., 3., // Trans-actinides 3., 3., 3., 3., 3., 3., 3., 3., 3., 3., // 7th row p-block 3., 3., 3., 3., 3., 3., 3., }; const double element_covalent[element_count] = { // From Pyykko doi: 10.1002/chem.200800987 // Dummy, 1st row 0.18, 0.32, 0.46, // 2nd row 1.33, 1.02, 0.85, 0.75, 0.71, 0.63, 0.64, 0.67, // 3rd row 1.55, 1.39, 1.26, 1.16, 1.11, 1.03, 0.99, 0.96, // 4th row K, Ca 1.96, 1.71, // 1st row TM (Sc.. Zn) 1.48, 1.36, 1.34, 1.22, 1.19, 1.16, 1.11, 1.10, 1.12, 1.18, // 4th row p-block (Ga..Kr) 1.24, 1.21, 1.21, 1.16, 1.14, 1.17, // 5th row Rb, Sr 2.10, 1.85, // 2nd row TM (Y..Cd) 1.63, 1.54, 1.47, 1.38, 1.28, 1.25, 1.25, 1.20, 1.28, 1.36, // 5th row p-block (In..Xe) 1.42, 1.40, 1.40, 1.36, 1.33, 1.31, // 6th row Cs, Ba 2.32, 1.96, // Lanthanides La..Gd 1.80, 1.63, 1.76, 1.74, 1.73, 1.72, 1.68, // Lanthanides Tb..Yb 1.69, 1.68, 1.67, 1.66, 1.65, 1.64, 1.70, // 3rd row TM (Lu..Hg) 1.62, 1.52, 1.46, 1.37, 1.31, 1.29, 1.22, 1.23, 1.24, 1.33, // 6th row p-block (Tl..Rn) 1.44, 1.44, 1.51, 1.45, 1.47, 1.42, // 7th row Fr, Ra 2.23, 2.01, // Actinides (Ac.. Am) 1.86, 1.75, 1.69, 1.70, 1.71, 1.72, 1.66, // Actinides (Cm..No) 1.66, 1.68, 1.68, 1.65, 1.67, 1.73, 1.76, // Trans-actinides 1.61, 1.57, 1.49, 1.43, 1.41, 1.34, 1.29, 1.28, 1.21, 1.22, 1.36, 1.43, 1.62, 1.75, 1.65, 1.57 }; const unsigned char element_color[element_count][3] = { // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // Changes - H is not completely white to add contrast on light backgrounds // - C is slightly darker (i.e. 50% gray - consistent with Avo1) // - F is bluer to add contrast with Cl (e.g. CFC compounds) // # Du # H # He { 17, 127, 178 }, { 240, 240, 240 }, { 217, 255, 255 }, { 204, 128, 255 }, // # Be, B, C, N { 194, 255, 0 }, { 255, 181, 181 }, { 127, 127, 127 }, { 48, 80, 255 }, // # O, F, Ne, Na { 255, 13, 13 }, { 178, 255, 255 }, { 178, 227, 245 }, { 171, 91, 242 }, // # Mg { 138, 255, 0 }, { 191, 166, 166 }, { 240, 200, 160 }, { 255, 128, 0 }, // # S { 255, 255, 48 }, { 31, 240, 31 }, { 128, 209, 227 }, { 143, 64, 212 }, // # Ca { 61, 255, 0 }, { 230, 230, 230 }, { 191, 194, 199 }, { 166, 166, 171 }, // # Cr { 138, 153, 199 }, { 156, 122, 199 }, { 224, 102, 51 }, { 240, 144, 160 }, // # Ni { 80, 208, 80 }, { 200, 128, 51 }, { 125, 128, 176 }, { 194, 143, 143 }, // # Ge { 102, 143, 143 }, { 189, 128, 227 }, { 255, 161, 0 }, { 166, 41, 41 }, // # Kr { 92, 184, 209 }, { 112, 46, 176 }, { 0, 255, 0 }, { 148, 255, 255 }, // # Zr { 148, 224, 224 }, { 115, 194, 201 }, { 84, 181, 181 }, { 59, 158, 158 }, // # Ru { 36, 143, 143 }, { 10, 125, 140 }, { 0, 105, 133 }, { 192, 192, 192 }, // # Cd { 255, 217, 143 }, { 166, 117, 115 }, { 102, 128, 128 }, { 158, 99, 181 }, // # Te { 211, 122, 0 }, { 148, 0, 148 }, { 66, 158, 176 }, { 87, 23, 143 }, // # Ba { 0, 201, 0 }, { 112, 212, 255 }, { 255, 255, 199 }, { 217, 255, 199 }, // # Nd { 199, 255, 199 }, { 163, 255, 199 }, { 143, 255, 199 }, { 97, 255, 199 }, // # Gd { 69, 255, 199 }, { 48, 255, 199 }, { 31, 255, 199 }, { 0, 255, 156 }, // # Er { 0, 230, 117 }, { 0, 212, 82 }, { 0, 191, 56 }, { 0, 171, 36 }, // # Hf { 77, 194, 255 }, { 77, 166, 255 }, { 33, 148, 214 }, { 38, 102, 150 }, // # Os { 38, 102, 150 }, { 23, 84, 135 }, { 208, 208, 224 }, { 255, 209, 35 }, // # Hg { 184, 194, 208 }, { 166, 84, 77 }, { 87, 89, 97 }, { 158, 79, 181 }, // # Po { 171, 92, 0 }, { 117, 79, 69 }, { 66, 130, 150 }, { 66, 0, 102 }, { 0, 124, 0 }, { 112, 170, 249 }, { 0, 186, 255 }, { 0, 160, 255 }, { 0, 142, 255 }, { 0, 127, 255 }, { 0, 107, 255 }, { 84, 91, 242 }, { 119, 91, 226 }, { 137, 79, 226 }, { 160, 53, 211 }, { 178, 30, 211 }, { 178, 30, 186 }, { 178, 12, 165 }, { 188, 12, 135 }, { 198, 0, 102 }, { 204, 0, 89 }, { 209, 0, 79 }, { 216, 0, 68 }, { 224, 0, 56 }, { 229, 0, 45 }, { 232, 0, 38 }, { 234, 0, 35 }, { 237, 0, 33 }, { 239, 0, 30 }, { 242, 0, 28 }, { 244, 0, 25 }, { 247, 0, 22 }, { 249, 0, 20 }, { 252, 0, 17 }, { 255, 0, 15 } }; // Note: Using const std::vector instead of constexpr std::initializer_list // because std::initializer_list doesn't own its backing storage, which causes // access violations on MSVC when the temporary arrays are not preserved. const std::vector isotopes[element_count] = { // Common isotopes for each element from NIST // https://www.nist.gov/pml/atomic-weights-and-isotopic-compositions-relative-atomic-masses // for elements with multiple isotopes, the most common is listed as isotope // 0 // clang-format off { {0, 0.0} }, { {0, 1.00782503223},{1, 1.00782503223}, {2, 2.01410177812}, {3, 3.0160492779} }, { {0, 4.00260325413},{3, 3.0160293201}, {4, 4.00260325413} }, { {0, 7.0160034366},{6, 6.0151228874}, {7, 7.0160034366} }, { {9, 9.012183065} }, { {0, 11.00930536},{10, 10.01293695}, {11, 11.00930536} }, { {0, 12.0},{12, 12.0}, {13, 13.00335483507}, {14, 14.0032419884} }, { {0, 14.00307400443},{14, 14.00307400443}, {15, 15.00010889888} }, { {0, 15.99491461957},{16, 15.99491461957}, {17, 16.9991317565}, {18, 17.99915961286} }, { {19, 18.99840316273} }, { {0, 19.9924401762},{20, 19.9924401762}, {21, 20.993846685}, {22, 21.991385114} }, { {23, 22.989769282} }, { {0, 23.985041697},{24, 23.985041697}, {25, 24.985836976}, {26, 25.982592968} }, { {27, 26.98153853} }, { {0, 27.97692653465},{28, 27.97692653465}, {29, 28.9764946649}, {30, 29.973770136} }, { {31, 30.97376199842} }, { {0, 31.9720711744},{32, 31.9720711744}, {33, 32.9714589098}, {34, 33.967867004}, {36, 35.96708071} }, { {0, 34.968852682},{35, 34.968852682}, {37, 36.965902602} }, { {0, 39.9623831237},{36, 35.967545105}, {38, 37.96273211}, {40, 39.9623831237} }, { {0, 38.9637064864},{39, 38.9637064864}, {40, 39.963998166}, {41, 40.9618252579} }, { {0, 39.962590863},{40, 39.962590863}, {42, 41.95861783}, {43, 42.95876644}, {44, 43.95548156}, {46, 45.953689}, {48, 47.95252276} }, { {45, 44.95590828} }, { {0, 47.94794198},{46, 45.95262772}, {47, 46.95175879}, {48, 47.94794198}, {49, 48.94786568}, {50, 49.94478689} }, { {0, 50.94395704},{50, 49.94715601}, {51, 50.94395704} }, { {0, 51.94050623},{50, 49.94604183}, {52, 51.94050623}, {53, 52.94064815}, {54, 53.93887916} }, { {55, 54.93804391} }, { {0, 55.93493633},{54, 53.93960899}, {56, 55.93493633}, {57, 56.93539284}, {58, 57.93327443} }, { {59, 58.93319429} }, { {0, 57.93534241},{58, 57.93534241}, {60, 59.93078588}, {61, 60.93105557}, {62, 61.92834537}, {64, 63.92796682} }, { {0, 62.92959772},{63, 62.92959772}, {65, 64.9277897} }, { {0, 63.92914201},{64, 63.92914201}, {66, 65.92603381}, {67, 66.92712775}, {68, 67.92484455}, {70, 69.9253192} }, { {0, 68.9255735},{69, 68.9255735}, {71, 70.92470258} }, { {0, 73.921177761},{70, 69.92424875}, {72, 71.922075826}, {73, 72.923458956}, {74, 73.921177761}, {76, 75.921402726} }, { {75, 74.92159457} }, { {0, 79.9165218},{74, 73.922475934}, {76, 75.919213704}, {77, 76.919914154}, {78, 77.91730928}, {80, 79.9165218}, {82, 81.9166995} }, { {0, 78.9183376},{79, 78.9183376}, {81, 80.9162897} }, { {0, 83.9114977282},{78, 77.92036494}, {80, 79.91637808}, {82, 81.91348273}, {83, 82.91412716}, {84, 83.9114977282}, {86, 85.9106106269} }, { {0, 84.9117897379},{85, 84.9117897379}, {87, 86.909180531} }, { {0, 87.9056125},{84, 83.9134191}, {86, 85.9092606}, {87, 86.9088775}, {88, 87.9056125} }, { {89, 88.9058403} }, { {0, 89.9046977},{90, 89.9046977}, {91, 90.9056396}, {92, 91.9050347}, {94, 93.9063108}, {96, 95.9082714} }, { {93, 92.906373} }, { {0, 97.90540482},{92, 91.90680796}, {94, 93.9050849}, {95, 94.90583877}, {96, 95.90467612}, {97, 96.90601812}, {98, 97.90540482}, {100, 99.9074718} }, { {0, 96.9063667},{97, 96.9063667}, {98, 97.9072124}, {99, 98.9062508} }, { {0, 101.9043441},{96, 95.90759025}, {98, 97.9052868}, {99, 98.9059341}, {100, 99.9042143}, {101, 100.9055769}, {102, 101.9043441}, {104, 103.9054275} }, { {103, 102.905498} }, { {0, 105.9034804},{102, 101.9056022}, {104, 103.9040305}, {105, 104.9050796}, {106, 105.9034804}, {108, 107.9038916}, {110, 109.9051722} }, { {0, 106.9050916},{107, 106.9050916}, {109, 108.9047553} }, { {0, 113.90336509},{106, 105.9064599}, {108, 107.9041834}, {110, 109.90300661}, {111, 110.90418287}, {112, 111.90276287}, {113, 112.90440813}, {114, 113.90336509}, {116, 115.90476315} }, { {0, 114.903878776},{113, 112.90406184}, {115, 114.903878776} }, { {0, 119.90220163},{112, 111.90482387}, {114, 113.9027827}, {115, 114.903344699}, {116, 115.9017428}, {117, 116.90295398}, {118, 117.90160657}, {119, 118.90331117}, {120, 119.90220163}, {122, 121.9034438}, {124, 123.9052766} }, { {0, 120.903812},{121, 120.903812}, {123, 122.9042132} }, { {0, 129.906222748},{120, 119.9040593}, {122, 121.9030435}, {123, 122.9042698}, {124, 123.9028171}, {125, 124.9044299}, {126, 125.9033109}, {128, 127.90446128}, {130, 129.906222748} }, { {127, 126.9044719} }, { {0, 131.9041550856},{124, 123.905892}, {126, 125.9042983}, {128, 127.903531}, {129, 128.9047808611}, {130, 129.903509349}, {131, 130.90508406}, {132, 131.9041550856}, {134, 133.90539466}, {136, 135.907214484} }, { {133, 132.905451961} }, { {0, 137.905247},{130, 129.9063207}, {132, 131.9050611}, {134, 133.90450818}, {135, 134.90568838}, {136, 135.90457573}, {137, 136.90582714}, {138, 137.905247} }, { {0, 138.9063563},{138, 137.9071149}, {139, 138.9063563} }, { {0, 139.9054431},{136, 135.90712921}, {138, 137.905991}, {140, 139.9054431}, {142, 141.9092504} }, { {141, 140.9076576} }, { {0, 141.907729},{142, 141.907729}, {143, 142.90982}, {144, 143.910093}, {145, 144.9125793}, {146, 145.9131226}, {148, 147.9168993}, {150, 149.9209022} }, { {0, 144.9127559},{145, 144.9127559}, {147, 146.915145} }, { {0, 151.9197397},{144, 143.9120065}, {147, 146.9149044}, {148, 147.9148292}, {149, 148.9171921}, {150, 149.9172829}, {152, 151.9197397}, {154, 153.9222169} }, { {0, 152.921238},{151, 150.9198578}, {153, 152.921238} }, { {0, 157.9241123},{152, 151.9197995}, {154, 153.9208741}, {155, 154.9226305}, {156, 155.9221312}, {157, 156.9239686}, {158, 157.9241123}, {160, 159.9270624} }, { {159, 158.9253547} }, { {0, 163.9291819},{156, 155.9242847}, {158, 157.9244159}, {160, 159.9252046}, {161, 160.9269405}, {162, 161.9268056}, {163, 162.9287383}, {164, 163.9291819} }, { {165, 164.9303288} }, { {0, 165.9302995},{162, 161.9287884}, {164, 163.9292088}, {166, 165.9302995}, {167, 166.9320546}, {168, 167.9323767}, {170, 169.9354702} }, { {169, 168.9342179} }, { {0, 173.9388664},{168, 167.9338896}, {170, 169.9347664}, {171, 170.9363302}, {172, 171.9363859}, {173, 172.9382151}, {174, 173.9388664}, {176, 175.9425764} }, { {0, 174.9407752},{175, 174.9407752}, {176, 175.9426897} }, { {0, 179.946557},{174, 173.9400461}, {176, 175.9414076}, {177, 176.9432277}, {178, 177.9437058}, {179, 178.9458232}, {180, 179.946557} }, { {0, 180.9479958},{180, 179.9474648}, {181, 180.9479958} }, { {0, 183.95093092},{180, 179.9467108}, {182, 181.94820394}, {183, 182.95022275}, {184, 183.95093092}, {186, 185.9543628} }, { {0, 186.9557501},{185, 184.9529545}, {187, 186.9557501} }, { {0, 191.961477},{184, 183.9524885}, {186, 185.953835}, {187, 186.9557474}, {188, 187.9558352}, {189, 188.9581442}, {190, 189.9584437}, {192, 191.961477} }, { {0, 192.9629216},{191, 190.9605893}, {193, 192.9629216} }, { {0, 194.9647917},{190, 189.9599297}, {192, 191.9610387}, {194, 193.9626809}, {195, 194.9647917}, {196, 195.96495209}, {198, 197.9678949} }, { {197, 196.96656879} }, { {0, 201.9706434},{196, 195.9658326}, {198, 197.9667686}, {199, 198.96828064}, {200, 199.96832659}, {201, 200.97030284}, {202, 201.9706434}, {204, 203.97349398} }, { {0, 204.9744278},{203, 202.9723446}, {205, 204.9744278} }, { {0, 207.9766525},{204, 203.973044}, {206, 205.9744657}, {207, 206.9758973}, {208, 207.9766525} }, { {209, 208.9803991} }, { {0, 208.9824308},{209, 208.9824308}, {210, 209.9828741} }, { {0, 209.9871479},{210, 209.9871479}, {211, 210.9874966} }, { {0, 210.9906011},{211, 210.9906011}, {220, 220.0113941}, {222, 222.0175782} }, { {223, 223.019736} }, { {0, 223.0185023},{223, 223.0185023}, {224, 224.020212}, {226, 226.0254103}, {228, 228.0310707} }, { {227, 227.0277523} }, { {0, 230.0331341},{230, 230.0331341}, {232, 232.0380558} }, { {231, 231.0358842} }, { {0, 233.0396355},{233, 233.0396355}, {234, 234.0409523}, {235, 235.0439301}, {236, 236.0455682}, {238, 238.0507884} }, { {0, 236.04657},{236, 236.04657}, {237, 237.0481736} }, { {0, 238.0495601},{238, 238.0495601}, {239, 239.0521636}, {240, 240.0538138}, {241, 241.0568517}, {242, 242.0587428}, {244, 244.0642053} }, { {0, 241.0568293},{241, 241.0568293}, {243, 243.0613813} }, { {0, 243.0613893},{243, 243.0613893}, {244, 244.0627528}, {245, 245.0654915}, {246, 246.0672238}, {247, 247.0703541}, {248, 248.0723499} }, { {0, 247.0703073},{247, 247.0703073}, {249, 249.0749877} }, { {0, 249.0748539},{249, 249.0748539}, {250, 250.0764062}, {251, 251.0795886}, {252, 252.0816272} }, { {252, 252.08298} }, { {257, 257.0951061} }, { {0, 258.0984315},{258, 258.0984315}, {260, 260.10365} }, { {259, 259.10103} }, { {262, 262.10961} }, { {267, 267.12179} }, { {268, 268.12567} }, { {271, 271.13393} }, { {272, 272.13826} }, { {270, 270.13429} }, { {276, 276.15159} }, { {281, 281.16451} }, { {280, 280.16514} }, { {285, 285.17712} }, { {284, 284.17873} }, { {289, 289.19042} }, { {288, 288.19274} }, { {293, 293.20449} }, { {292, 292.20746} }, { {294, 294.21392} }, // clang-format on }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/elements.cpp000066400000000000000000000165521516317240700245550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elements.h" #include "avogadrocore.h" #include "elementdata.h" #include "utilities.h" #include #include #include using Avogadro::Core::isCustomElement; namespace Avogadro::Core { // Handle custom element identifiers: namespace { const static std::string CustomElementSymbolPrefix = "X"; const static std::string CustomElementNamePrefix = "CustomElement_"; static std::vector CustomElementSymbols; static std::vector CustomElementNames; // Match carbon's radii static double CustomElementCovalentRadius = element_covalent[6]; static double CustomElementVDWRadius = element_VDW[6]; inline std::string encodeCustomElement(unsigned char atomicNumber) { std::string result; if (isCustomElement(atomicNumber)) { result.resize(2); unsigned char index = atomicNumber - Avogadro::CustomElementMin; result[0] = 'a' + static_cast(index / 26); result[1] = 'a' + static_cast(index % 26); } return result; } inline unsigned char decodeCustomElement(const std::string& str) { if (str.size() == 2) { if (str[0] >= 'a' && str[0] <= 'z' && str[1] >= 'a' && str[1] <= 'z') { return CustomElementMin + static_cast(str[0] - 'a') * 26 + static_cast(str[1] - 'a'); } } return Avogadro::InvalidElement; } inline unsigned char interpretCustomElementName(const std::string& name) { if (startsWith(name, CustomElementNamePrefix)) { const std::string number(name.substr(CustomElementNamePrefix.size())); return decodeCustomElement(number); } return InvalidElement; } inline std::string createCustomElementName(unsigned char atomicNumber) { return CustomElementNamePrefix + encodeCustomElement(atomicNumber); } inline const char* customElementName(unsigned char atomicNumber) { return CustomElementNames[atomicNumber - CustomElementMin].c_str(); } inline unsigned char interpretCustomElementSymbol(const std::string& symbol) { if (symbol.size() == 3) return decodeCustomElement(symbol.substr(1)); return InvalidElement; } inline std::string createCustomElementSymbol(unsigned char atomicNumber) { return CustomElementSymbolPrefix + encodeCustomElement(atomicNumber); } inline const char* customElementSymbol(unsigned char atomicNumber) { return CustomElementSymbols[atomicNumber - CustomElementMin].c_str(); } inline const unsigned char* customElementColor(unsigned char atomicNumber) { return Core::element_color[atomicNumber % element_count]; } // Initialize the static lookup tables. class InitializeCustomElementTables { public: InitializeCustomElementTables() { CustomElementSymbols.resize(CustomElementCount); CustomElementNames.resize(CustomElementCount); std::string suffix; for (unsigned char i = CustomElementMin; i <= CustomElementMax; ++i) { suffix = encodeCustomElement(i); CustomElementSymbols[i - CustomElementMin] = CustomElementSymbolPrefix + suffix; CustomElementNames[i - CustomElementMin] = CustomElementNamePrefix + suffix; } } } CustomElementTableInitializer; } // namespace unsigned char Elements::elementCount() { return element_count; } unsigned char Elements::atomicNumberFromName(const std::string& name) { for (unsigned char i = 0; i < element_count; ++i) if (name == element_names[i]) return i; return interpretCustomElementName(name); } unsigned char Elements::atomicNumberFromSymbol(const std::string& symbol) { if (symbol.length() == 1) { switch (symbol[0]) { case 'H': return 1; case 'B': return 5; case 'C': return 6; case 'N': return 7; case 'O': return 8; case 'F': return 9; case 'P': return 15; case 'S': return 16; case 'K': return 19; case 'V': return 23; case 'Y': return 39; case 'I': return 53; case 'W': return 74; case 'U': return 92; default: return InvalidElement; } } else { for (unsigned char i = 0; i < element_count; ++i) if (symbol == element_symbols[i]) return i; return interpretCustomElementSymbol(symbol); } } unsigned char Elements::guessAtomicNumber(const std::string& inputStr) { std::string str(trimmed(inputStr)); if (str.empty()) return InvalidElement; // atomic number? bool ok; int atomicNumberInt = lexicalCast(str, ok); if (ok) return static_cast(atomicNumberInt); // Format string as text std::transform(str.begin(), str.end(), str.begin(), tolower); str[0] = static_cast(toupper(static_cast(str[0]))); int length = str.size(); unsigned char atomicNumber = InvalidElement; while (length > 0) { if (length > 3) atomicNumber = atomicNumberFromName(str.substr(0, length)); else atomicNumber = atomicNumberFromSymbol(str.substr(0, length)); if (atomicNumber != InvalidElement) break; length--; } return atomicNumber; } const char* Elements::name(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_names[atomicNumber]; else if (isCustomElement(atomicNumber)) return customElementName(atomicNumber); else return element_names[0]; } const char* Elements::symbol(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_symbols[atomicNumber]; else if (isCustomElement(atomicNumber)) return customElementSymbol(atomicNumber); else return element_symbols[0]; } double Elements::mass(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_masses[atomicNumber]; else return element_masses[0]; } double Elements::radiusVDW(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_VDW[atomicNumber]; else if (isCustomElement(atomicNumber)) return CustomElementVDWRadius; else return element_VDW[0]; } double Elements::radiusCovalent(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_covalent[atomicNumber]; else if (isCustomElement(atomicNumber)) return CustomElementCovalentRadius; else return element_covalent[0]; } const unsigned char* Elements::color(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_color[atomicNumber]; else if (isCustomElement(atomicNumber)) return customElementColor(atomicNumber); else return element_color[0]; } unsigned char Elements::valenceElectrons(unsigned char atomicNumber) { if (atomicNumber < element_count) return valence_electrons[atomicNumber]; else return valence_electrons[0]; } double Elements::isotopeMass(unsigned char atomicNumber, unsigned short isotope) { if (atomicNumber >= element_count) return 0.0; // also handles element zero const auto& list = isotopes[atomicNumber]; // if there's only one isotope, return its mass if (list.size() == 1) return list.begin()->second; // find the isotope for (auto&& [i, mass] : list) { if (i == isotope) return mass; } return 0.0; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/elements.h000066400000000000000000000101031516317240700242040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ELEMENTS_H #define AVOGADRO_CORE_ELEMENTS_H #include "avogadrocoreexport.h" #include namespace Avogadro::Core { constexpr unsigned char element_count = 119; //!< from 0 to 118 /** * @class Elements elements.h * @brief The Elements class stores basic data about chemical elements. * * The elements class gives a simple interface to basic data about chemical * elements. * * The atomic numbers between the symbolic constants CustomElementMin and * CustomElementMax are used to represent non-elemental entities, such as * particles or structures units from MD simulations. Custom elements names and * symbols are returned as name="CustomElement_aa" and symbol="Xaa", where 'aa' * is some combination of lowercase letters that is unique to the particular * custom element atomic number. For all custom elements, the radii will match * Carbon, the color is random (but consistent), and the mass is zero. */ class AVOGADROCORE_EXPORT Elements { public: Elements() = default; ~Elements() = default; /** @return the number of elements in the database. */ static unsigned char elementCount(); /** * @return the atomic number from the supplied element @p name. If the name is * not recognised then Avogadro::InvalidElement will be returned. 0 represents * the dummy atom ("Dummy"). * @note The input string is expected to be lowercase with the first letter * capitalized. */ static unsigned char atomicNumberFromName(const std::string& name); /** * @return the atomic number from the supplied @p symbol. If the symbol is not * recognised then Avogadro::InvalidElement will be returned. 0 represents the * dummy atom ("Xx"). * @note The input string is expected to be lowercase with the first letter * capitalized. */ static unsigned char atomicNumberFromSymbol(const std::string& symbol); /** * Given a string @p str, attempt to identify an element symbol, name, or * atomic number. This method is slower and less reliable than the * atomicNumberFrom*() methods, and is only intended for making an initial * guess of user input. * @return the atomic number that best matches the string, or InvalidElement * if no match can be made. */ static unsigned char guessAtomicNumber(const std::string& str); /** @return the name of the element with the supplied @p atomicNumber. */ static const char* name(unsigned char atomicNumber); /** @return the symbol of the element with the supplied @p atomicNumber. */ static const char* symbol(unsigned char atomicNumber); /** @return the mass of the element with the supplied @p atomicNumber. */ static double mass(unsigned char atomicNumber); /** * @return the Van der Waals radius of the element with the supplied * @p atomicNumber. */ static double radiusVDW(unsigned char atomicNumber); /** @return the covalent radius of the element with the supplied * @p atomicNumber. */ static double radiusCovalent(unsigned char atomicNumber); /** * @return the default color of the element with the supplied @p atomicNumber. * This is a pointer to a static three component unsigned char color. */ static const unsigned char* color(unsigned char atomicNumber); /** @return the number of valence electrons for the supplied @p atomicNumber */ static unsigned char valenceElectrons(unsigned char atomicNumber); /** * @return the mass of the element with the supplied @p atomicNumber and * isotope @p isotopeNumber. * @param atomicNumber The atomic number of the element. * @param isotopeNumber The isotope number of the element. */ static double isotopeMass(unsigned char atomicNumber, unsigned short isotopeNumber); }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ELEMENTS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/gaussianset.cpp000066400000000000000000000513441516317240700252650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussianset.h" #include "molecule.h" #include #include using std::cout; using std::endl; using std::vector; namespace Avogadro::Core { GaussianSet::GaussianSet() : m_numMOs(0), m_init(false), m_scfType(Rhf) {} unsigned int GaussianSet::addBasis(unsigned int atom, orbital type) { // Count the number of independent basis functions switch (type) { case S: ++m_numMOs; break; case P: m_numMOs += 3; break; case SP: m_numMOs += 4; break; case D: m_numMOs += 6; break; case D5: m_numMOs += 5; break; case F: m_numMOs += 10; break; case F7: m_numMOs += 7; break; case G: m_numMOs += 15; break; case G9: m_numMOs += 9; break; case H: m_numMOs += 21; break; case H11: m_numMOs += 11; break; case I: m_numMOs += 28; break; case I13: m_numMOs += 13; break; default: // Should never hit here ; } m_init = false; // Add to the new data structure, delete the old soon m_symmetry.push_back(type); m_atomIndices.push_back(atom); return static_cast(m_symmetry.size() - 1); } unsigned int GaussianSet::addGto(unsigned int basis, double c, double a) { if (m_gtoIndices.size() == basis) { m_gtoIndices.push_back(static_cast(m_gtoA.size())); } else if (m_gtoIndices.size() < basis) { cout << "Error, attempted to add a GTO for a basis too early. GTOs must be " << "added in order to ensure correct indexing.\n"; return 69696969; } m_gtoA.push_back(a); m_gtoC.push_back(c); return static_cast(m_gtoA.size() - 1); } void GaussianSet::setMolecularOrbitals(const vector& MOs, ElectronType type) { if (!m_numMOs) return; m_init = false; size_t index(0); if (type == Beta) index = 1; // Some programs don't output all MOs, so we take the amount of data // and divide by the number of atomic orbital functions. unsigned int columns = static_cast(MOs.size()) / m_numMOs; // cout << " Add MOs: " << m_numMOs << columns << endl; m_moMatrix[index].resize(m_numMOs, columns); for (unsigned int j = 0; j < columns; ++j) for (unsigned int i = 0; i < m_numMOs; ++i) m_moMatrix[index].coeffRef(i, j) = MOs[i + j * m_numMOs]; } void GaussianSet::setMolecularOrbitals(const vector& MOs, ElectronType type, Index idx) { if (!m_numMOs) return; size_t index = 0; if (type == Beta) index = 1; unsigned int columns = static_cast(MOs.size()) / m_numMOs; MatrixX moMatrix; moMatrix.resize(m_numMOs, columns); for (unsigned int j = 0; j < columns; ++j) for (unsigned int i = 0; i < m_numMOs; ++i) moMatrix.coeffRef(i, j) = MOs[i + j * m_numMOs]; if (idx <= m_moMatrixSet[index].size()) m_moMatrixSet[index].resize(idx + 1); m_moMatrixSet[index][idx] = moMatrix; } bool GaussianSet::setActiveSetStep(int index) { if (index >= static_cast(m_moMatrixSet[0].size()) || index >= static_cast(m_moMatrixSet[1].size())) { return false; } if (index >= m_molecule->coordinate3dCount()) return false; m_moMatrix[0] = m_moMatrixSet[0][index]; m_moMatrix[1] = m_moMatrixSet[1][index]; m_molecule->setCoordinate3d(index); return true; } void GaussianSet::setMolecularOrbitalNumber(const vector& nums, ElectronType type) { if (type == Beta) m_moNumber[1] = nums; else m_moNumber[0] = nums; } bool GaussianSet::setDensityMatrix(const MatrixX& m) { m_density.resize(m.rows(), m.cols()); m_density = m; return true; } bool GaussianSet::setSpinDensityMatrix(const MatrixX& m) { m_spinDensity.resize(m.rows(), m.cols()); m_spinDensity = m; return true; } unsigned int GaussianSet::molecularOrbitalCount(ElectronType type) const { size_t index(0); if (type == Beta) index = 1; return static_cast(m_moMatrix[index].rows()); } void GaussianSet::outputAll(ElectronType type) { size_t index(0); if (type == Beta) index = 1; // Can be called to print out a summary of the basis set as read in auto numAtoms = static_cast(m_molecule->atomCount()); cout << "\nGaussian Basis Set\nNumber of atoms:" << numAtoms << endl; switch (m_scfType) { case Rhf: cout << "RHF orbitals" << endl; break; case Uhf: cout << "UHF orbitals" << endl; break; case Rohf: cout << "ROHF orbitals" << endl; break; default: cout << "Unknown orbitals" << endl; } initCalculation(); cout << "Number of electrons = " << m_electrons[index] << endl; if (!isValid()) { cout << "Basis set is marked as invalid." << endl; return; } for (size_t i = 0; i < m_symmetry.size(); ++i) { cout << i << "\tAtom Index: " << m_atomIndices[i] << "\tSymmetry: " << m_symmetry[i] << "\tMO Index: " << m_moIndices[i] << "\tGTO Index: " << m_gtoIndices[i] << endl; } cout << "Symmetry: " << m_symmetry.size() << "\tgtoIndices: " << m_gtoIndices.size() << "\tLast gtoIndex: " << m_gtoIndices[m_symmetry.size()] << "\ngto size: " << m_gtoA.size() << " " << m_gtoC.size() << " " << m_gtoCN.size() << endl; for (size_t i = 0; i < m_symmetry.size(); ++i) { switch (m_symmetry[i]) { case S: cout << "Shell " << i << "\tS\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](m_moIndices[i], 0) << endl; break; case P: cout << "Shell " << i << "\tP\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 1) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 2) << endl; break; case D: cout << "Shell " << i << "\tD\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 1) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 2) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 3) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 4) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 5) << endl; break; case D5: cout << "Shell " << i << "\tD5\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 1) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 2) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 3) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 4) << endl; break; case F: cout << "Shell " << i << "\tF\n MO 1"; for (short j = 0; j < 10; ++j) cout << "\t" << m_moMatrix[index](0, m_moIndices[i] + j); cout << endl; break; case F7: cout << "Shell " << i << "\tF7\n MO 1"; for (short j = 0; j < 7; ++j) cout << "\t" << m_moMatrix[index](0, m_moIndices[i] + j); cout << endl; break; default: cout << "Error: unhandled type...\n"; } unsigned int cIndex = m_gtoIndices[i]; for (size_t j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { if (j >= m_gtoA.size()) { cout << "Error, j is too large!" << j << m_gtoA.size() << endl; continue; } cout << cIndex << "\tc: " << m_gtoC[cIndex] << "\ta: " << m_gtoA[cIndex] << endl; ++cIndex; } } cout << "\nEnd of orbital data...\n"; } bool GaussianSet::isValid() { // TODO: Something useful here again - check the basis set makes sense... return true; } void GaussianSet::initCalculation() { if (m_init) return; // This currently just involves normalising all contraction coefficients m_gtoCN.clear(); // Initialise the new data structures that are hopefully more efficient unsigned int indexMO = 0; unsigned int skip = 0; // for unimplemented shells m_moIndices.resize(m_symmetry.size()); // Add a final entry to the gtoIndices m_gtoIndices.push_back(static_cast(m_gtoA.size())); for (unsigned int i = 0; i < m_symmetry.size(); ++i) { switch (m_symmetry[i]) { case S: m_moIndices[i] = indexMO++; m_cIndices.push_back(static_cast(m_gtoCN.size())); // Normalization of the S-type orbitals (normalization used in JMol) // (8 * alpha^3 / pi^3)^0.25 * exp(-alpha * r^2) for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 0.75) * 0.71270547); } break; case P: m_moIndices[i] = indexMO; indexMO += 3; m_cIndices.push_back(static_cast(m_gtoCN.size())); // Normalization of the P-type orbitals (normalization used in JMol) // (128 alpha^5 / pi^3)^0.25 * [x|y|z]exp(-alpha * r^2) for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 1.25) * 1.425410941); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoCN.back()); } break; case D: // Cartesian - 6 d components // Order in xx, yy, zz, xy, xz, yz m_moIndices[i] = indexMO; indexMO += 6; m_cIndices.push_back(static_cast(m_gtoCN.size())); // Normalization of the P-type orbitals (normalization used in JMol) // xx|yy|zz: (2048 alpha^7/9pi^3)^0.25 [xx|yy|zz]exp(-alpha r^2) // xy|xz|yz: (2048 alpha^7/pi^3)^0.25 [xy|xz|yz]exp(-alpha r^2) for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 1.75) * 1.645922781); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 1.75) * 2.850821881); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoCN.back()); } break; case D5: // Spherical - 5 d components // Order in d0, d+1, d-1, d+2, d-2 // Form d(z^2-r^2), dxz, dyz, d(x^2-y^2), dxy m_moIndices[i] = indexMO; indexMO += 5; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back( m_gtoC[j] * pow(2048 * pow(m_gtoA[j], 7.0) / (9.0 * M_PI * M_PI * M_PI), 0.25)); m_gtoCN.push_back( m_gtoC[j] * pow(2048 * pow(m_gtoA[j], 7.0) / (M_PI * M_PI * M_PI), 0.25)); m_gtoCN.push_back(m_gtoCN.back()); // I think this is correct but really need to check... m_gtoCN.push_back( m_gtoC[j] * pow(128 * pow(m_gtoA[j], 7.0) / (M_PI * M_PI * M_PI), 0.25)); m_gtoCN.push_back( m_gtoC[j] * pow(2048 * pow(m_gtoA[j], 7.0) / (M_PI * M_PI * M_PI), 0.25)); } break; case F: /* Thanks, Jmol Cartesian forms for f (l = 3) basis functions: Type Normalization xxx [(32768 * alpha^9) / (225 * pi^3))]^(1/4) xxy [(32768 * alpha^9) / (9 * pi^3))]^(1/4) xxz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) xyy [(32768 * alpha^9) / (9 * pi^3))]^(1/4) xyz [(32768 * alpha^9) / (1 * pi^3))]^(1/4) xzz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) yyy [(32768 * alpha^9) / (225 * pi^3))]^(1/4) yyz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) yzz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) zzz [(32768 * alpha^9) / (225 * pi^3))]^(1/4) Thank you, Python pi = 3.141592653589793 (32768./225./(pi**3.))**(0.25) = 1.4721580892990938 (32768./9./(pi**3.))**(0.25) = 3.291845561298979 (32768./(pi**3.))**(0.25) = 5.701643762839922 */ { double norm1 = 1.4721580892990938; double norm2 = 3.291845561298979; double norm3 = 5.701643762839922; m_moIndices[i] = indexMO; indexMO += 10; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm1); // xxx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xxy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xxz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm3); // xyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm1); // yyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // yyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // yzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm1); // zzz } } break; case F7: { // m-independent normalization factor // math.sqrt(2.**(3.+3./2.))/(math.pi**(3./4.))*math.sqrt(2.**3. / 15.) // same as norm1 above. double norm = 1.4721580892990935; m_moIndices[i] = indexMO; indexMO += 7; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); // 0 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //+1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //-1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //+2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //-2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //+3 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //-3 } } break; case G: { // 16 * (2.0/pi)^0.75 double norm = 11.403287525679843; double norm1 = norm / sqrt(7.0); double norm2 = norm / sqrt(35.0 / 3.0); double norm3 = norm / sqrt(35.0); m_moIndices[i] = indexMO; indexMO += 15; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { // molden order // xxxx yyyy zzzz xxxy xxxz yyyx yyyz zzzx zzzy, // xxyy xxzz yyzz xxyz yyxz zzxy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // xxxx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // yyyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // zzzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // xxxy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // xxxz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // yyyx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // yyyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // zzzx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // zzzy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm2); // xxyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm2); // xxzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm2); // yyzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm3); // xxyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm3); // yyxz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm3); // zzxy } } break; case G9: { // 16 * (2.0/pi)^0.75 double norm = 11.403287525679843; m_moIndices[i] = indexMO; indexMO += 9; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // 0 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+3 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-3 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+4 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-4 } } break; case H: skip = 21; break; case H11: skip = 11; break; case I: skip = 28; break; case I13: skip = 13; break; default: cout << "Basis set not handled - results may be incorrect.\n"; } if (skip) { cout << "Basis set not handled - results may be incorrect.\n"; m_moIndices[i] = indexMO; indexMO += skip; m_cIndices.push_back(static_cast(m_gtoCN.size())); skip = 0; } } m_init = true; } bool GaussianSet::generateDensityMatrix() { if (m_scfType == Unknown) return false; if (m_moMatrix[0].size() == 0) return false; // check if it's Rohf or Uhf too if (m_scfType != Rhf && m_moMatrix[1].size() == 0) return false; m_density.resize(m_numMOs, m_numMOs); m_density = MatrixX::Zero(m_numMOs, m_numMOs); for (unsigned int iBasis = 0; iBasis < m_numMOs; ++iBasis) { for (unsigned int jBasis = 0; jBasis <= iBasis; ++jBasis) { switch (m_scfType) { case Rhf: for (unsigned int iMO = 0; iMO < m_electrons[0] / 2; ++iMO) { double icoeff = m_moMatrix[0](iBasis, iMO); double jcoeff = m_moMatrix[0](jBasis, iMO); m_density(jBasis, iBasis) += 2.0 * icoeff * jcoeff; m_density(iBasis, jBasis) = m_density(jBasis, iBasis); } // cout << iBasis << ", " << jBasis << ": " << // m_density(iBasis, jBasis) // << endl; break; case Rohf: // ROHF is handled similarly to UHF case Uhf: for (unsigned int iaMO = 0; iaMO < m_electrons[0]; ++iaMO) { double icoeff = m_moMatrix[0](iBasis, iaMO); double jcoeff = m_moMatrix[0](jBasis, iaMO); m_density(jBasis, iBasis) += icoeff * jcoeff; m_density(iBasis, jBasis) = m_density(jBasis, iBasis); } for (unsigned int ibMO = 0; ibMO < m_electrons[1]; ibMO++) { double icoeff = m_moMatrix[1](iBasis, ibMO); double jcoeff = m_moMatrix[1](jBasis, ibMO); m_density(jBasis, iBasis) += icoeff * jcoeff; m_density(iBasis, jBasis) = m_density(jBasis, iBasis); } // cout << iBasis << ", " << jBasis << ": " << // m_density(iBasis, jBasis) // << endl; break; default: cout << "Unhandled scf type:" << m_scfType << endl; } } } return true; } bool GaussianSet::generateSpinDensityMatrix() { if (m_scfType != Uhf) return false; m_spinDensity.resize(m_numMOs, m_numMOs); m_spinDensity = MatrixX::Zero(m_numMOs, m_numMOs); for (unsigned int iBasis = 0; iBasis < m_numMOs; ++iBasis) { for (unsigned int jBasis = 0; jBasis <= iBasis; ++jBasis) { for (unsigned int iaMO = 0; iaMO < m_electrons[0]; ++iaMO) { double icoeff = m_moMatrix[0](iBasis, iaMO); double jcoeff = m_moMatrix[0](jBasis, iaMO); m_spinDensity(jBasis, iBasis) += icoeff * jcoeff; m_spinDensity(iBasis, jBasis) = m_spinDensity(jBasis, iBasis); } for (unsigned int ibMO = 0; ibMO < m_electrons[1]; ++ibMO) { double icoeff = m_moMatrix[1](iBasis, ibMO); double jcoeff = m_moMatrix[1](jBasis, ibMO); m_spinDensity(jBasis, iBasis) -= icoeff * jcoeff; m_spinDensity(iBasis, jBasis) = m_spinDensity(jBasis, iBasis); } cout << iBasis << ", " << jBasis << ": " << m_spinDensity(iBasis, jBasis) << endl; } } return true; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/gaussianset.h000066400000000000000000000220711516317240700247250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_GAUSSIANSET_H #define AVOGADRO_CORE_GAUSSIANSET_H #include "avogadrocoreexport.h" #include "basisset.h" #include #include #include namespace Avogadro::Core { /** * Enumeration of the SCF type. */ enum ScfType { Rhf, Uhf, Rohf, Unknown }; /** * @class GaussianSet gaussianset.h * @brief A container for Gaussian type outputs from QM codes. * @author Marcus D. Hanwell * * The GaussianSet class has a transparent data structure for storing the basis * sets output by many quantum mechanical codes. It has a certain hierarchy * where shells are built up from n primitives, in this case Gaussian Type * Orbitals (GTOs). Each shell has a type (S, P, D, F, etc) and is composed of * one or more GTOs. Each GTO has a contraction coefficient, c, and an exponent, * a. * * When calculating Molecular Orbitals (MOs) each orthogonal shell has an * independent coefficient. That is the S type orbitals have one coefficient, * the P type orbitals have three coefficients (Px, Py and Pz), the D type * orbitals have five (or six if cartesian types) coefficients, and so on. */ class AVOGADROCORE_EXPORT GaussianSet : public BasisSet { public: /** * Constructor. */ GaussianSet(); /** * Destructor. */ ~GaussianSet() override = default; /** * Clone. */ GaussianSet* clone() const override { return new GaussianSet(*this); } /** * Enumeration of the Gaussian type orbitals. */ enum orbital { S, SP, P, D, D5, F, F7, G, G9, H, H11, I, I13, UU }; /** * Add a basis to the basis set. * @param atom Index of the atom to add the Basis to. * @param type The type of the Basis being added. * @return The index of the added Basis. */ unsigned int addBasis(unsigned int atom, orbital type); /** * Add a GTO to the supplied basis. * @param basis The index of the Basis to add the GTO to. * @param c The contraction coefficient of the GTO. * @param a The exponent of the GTO. * @return The index of the added GTO. */ unsigned int addGto(unsigned int basis, double c, double a); /** * Set the molecular orbital (MO) coefficients to the GaussianSet. * @param MOs Vector containing the MO coefficients for the GaussianSet. * @param type The type of the MOs (Paired, Alpha, Beta). */ void setMolecularOrbitals(const std::vector& MOs, ElectronType type = Paired); /** * Set the molecular orbital (MO) coefficients for a given index. Note * that this must be used with coordinate sets to work correctly. * @param MOs Vector containing the MO coefficients for the GaussianSet. * @param type The type of the MOs (Paired, Alpha, Beta). * @param index The index of the MO in the sequence. */ void setMolecularOrbitals(const std::vector& MOs, ElectronType type, Index index); /** * Get the number of elements in the set. */ int setCount() { return static_cast(m_moMatrixSet[0].size()); } /** * Set the active element in the set, this expects a corresponding * coordinate set element, and will change the active MO matrix. */ bool setActiveSetStep(int index); /** * @brief This enables support of sparse orbital sets, and provides a mapping * from the index in memory to the actual molecular orbital number. * @param nums The MO numbers (starting with an index of 1 for the first one). * @param type The MO type (Paired, Alpha, Beta). */ void setMolecularOrbitalNumber(const std::vector& nums, ElectronType type = Paired); /** * Set the SCF density matrix for the GaussianSet. */ bool setDensityMatrix(const MatrixX& m); /** * Set the spin density matrix for the GaussianSet. */ bool setSpinDensityMatrix(const MatrixX& m); /** * @brief Generate the density matrix if we have the required information. * @return True on success, false on failure. */ bool generateDensityMatrix(); /** * @brief Generate the spin density matrix if we have the required * information. * @return True on success, false on failure. */ bool generateSpinDensityMatrix(); /** * @return The number of molecular orbitals in the GaussianSet. */ unsigned int molecularOrbitalCount(ElectronType type = Paired) const override; /** * Debug routine, outputs all of the data in the GaussianSet. * @param type The electrons to output the information for. */ void outputAll(ElectronType type = Paired); /** * @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */ bool isValid() override; /** * Set the SCF type for the object. */ void setScfType(ScfType type) { m_scfType = type; } /** * Get the SCF type for the object. */ ScfType scfType() const { return m_scfType; } /** * Set the functional name (if applicable). */ void setFunctionalName(const std::string& name) { m_functionalName = name; } /** * Get the functional name (empty if none used). */ std::string functionalName() const { return m_functionalName; } /** * Initialize the calculation, this must normally be done before anything. */ void initCalculation(); /** * Accessors for the various properties of the GaussianSet. */ std::vector& symmetry() { return m_symmetry; } std::vector symmetry() const { return m_symmetry; } std::vector& atomIndices() { return m_atomIndices; } std::vector atomIndices() const { return m_atomIndices; } std::vector& moIndices() { return m_moIndices; } std::vector moIndices() const { return m_moIndices; } std::vector& gtoIndices() { return m_gtoIndices; } std::vector gtoIndices() const { return m_gtoIndices; } std::vector& cIndices() { return m_cIndices; } std::vector cIndices() const { return m_cIndices; } std::vector& gtoA() { return m_gtoA; } std::vector gtoA() const { return m_gtoA; } std::vector& gtoC() { return m_gtoC; } std::vector gtoC() const { return m_gtoC; } std::vector& gtoCN() { initCalculation(); return m_gtoCN; } MatrixX& moMatrix(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moMatrix[0]; else return m_moMatrix[1]; } MatrixX moMatrix(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moMatrix[0]; else return m_moMatrix[1]; } std::vector& moNumber(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moNumber[0]; else return m_moNumber[1]; } std::vector moNumber(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moNumber[0]; else return m_moNumber[1]; } MatrixX& densityMatrix() { return m_density; } MatrixX& spinDensityMatrix() { return m_spinDensity; } private: /** * @brief This group is used once, and refers to the entire molecule. */ std::vector m_symmetry; //! Symmetry of the basis, S, P... std::vector m_atomIndices; //! Indices into the atomPos vector std::vector m_moIndices; //! Indices into the MO/density matrix std::vector m_gtoIndices; //! Indices into the GTO vector std::vector m_cIndices; //! Indices into m_gtoCN std::vector m_gtoA; //! The GTO exponent std::vector m_gtoC; //! The GTO contraction coefficient std::vector m_gtoCN; //! The GTO contraction coefficient (normalized) /** * @brief This block can be once (doubly) or in two parts (alpha and beta) for * open shell calculations. */ MatrixX m_moMatrix[2]; //! MO coefficient matrix /** * @brief If there are a sequence of related MOs, they are stored here, and * set as the active MOs upon demand. Alpha will store Paired or the Alpha, * Beta will store Beta coefficients for the appropriate calculation types. */ std::vector m_moMatrixSet[2]; /** * @brief This stores the molecular orbital number (when they are sparse). It * is used to lookup the actual index of the molecular orbital data. */ std::vector m_moNumber[2]; MatrixX m_density; //! Density matrix MatrixX m_spinDensity; //! Spin Density matrix unsigned int m_numMOs; //! The number of GTOs (not always!) bool m_init; //! Has the calculation been initialised? ScfType m_scfType; std::string m_functionalName; }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/gaussiansettools.cpp000066400000000000000000000530301516317240700263400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussiansettools.h" #include "cube.h" #include "gaussianset.h" #include "molecule.h" #include using std::vector; namespace Avogadro::Core { GaussianSetTools::GaussianSetTools(Molecule* mol) : m_molecule(mol) { if (m_molecule) { m_basis = dynamic_cast(m_molecule->basisSet()); m_cutoffDistances.resize(7, 0.0); // s, p, d, f, g, h, i (for now) // Pre-compute atom positions in Bohr as 3 x N matrix for vectorized ops Index atomsSize = m_molecule->atomCount(); m_atomPositionsBohr.resize(3, atomsSize); for (Index i = 0; i < atomsSize; ++i) { m_atomPositionsBohr.col(i) = m_molecule->atom(i).position3d() * ANGSTROM_TO_BOHR; } // Initialize the basis set calculation once (normalizes coefficients, etc.) // This avoids repeated initCalculation() calls in calculateValues() if (m_basis) { m_basis->initCalculation(); // Pre-compute cutoff distances to ignore v. small exp(-alpha * r^2) terms calculateCutoffs(); } } } bool GaussianSetTools::calculateMolecularOrbital(Cube& cube, int moNumber) const { for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateMolecularOrbital(pos, moNumber)); } return true; } double GaussianSetTools::calculateMolecularOrbital(const Vector3& position, int mo) const { if (mo > static_cast(m_basis->molecularOrbitalCount())) return 0.0; Eigen::VectorXd values; calculateValues(position, values); const MatrixX& matrix = m_basis->moMatrix(m_type); // Use Eigen's optimized dot product return matrix.col(mo).dot(values); } bool GaussianSetTools::calculateElectronDensity(Cube& cube) const { const MatrixX& matrix = m_basis->densityMatrix(); if (matrix.rows() == 0 || matrix.cols() == 0) { // we don't have a density matrix, so generate one m_basis->generateDensityMatrix(); } for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateElectronDensity(pos)); } return true; } double GaussianSetTools::calculateElectronDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->densityMatrix(); int matrixSize(static_cast(m_basis->moMatrix().rows())); if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) { return 0.0; } Eigen::VectorXd values; calculateValues(position, values); // Compute the quadratic form: v^T * D * v // The density matrix is symmetric, so we can use the full matrix multiply return values.dot(matrix * values); } bool GaussianSetTools::calculateSpinDensity(Cube& cube) const { for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateSpinDensity(pos)); } return true; } double GaussianSetTools::calculateSpinDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->spinDensityMatrix(); int matrixSize(static_cast(m_basis->moMatrix().rows())); if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) { return 0.0; } Eigen::VectorXd values; calculateValues(position, values); // Compute the quadratic form: v^T * D * v // The spin density matrix is symmetric, so we can use the full matrix // multiply return values.dot(matrix * values); } bool GaussianSetTools::isValid() const { return (m_molecule != nullptr) && (dynamic_cast(m_molecule->basisSet()) != nullptr); } inline bool GaussianSetTools::isSmall(double val) const { return std::abs(val) < 1e-12; } inline void GaussianSetTools::calculateCutoffs() { // Guesstimate a distance we can ignore the exp(-alpha * r^2) term // .. because it's negligible // This will depend on the angular momentum of the basis function // .. so we calculate it for whatever L values in this basis set const double threshold = 0.03 * 0.001; // 0.1% of a typical isovalue const double maxDistance = 100.0; // just in case (diffuse functions) // get the exponents and normalized coefficients const std::vector& exponents = m_basis->gtoA(); const std::vector& coefficients = m_basis->gtoCN(); const std::vector& sym = m_basis->symmetry(); // we loop through the "symmetry" (i.e., L values in this basis set) for (size_t i = 0; i < sym.size(); ++i) { int L = symToL[sym[i]]; // this is a hack, since not all coefficients will be the same // .. but it's a good approximation since they'll be similar unsigned int cIndex = m_basis->cIndices()[i]; const double coeff = std::abs(coefficients[cIndex]); // now loop through all exponents for this L value // (e.g., multiple terms - we don't know which is the most diffuse) for (unsigned int j = m_basis->gtoIndices()[i]; j < m_basis->gtoIndices()[i + 1]; ++j) { double alpha = exponents[j]; // except for S, we don't want to start at the origin double r = std::min(maxDistance, std::sqrt(L / (2 * alpha))); double value = coeff * std::pow(r, L) * std::exp(-alpha * r * r); while (value > threshold && r < maxDistance) { r += 0.25; value = coeff * std::pow(r, L) * std::exp(-alpha * r * r); } m_cutoffDistances[L] = std::max(m_cutoffDistances[L], r * r); } } } inline void GaussianSetTools::calculateValues(const Vector3& position, Eigen::VectorXd& values) const { // Note: initCalculation() is called once in the constructor Index atomsSize = static_cast(m_atomPositionsBohr.cols()); size_t basisSize = m_basis->symmetry().size(); const std::vector& basis = m_basis->symmetry(); const std::vector& atomIndices = m_basis->atomIndices(); // Calculate our position Vector3 pos(position * ANGSTROM_TO_BOHR); // Vectorized computation of deltas and squared distances // deltas: 3 x N matrix where each column is (pos - atomPos[i]) Eigen::Matrix deltas = (-m_atomPositionsBohr).colwise() + pos; // dr2: vector of squared distances for each atom Eigen::VectorXd dr2 = deltas.colwise().squaredNorm(); // Resize and zero the output vector Index matrixSize = m_basis->moMatrix().rows(); values.setZero(matrixSize); // Now calculate the values at this point in space for (unsigned int i = 0; i < basisSize; ++i) { // bail early if the distance is too big unsigned int atomIdx = atomIndices[i]; double cutoff = m_cutoffDistances[symToL[basis[i]]]; if (dr2(atomIdx) > cutoff) continue; // Get delta vector for this atom (column of the deltas matrix) Vector3 delta = deltas.col(atomIdx); double dr2_i = dr2(atomIdx); switch (basis[i]) { case GaussianSet::S: pointS(i, dr2_i, values); break; case GaussianSet::P: pointP(i, delta, dr2_i, values); break; case GaussianSet::D: pointD(i, delta, dr2_i, values); break; case GaussianSet::D5: pointD5(i, delta, dr2_i, values); break; case GaussianSet::F: pointF(i, delta, dr2_i, values); break; case GaussianSet::F7: pointF7(i, delta, dr2_i, values); break; case GaussianSet::G: pointG(i, delta, dr2_i, values); break; case GaussianSet::G9: pointG9(i, delta, dr2_i, values); break; default: // Not handled - return a zero contribution ; } } } inline void GaussianSetTools::pointS(unsigned int moIndex, double dr2, Eigen::VectorXd& values) const { // S type orbitals - the simplest of the calculations with one component const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); double tmp = 0.0; unsigned int cIndex = m_basis->cIndices()[moIndex]; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { tmp += gtoCN[cIndex++] * exp(-gtoA[i] * dr2); } // There is one MO coefficient per S shell basis. values[m_basis->moIndices()[moIndex]] = tmp; } inline void GaussianSetTools::pointP(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // P type orbitals have three components and each component has a different // independent MO weighting. Many things can be cached to save time though. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; Vector3 components(Vector3::Zero()); // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { tmpGTO = exp(-gtoA[i] * dr2); for (unsigned int j = 0; j < 3; ++j) { components[j] += gtoCN[cIndex++] * tmpGTO; } } for (unsigned int i = 0; i < 3; ++i) values[baseIndex + i] = components[i] * delta[i]; } inline void GaussianSetTools::pointD(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // D type orbitals have six components and each component has a different // independent MO weighting. Many things can be cached to save time though. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[6] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double componentsD[6] = { delta.x() * delta.x(), // xx delta.y() * delta.y(), // yy delta.z() * delta.z(), // zz delta.x() * delta.y(), // xy delta.x() * delta.z(), // xz delta.y() * delta.z() }; // yz for (int i = 0; i < 6; ++i) values[baseIndex + i] += components[i] * componentsD[i]; } inline void GaussianSetTools::pointD5(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // D type orbitals have five components and each component has a different // MO weighting. Many things can be cached to save time. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[5] = { 0.0, 0.0, 0.0, 0.0, 0.0 }; // Now iterate through the D type GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } // Calculate the prefactors double xx = delta.x() * delta.x(); double yy = delta.y() * delta.y(); double zz = delta.z() * delta.z(); double xy = delta.x() * delta.y(); double xz = delta.x() * delta.z(); double yz = delta.y() * delta.z(); double componentsD[5] = { zz - dr2, // 0 xz, // 1p yz, // 1n xx - yy, // 2p xy }; // 2n for (int i = 0; i < 5; ++i) values[baseIndex + i] += componentsD[i] * components[i]; } inline void GaussianSetTools::pointF(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // F type orbitals have 10 components and each component has a different // independent MO weighting. Many things can be cached to save time though. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[10] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double xxx = delta.x() * delta.x() * delta.x(); // xxx double xxy = delta.x() * delta.x() * delta.y(); // xxy double xxz = delta.x() * delta.x() * delta.z(); // xxz double xyy = delta.x() * delta.y() * delta.y(); // xyy double xyz = delta.x() * delta.y() * delta.z(); // xyz double xzz = delta.x() * delta.z() * delta.z(); // xzz double yyy = delta.y() * delta.y() * delta.y(); // yyy double yyz = delta.y() * delta.y() * delta.z(); // yyz double yzz = delta.y() * delta.z() * delta.z(); // yzz double zzz = delta.z() * delta.z() * delta.z(); // zzz double componentsF[10] = { // molden order // e.g https://gau2grid.readthedocs.io/en/latest/order.html xxx, yyy, zzz, xyy, xxy, xxz, xzz, yzz, yyz, xyz }; for (int i = 0; i < 10; ++i) values[baseIndex + i] += components[i] * componentsF[i]; } inline void GaussianSetTools::pointF7(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // F type orbitals have 7 components and each component has a different // independent MO weighting. Many things can be cached to save time though. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[7] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; // Now iterate through the F type GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double xxx = delta.x() * delta.x() * delta.x(); // xxx double xxy = delta.x() * delta.x() * delta.y(); // xxy double xxz = delta.x() * delta.x() * delta.z(); // xxz double xyy = delta.x() * delta.y() * delta.y(); // xyy double xyz = delta.x() * delta.y() * delta.z(); // xyz double xzz = delta.x() * delta.z() * delta.z(); // xzz double yyy = delta.y() * delta.y() * delta.y(); // yyy double yyz = delta.y() * delta.y() * delta.z(); // yyz double yzz = delta.y() * delta.z() * delta.z(); // yzz double zzz = delta.z() * delta.z() * delta.z(); // zzz /* spherical combinations borrowed from CASINO/Crystal documentation linear combination 3,0 z^3 - 3/2 * (x^2z + y^2z) 2z^3 - 3 * (x^2z + y^2z) * 2 3,1 6 * xz^2 - 3/2 * (x^3 + xy^2) 4xz^2 - x^3 - xy^2 * 2/3 3,-1 6 * yz^2 - 3/2 * (x^2y + y^3) 4yz^2 - x^2y - y^3 * 2/3 3,2 15 * (x^2z - y^2z) x^2z - y^2z * 1/15 3,-2 30 * xyz xyz * 1/30 3,3 15 * x^3 - 45 * xy^2 x^3 - 3xy^2 * 1/15 3,-3 45 * x^2y - 15 * y^3 3x^2y - y^3 * 1/15 final normalization (2 - delta_m,0) * (l - |m|)! * root ------------------------------ (m-dependent) (l + m)! */ double root6 = 2.449489742783178; double root60 = 7.745966692414834; double root360 = 18.973665961010276; double componentsF[7] = { zzz - 3.0 / 2.0 * (xxz + yyz), (6.0 * xzz - 3.0 / 2.0 * (xxx + xyy)) / root6, (6.0 * yzz - 3.0 / 2.0 * (xxy + yyy)) / root6, (15.0 * (xxz - yyz)) / root60, (30.0 * xyz) / root60, (15.0 * xxx - 45.0 * xyy) / root360, (45.0 * xxy - 15.0 * yyy) / root360 }; for (int i = 0; i < 7; ++i) values[baseIndex + i] += components[i] * componentsF[i]; } inline void GaussianSetTools::pointG(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // G type orbitals have 15 components and each component has a different // independent MO weighting. Many things can be cached to save time though. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[15] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; // Now iterate through the G type GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } // e.g. XXXX YYYY ZZZZ XXXY XXXZ XYYY YYYZ ZZZX ZZZY XXYY XXZZ YYZZ XXYZ XYYZ // XYZZ const double xxxx = delta.x() * delta.x() * delta.x() * delta.x(); const double yyyy = delta.y() * delta.y() * delta.y() * delta.y(); const double zzzz = delta.z() * delta.z() * delta.z() * delta.z(); const double xxxy = delta.x() * delta.x() * delta.x() * delta.y(); const double xxxz = delta.x() * delta.x() * delta.x() * delta.z(); const double yyyx = delta.y() * delta.y() * delta.y() * delta.x(); const double yyyz = delta.y() * delta.y() * delta.y() * delta.z(); const double zzzx = delta.z() * delta.z() * delta.z() * delta.x(); const double zzzy = delta.z() * delta.z() * delta.z() * delta.y(); const double xxyy = delta.x() * delta.x() * delta.y() * delta.y(); const double xxzz = delta.x() * delta.x() * delta.z() * delta.z(); const double yyzz = delta.y() * delta.y() * delta.z() * delta.z(); const double xxyz = delta.x() * delta.x() * delta.y() * delta.z(); const double yyxz = delta.y() * delta.y() * delta.x() * delta.z(); const double zzxy = delta.z() * delta.z() * delta.x() * delta.y(); // molden order // https://www.theochem.ru.nl/molden/molden_format.html // https://gau2grid.readthedocs.io/en/latest/order.html // xxxx yyyy zzzz xxxy xxxz yyyx yyyz zzzx zzzy, // xxyy xxzz yyzz xxyz yyxz zzxy double componentsG[15] = { xxxx, yyyy, zzzz, xxxy, xxxz, yyyx, yyyz, zzzx, zzzy, xxyy, xxzz, yyzz, xxyz, yyxz, zzxy }; for (int i = 0; i < 15; ++i) values[baseIndex + i] += components[i] * componentsG[i]; } inline void GaussianSetTools::pointG9(unsigned int moIndex, const Vector3& delta, double dr2, Eigen::VectorXd& values) const { // G type orbitals have 9 spherical components and each component // has a different independent MO weighting. // Many things can be cached to save time though. const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); const vector& gtoIndices = m_basis->gtoIndices(); unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[9] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = gtoIndices[moIndex]; i < gtoIndices[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double x2(delta.x() * delta.x()), y2(delta.y() * delta.y()), z2(delta.z() * delta.z()); double componentsG[9] = { 3.0 * dr2 * dr2 - 30.0 * dr2 * z2 + 35.0 * z2 * z2 * (1.0 / 8.0), delta.x() * delta.z() * (7.0 * z2 - 3.0 * dr2) * (sqrt(5.0) / 8.0), delta.y() * delta.z() * (7.0 * z2 - 3.0 * dr2) * (sqrt(5.0) / 8.0), (x2 - y2) * (7.0 * z2 - dr2) * (sqrt(5.0) / 4.0), delta.x() * delta.y() * (7.0 * z2 - dr2) * (sqrt(5.0) / 2.0), delta.x() * delta.z() * (x2 - 3.0 * y2) * (sqrt(7.0) / 4.0), delta.y() * delta.z() * (3.0 * x2 - y2) * (sqrt(7.0) / 4.0), (x2 * x2 - 6.0 * x2 * y2 + y2 * y2) * (sqrt(35.0) / 8.0), delta.x() * delta.y() * (x2 - y2) * (sqrt(35.0) / 2.0) }; for (int i = 0; i < 9; ++i) values[baseIndex + i] += components[i] * componentsG[i]; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/gaussiansettools.h000066400000000000000000000121351516317240700260060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_GAUSSIANSETTOOLS_H #define AVOGADRO_CORE_GAUSSIANSETTOOLS_H #include "avogadrocoreexport.h" #include "basisset.h" #include "vector.h" #include namespace Avogadro::Core { class Cube; class GaussianSet; class Molecule; /** * @class GaussianSetTools gaussiansettools.h * @brief Provide tools to calculate molecular orbitals, electron densities and * other derived data stored in a GaussianSet result. * @author Marcus D. Hanwell */ class AVOGADROCORE_EXPORT GaussianSetTools { public: explicit GaussianSetTools(Molecule* mol = nullptr); ~GaussianSetTools() = default; /** * @brief Set the electron type, must be called once MOs are available * @param type The electron type - Alpha, Beta, or Paired (default). */ void setElectronType(BasisSet::ElectronType type) { m_type = type; } /** * @brief Populate the cube with values for the molecular orbital. * @param cube The cube to be populated with values. * @param molecularOrbitalNumber The molecular orbital number. * @return True on success, false on failure. */ bool calculateMolecularOrbital(Cube& cube, int molecularOrbitalNumber) const; /** * @brief Calculate the value of the specified molecular orbital at the * position specified. * @param position The position in space to calculate the value. * @param molecularOrbitalNumber The molecular orbital number. * @return The value of the molecular orbital at the position specified. */ double calculateMolecularOrbital(const Vector3& position, int molecularOrbitalNumber) const; /** * @brief Populate the cube with values for the electron density. * @param cube The cube to be populated with values. * @return True on success, false on failure. */ bool calculateElectronDensity(Cube& cube) const; /** * @brief Calculate the value of the electron density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the electron density at the position specified. */ double calculateElectronDensity(const Vector3& position) const; /** * @brief Populate the cube with values for the spin density. * @param cube The cube to be populated with values. * @return True on success, false on failure. */ bool calculateSpinDensity(Cube& cube) const; /** * @brief Calculate the value of the electron spin density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the spin density at the position specified. */ double calculateSpinDensity(const Vector3& position) const; /** * @brief Check that the basis set is valid and can be used. * @return True if valid, false otherwise. */ bool isValid() const; private: Molecule* m_molecule; GaussianSet* m_basis; BasisSet::ElectronType m_type = BasisSet::Paired; std::vector m_cutoffDistances; // Cached atom positions in Bohr as 3 x N matrix for vectorized operations Eigen::Matrix m_atomPositionsBohr; bool isSmall(double value) const; // get the cutoff distance for the given angular momentum // .. and the current basis set (exponents) void calculateCutoffs(); /** * @brief Calculate the values at this position in space. The public calculate * functions call this function to prepare values before multiplying by the * molecular orbital or density matrix elements. * @param position The position in space to calculate the value. * @param values Output vector to store basis function values (will be resized * and zeroed). */ void calculateValues(const Vector3& position, Eigen::VectorXd& values) const; void pointS(unsigned int index, double dr2, Eigen::VectorXd& values) const; void pointP(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; void pointD(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; void pointD5(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; void pointF(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; void pointF7(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; void pointG(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; void pointG9(unsigned int index, const Vector3& delta, double dr2, Eigen::VectorXd& values) const; // map from symmetry to angular momentum // S, SP, P, D, D5, F, F7, G, G9, etc. const int symToL[13] = { 0, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6 }; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_GAUSSIANSETTOOLS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/graph.cpp000066400000000000000000000423761516317240700240450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "graph.h" #include #include #include #include #include #include namespace Avogadro::Core { Graph::Graph(size_t n) : m_adjacencyList(n), m_edgeMap(n), m_vertexToSubgraph(n) { for (size_t i = 0; i < n; i++) { m_vertexToSubgraph[i] = -1; m_loneVertices.insert(i); } } void Graph::setSize(size_t n) { // If the graph is being made smaller we first need to remove all of the edges // from the soon to be removed vertices. for (size_t i = n; i < m_adjacencyList.size(); ++i) { removeEdges(i); // Mark subgraph as dirty if vertex has one assigned if (m_vertexToSubgraph[i] >= 0) m_subgraphDirty[m_vertexToSubgraph[i]] = true; } m_vertexToSubgraph.resize(n); // Mark the new nodes as isolated, with no explicit subgraph for (size_t i = m_adjacencyList.size(); i < n; ++i) { m_vertexToSubgraph[i] = -1; m_loneVertices.insert(i); } m_adjacencyList.resize(n); m_edgeMap.resize(n); } size_t Graph::size() const { return vertexCount(); } bool Graph::isEmpty() const { return m_adjacencyList.empty(); } void Graph::clear() { m_adjacencyList.clear(); m_edgeMap.clear(); m_edgePairs.clear(); m_vertexToSubgraph.clear(); m_subgraphToVertices.clear(); m_subgraphDirty.clear(); } size_t Graph::addVertex() { setSize(size() + 1); return size() - 1; } void Graph::removeVertex(size_t index) { // invalid request, skip it if (index >= size()) return; // Mark the subgraph as dirty, leave the work for later if (m_vertexToSubgraph[index] >= 0) m_subgraphDirty[m_vertexToSubgraph[index]] = true; // Remove the edges to the vertex. removeEdges(index); // The vertex is being removed entirely, so it should no longer be tracked // as a lone vertex. m_loneVertices.erase(index); // Swap with last vertex. if (index < size() - 1) { std::swap(m_adjacencyList[index], m_adjacencyList.back()); size_t affectedIndex = m_adjacencyList.size() - 1; // NOLINTBEGIN(*) for (size_t i = 0; i < m_adjacencyList[index].size(); i++) { size_t otherIndex = m_adjacencyList[index][i]; for (size_t j = 0; j < m_adjacencyList[otherIndex].size(); j++) { if (m_adjacencyList[otherIndex][j] == affectedIndex) m_adjacencyList[otherIndex][j] = index; } } // NOLINTEND(*) std::swap(m_edgeMap[index], m_edgeMap.back()); for (size_t i = 0; i < m_edgeMap[index].size(); i++) { size_t edgeIndex = m_edgeMap[index][i]; if (m_edgePairs[edgeIndex].first == affectedIndex) m_edgePairs[edgeIndex].first = index; if (m_edgePairs[edgeIndex].second == affectedIndex) m_edgePairs[edgeIndex].second = index; } if (m_vertexToSubgraph[index] >= 0) m_subgraphToVertices[m_vertexToSubgraph[index]].erase(index); std::swap(m_vertexToSubgraph[index], m_vertexToSubgraph.back()); if (m_vertexToSubgraph[index] >= 0) { m_subgraphToVertices[m_vertexToSubgraph[index]].erase(affectedIndex); m_subgraphToVertices[m_vertexToSubgraph[index]].insert(index); } if (m_loneVertices.erase(affectedIndex) > 0) m_loneVertices.insert(index); } m_adjacencyList.pop_back(); m_edgeMap.pop_back(); m_vertexToSubgraph.pop_back(); } void Graph::swapVertexIndices(size_t a, size_t b) { // Swap all references to a and b in m_adjacencyList for (size_t i = 0; i < m_adjacencyList[a].size(); i++) { size_t otherIndex = m_adjacencyList[a][i]; if (otherIndex == b) continue; // NOLINTBEGIN(*) for (size_t j = 0; j < m_adjacencyList[otherIndex].size(); j++) { if (m_adjacencyList[otherIndex][j] == a) { m_adjacencyList[otherIndex][j] = b; break; } } // NOLINTEND(*) } for (size_t i = 0; i < m_adjacencyList[b].size(); i++) { size_t otherIndex = m_adjacencyList[b][i]; if (otherIndex == a) continue; // NOLINTBEGIN(*) for (size_t j = 0; j < m_adjacencyList[otherIndex].size(); j++) { if (m_adjacencyList[otherIndex][j] == b) { m_adjacencyList[otherIndex][j] = a; break; } } // NOLINTEND(*) } std::swap(m_adjacencyList[a], m_adjacencyList[b]); // Update m_edgePairs using info from m_edgeMap for (size_t i = 0; i < m_edgeMap[a].size(); i++) { size_t edgeIndex = m_edgeMap[a][i]; if (m_edgePairs[edgeIndex].first == a) { m_edgePairs[edgeIndex].first = b; if (m_edgePairs[edgeIndex].second == b) m_edgePairs[edgeIndex].second = a; } if (m_edgePairs[edgeIndex].second == a) { m_edgePairs[edgeIndex].second = b; if (m_edgePairs[edgeIndex].first == b) m_edgePairs[edgeIndex].first = a; } } for (size_t i = 0; i < m_edgeMap[b].size(); i++) { size_t edgeIndex = m_edgeMap[b][i]; if (m_edgePairs[edgeIndex].first == b && m_edgePairs[edgeIndex].second != a) m_edgePairs[edgeIndex].first = a; if (m_edgePairs[edgeIndex].second == b && m_edgePairs[edgeIndex].first != a) m_edgePairs[edgeIndex].second = a; } std::swap(m_edgeMap[a], m_edgeMap[b]); } size_t Graph::vertexCount() const { return m_adjacencyList.size(); } size_t Graph::addEdge(size_t a, size_t b) { assert(a < size()); assert(b < size()); if (b < a) std::swap(a, b); std::vector& neighborsA = m_adjacencyList[a]; std::vector& neighborsB = m_adjacencyList[b]; // Ensure edge does not exist already. if (std::find(neighborsA.begin(), neighborsA.end(), b) != neighborsA.end()) { // NOLINTBEGIN(*) for (size_t i = 0; i < m_edgeMap[a].size(); i++) { size_t edgeIndex = m_edgeMap[a][i]; if (m_edgePairs[edgeIndex].first == b || m_edgePairs[edgeIndex].second == b) return edgeIndex; } // NOLINTEND(*) } // Merge subgraphs int subgraphA = m_vertexToSubgraph[a]; int subgraphB = m_vertexToSubgraph[b]; if (subgraphA < 0 && subgraphB < 0) { int newSubgraph = createNewSubgraph(); m_vertexToSubgraph[a] = newSubgraph; m_vertexToSubgraph[b] = newSubgraph; m_subgraphToVertices[newSubgraph].insert(a); m_subgraphToVertices[newSubgraph].insert(b); m_loneVertices.erase(a); m_loneVertices.erase(b); } else if (subgraphA < 0) { m_vertexToSubgraph[a] = subgraphB; m_subgraphToVertices[subgraphB].insert(a); m_loneVertices.erase(a); } else if (subgraphB < 0) { m_vertexToSubgraph[b] = subgraphA; m_subgraphToVertices[subgraphA].insert(b); m_loneVertices.erase(b); } else if (subgraphA != subgraphB) { m_subgraphDirty[subgraphA] = m_subgraphDirty[subgraphA] || m_subgraphDirty[subgraphB]; for (size_t i : m_subgraphToVertices[subgraphB]) { m_subgraphToVertices[subgraphA].insert(i); if (i < m_vertexToSubgraph.size()) m_vertexToSubgraph[i] = subgraphA; else m_vertexToSubgraph.push_back(subgraphA); } // Just leave it empty, it could be reused m_subgraphToVertices[subgraphB].clear(); } // Add the edge to each vertex' adjacency list. neighborsA.push_back(b); neighborsB.push_back(a); // Add the edge to each vertex' incident edge list. size_t newEdgeIndex = edgeCount(); m_edgeMap[a].push_back(newEdgeIndex); m_edgeMap[b].push_back(newEdgeIndex); m_edgePairs.push_back(std::pair(a, b)); return newEdgeIndex; } std::set Graph::checkConectivity(size_t a, size_t b) const { if (a == b) { return std::set(); } std::set visited; bool connected = false; std::stack nextNeighbors; visited.insert(a); nextNeighbors.push(a); while (!nextNeighbors.empty()) { size_t visiting = nextNeighbors.top(); visited.insert(visiting); nextNeighbors.pop(); const std::vector& neighbors = m_adjacencyList[visiting]; for (const auto& n : neighbors) { if (visiting == b) { connected = true; } if (visited.find(n) == visited.end()) { visited.insert(n); nextNeighbors.push(n); } } } if (connected) { return std::set(); } return visited; } void Graph::removeEdge(size_t a, size_t b) { if (a >= size() || b >= size()) return; std::vector& neighborsA = m_adjacencyList[a]; std::vector& neighborsB = m_adjacencyList[b]; auto iter = std::find(neighborsA.begin(), neighborsA.end(), b); if (iter == neighborsA.end()) return; std::swap(*iter, neighborsA.back()); neighborsA.pop_back(); std::swap(*std::find(neighborsB.begin(), neighborsB.end(), a), neighborsB.back()); neighborsB.pop_back(); size_t edgeIndex = 0; for (size_t i = 0; i < m_edgeMap[a].size(); i++) { edgeIndex = m_edgeMap[a][i]; const std::pair& pair = m_edgePairs[edgeIndex]; if (pair.first == b || pair.second == b) { std::swap(m_edgeMap[a][i], m_edgeMap[a].back()); m_edgeMap[a].pop_back(); break; } } for (size_t i = 0; i < m_edgeMap[b].size(); i++) { if (m_edgeMap[b][i] == edgeIndex) { std::swap(m_edgeMap[b][i], m_edgeMap[b].back()); m_edgeMap[b].pop_back(); break; } } std::swap(m_edgePairs[edgeIndex], m_edgePairs.back()); m_edgePairs.pop_back(); size_t affectedIndex = m_edgePairs.size(); if (affectedIndex != edgeIndex) { std::vector& edgeList1 = m_edgeMap[m_edgePairs[edgeIndex].first]; *std::find(edgeList1.begin(), edgeList1.end(), affectedIndex) = edgeIndex; std::vector& edgeList2 = m_edgeMap[m_edgePairs[edgeIndex].second]; *std::find(edgeList2.begin(), edgeList2.end(), affectedIndex) = edgeIndex; } // Mark the subgraph as dirty, leave the work for later if (m_vertexToSubgraph[a] >= 0) m_subgraphDirty[m_vertexToSubgraph[a]] = true; } void Graph::removeEdge(size_t edgeIndex) { if (edgeIndex >= edgeCount()) return; const std::pair& pair = m_edgePairs[edgeIndex]; removeEdge(pair.first, pair.second); } void Graph::removeEdges() { for (size_t i = 0; i < m_adjacencyList.size(); ++i) { m_adjacencyList[i].clear(); m_edgeMap[i].clear(); m_vertexToSubgraph[i] = -1; m_loneVertices.insert(i); } m_edgePairs.clear(); m_subgraphToVertices.clear(); m_subgraphDirty.clear(); } void Graph::removeEdges(size_t index) { if (index >= size()) return; // Mark the subgraph as dirty, leave the work for later const int subgraph = m_vertexToSubgraph[index]; if (subgraph >= 0) { m_subgraphDirty[subgraph] = true; m_subgraphToVertices[subgraph].erase(index); } m_vertexToSubgraph[index] = -1; m_loneVertices.insert(index); // Removing edges mutates m_edgeMap[index], so consume until empty. while (!m_edgeMap[index].empty()) removeEdge(m_edgeMap[index].back()); } void Graph::editEdgeInPlace(size_t edgeIndex, size_t a, size_t b) { auto& pair = m_edgePairs[edgeIndex]; // Remove references to the deleted edge from both endpoints. for (size_t i = 0; i < m_edgeMap[pair.first].size(); i++) { std::swap(m_edgeMap[pair.first][i], m_edgeMap[pair.first].back()); m_edgeMap[pair.first].pop_back(); } for (size_t i = 0; i < m_edgeMap[pair.second].size(); i++) { std::swap(m_edgeMap[pair.second][i], m_edgeMap[pair.second].back()); m_edgeMap[pair.second].pop_back(); } m_edgeMap[a].push_back(edgeIndex); m_edgeMap[b].push_back(edgeIndex); pair.first = a; pair.second = b; } void Graph::swapEdgeIndices(size_t edgeIndex1, size_t edgeIndex2) { // Find the 4 endpoints of both edges. const std::pair& pair1 = m_edgePairs[edgeIndex1]; std::array changeTo2 = { nullptr, nullptr }; // NOLINTBEGIN(*) for (size_t i = 0; i < m_edgeMap[pair1.first].size(); i++) { if (m_edgeMap[pair1.first][i] == edgeIndex1) { changeTo2[0] = &m_edgeMap[pair1.first][i]; } } for (size_t i = 0; i < m_edgeMap[pair1.second].size(); i++) { if (m_edgeMap[pair1.second][i] == edgeIndex1) { changeTo2[1] = &m_edgeMap[pair1.second][i]; } } const std::pair& pair2 = m_edgePairs[edgeIndex2]; std::array changeTo1 = { nullptr, nullptr }; for (size_t i = 0; i < m_edgeMap[pair2.first].size(); i++) { if (m_edgeMap[pair2.first][i] == edgeIndex2) { changeTo1[0] = &m_edgeMap[pair2.first][i]; } } for (size_t i = 0; i < m_edgeMap[pair2.second].size(); i++) { if (m_edgeMap[pair2.second][i] == edgeIndex2) { changeTo1[1] = &m_edgeMap[pair2.second][i]; } } // NOLINTEND(*) /* Swap m_edgeMap values only after reading everything, to avoid race condition. */ if (changeTo2[0] && changeTo2[1]) { *changeTo2[0] = edgeIndex2; *changeTo2[1] = edgeIndex2; } if (changeTo1[0] && changeTo1[1]) { *changeTo1[0] = edgeIndex1; *changeTo1[1] = edgeIndex1; } std::swap(m_edgePairs[edgeIndex1], m_edgePairs[edgeIndex2]); } size_t Graph::edgeCount() const { return m_edgePairs.size(); } std::vector Graph::neighbors(size_t index) const { if (index == size()) { std::vector emptyVector; return std::vector(emptyVector); } assert(index < size()); return std::vector(m_adjacencyList[index]); } std::vector Graph::edges(size_t index) const { assert(index < size()); return std::vector(m_edgeMap[index]); } std::pair Graph::endpoints(size_t index) const { assert(index < edgeCount()); return std::pair(m_edgePairs[index]); } size_t Graph::degree(size_t index) const { return neighbors(index).size(); } bool Graph::containsEdge(size_t a, size_t b) const { if (a >= size() || b >= size()) return false; const std::vector& neighborsA = neighbors(a); return std::find(neighborsA.begin(), neighborsA.end(), b) != neighborsA.end(); } const Array>& Graph::edgePairs() const { return m_edgePairs; } int Graph::createNewSubgraph() const { // Try to find an empty subgraph to reuse for (size_t i = 0; i < m_subgraphToVertices.size(); i++) { if (!m_subgraphToVertices[i].size()) { m_subgraphDirty[i] = false; return int(i); } } // Otherwise, extend the list int r = m_subgraphDirty.size(); m_subgraphToVertices.emplace_back(); m_subgraphDirty.push_back(false); return r; } void Graph::checkSplitSubgraph(int subgraph) const { if (!m_subgraphDirty[subgraph]) return; m_subgraphDirty[subgraph] = false; // First, set all vertices to subgraph -1 (meaning not visited) for (size_t i : m_subgraphToVertices[subgraph]) m_vertexToSubgraph[i] = -1; // Then, try to classify all vertices in some subgraph int currentSubgraph = subgraph; std::set inputVertices = m_subgraphToVertices[subgraph]; m_subgraphToVertices[subgraph] = std::set(); for (size_t i : inputVertices) { if (m_vertexToSubgraph[i] < 0) { if (currentSubgraph < 0) currentSubgraph = createNewSubgraph(); // Walk through all connected vertices std::vector verticesToVisit; verticesToVisit.push_back(i); do { size_t currentVertex = verticesToVisit.back(); verticesToVisit.pop_back(); // Assign new vertices to the current subgraph if (m_vertexToSubgraph[currentVertex] < 0) { m_vertexToSubgraph[currentVertex] = currentSubgraph; m_subgraphToVertices[currentSubgraph].insert(currentVertex); const std::vector neighborList = neighbors(currentVertex); verticesToVisit.insert(verticesToVisit.end(), neighborList.begin(), neighborList.end()); } } while (verticesToVisit.size()); currentSubgraph = -1; } } } void Graph::updateSubgraphs() const { for (size_t v : m_loneVertices) { int newSubgraph = createNewSubgraph(); m_vertexToSubgraph[v] = newSubgraph; m_subgraphToVertices[newSubgraph].insert(v); } m_loneVertices.clear(); for (size_t i = 0; i < m_subgraphToVertices.size(); i++) { checkSplitSubgraph(i); } } std::vector> Graph::connectedComponents() const { updateSubgraphs(); std::vector> r; for (const std::set& s : m_subgraphToVertices) { if (!s.empty()) r.push_back(s); } return r; } std::set Graph::connectedComponent(size_t index) const { size_t subgraphIndex = subgraph(index); return m_subgraphToVertices[subgraphIndex]; } size_t Graph::subgraphsCount() const { updateSubgraphs(); size_t r = 0; for (const std::set& s : m_subgraphToVertices) { if (!s.empty()) r++; } return r; } size_t Graph::subgraph(size_t element) const { int r = m_vertexToSubgraph[element]; // Index -1 means disconnected (its own subgraph) if (r < 0) { int newSubgraph = createNewSubgraph(); m_vertexToSubgraph[element] = newSubgraph; m_subgraphToVertices[newSubgraph].insert(element); return newSubgraph; } if (m_subgraphDirty[r]) { checkSplitSubgraph(r); r = m_vertexToSubgraph[element]; } return r; } size_t Graph::subgraphCount(size_t element) const { int subgraphIndex = subgraph(element); return m_subgraphToVertices[subgraphIndex].size(); } size_t Graph::getConnectedID(size_t index) const { return subgraph(index); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/graph.h000066400000000000000000000162531516317240700235050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_GRAPH_H #define AVOGADRO_CORE_GRAPH_H #include "avogadrocoreexport.h" #include "array.h" #include #include namespace Avogadro::Core { /** * @class Graph graph.h * @brief The Graph class represents a graph data structure. * * A graph consists of vertices and edges, wherein every edge connects two * vertices. Each vertex is assigned an index, starting from 0 up to size() - 1. * Each edge is also assigned an index, from 0 to edgeCount() - 1. */ class AVOGADROCORE_EXPORT Graph { public: /** Creates a new, empty graph. */ Graph() = default; /** Creates a new graph containing size @p n vertices. */ explicit Graph(size_t n); /** Destroys the graph. */ ~Graph() = default; /** * Sets the number of vertices in the graph to size @p n. * * If @p n is smaller than \c size(), this removes all vertices with index * @p n or higher, as well as any edges connected to them, while preserving * all other vertices and edges. These vertices keep their existing indices, * while no guarantee is made regarding preserved edge indices. * * If @p n is larger than \c size(), a number of unconnected vertices are * added, up to the requested size. All existing vertices and edges are * preserved in their current form. */ void setSize(size_t n); /** @return the number of vertices in the graph. */ size_t size() const; /** @return \c true if the graph is empty (i.e. size() == \c 0). */ bool isEmpty() const; /** Removes all vertices and edges from the graph. */ void clear(); /** * Adds a vertex to the graph and returns its index. * The new vertex is initially not connected. All existing vertices and edges * are preserved and their indices unchanged. */ size_t addVertex(); /** * Removes the vertex at @p index from the graph, as well as all edges to it. * If @p index is not the highest vertex index in the graph, the vertex with * highest index will be assigned the index of the removed vertex. All other * vertices will keep their indices. No guarantees are made regarding edge * indices. */ void removeVertex(size_t index); /** * Swaps two vertices' indices, without affecting connectivity. * All other vertices and all edges keep their existing indices. */ void swapVertexIndices(size_t a, size_t b); /** @return the number of vertices in the graph. */ size_t vertexCount() const; /** * Adds an edge between vertices @p a and @p b and returns its index. * All existing vertices and edges are preserved unchanged. */ size_t addEdge(size_t a, size_t b); /** * Removes the edge between vertices @p a and @p b. * All vertices keep their indices. If the removed edge has an index lower * than the highest edge index in the graph, the edge with the highest index * is given the index of the removed edge. All other edges remain unchanged. */ void removeEdge(size_t a, size_t b); /** * Removes edge with index @p edgeIndex. * All vertices keep their indices. If @p edgeIndex is lower than the highest * edge index in the graph, the edge with the highest index is given the index * of the removed edge. All other edges remain unchanged. */ void removeEdge(size_t edgeIndex); /** Removes all of the edges from the graph, without affecting vertices. */ void removeEdges(); /** * Removes all of the edges that contain the vertex at @p index from the * graph. */ void removeEdges(size_t index); /** * Removes the edge at @p edgeIndex, and creates a new one between vertices * @p a and @p b, with the same index as the removed edge. All other edges and * vertices keep their current indices. */ void editEdgeInPlace(size_t edgeIndex, size_t a, size_t b); /** * Swaps two edges' indices, without affecting connectivity. * All other edges and all vertices keep their current indices. */ void swapEdgeIndices(size_t edgeIndex1, size_t edgeIndex2); /** @return the number of edges in the graph. */ size_t edgeCount() const; /** * @return a vector containing the indices of each vertex that the vertex at * index shares an edge with. */ std::vector neighbors(size_t index) const; /** * @return a vector containing the indices of each edge that the vertex at * @p index is an endpoint of; that is, the edges incident at it. */ std::vector edges(size_t index) const; /** * @return the indices of the two vertices that the edge at @p index connects; * that is, its endpoints. */ std::pair endpoints(size_t edgeIndex) const; /** @return the degree of the vertex at @p index. */ size_t degree(size_t index) const; /** * @return \c true if the graph contains an edge between vertices @p a and * @p b. */ bool containsEdge(size_t a, size_t b) const; /** * @return an array with all edges, where every element contains the indices * of both endpoints of the edge with index equal to the element's array * index. */ const Array>& edgePairs() const; /** * @return a vector of vector containing the indices of each vertex in each * connected component in the graph. */ std::vector> connectedComponents() const; /** * @return a set containing the indices of each vertex connected with @p * index. */ std::set connectedComponent(size_t index) const; /** @return the number of connected subgraphs. */ size_t subgraphsCount() const; /** @return the subgraph ID of the connected subgraph @p index lies in. */ size_t subgraph(size_t index) const; /** * @return the size of the connected subgraph that includes @p index, * that is, the number of connected vertices in it. */ size_t subgraphCount(size_t index) const; /** * @return the subgraph ID of the connected subgraph @p index lies in. */ size_t getConnectedID(size_t index) const; private: std::set checkConectivity(size_t a, size_t b) const; std::vector> m_adjacencyList; std::vector> m_edgeMap; Array> m_edgePairs; /** @return the (new or reused) index of a newly created empty subgraph. */ int createNewSubgraph() const; /** * If @p subgraph is marked as dirty, traverse it * to check if it has split into many new subgraphs, * and mark the resulting subgraph(s) as clean. */ void checkSplitSubgraph(int subgraph) const; /** * Traverse and mark clean all dirty subgraphs, * and create new subgraphs for all lone vertices. * All subgraph data becomes synchronized as a result. */ void updateSubgraphs() const; mutable std::vector m_vertexToSubgraph; mutable std::vector> m_subgraphToVertices; mutable std::vector m_subgraphDirty; mutable std::set m_loneVertices; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_GRAPH_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/internalcoordinates.cpp000066400000000000000000000241271516317240700270050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "internalcoordinates.h" #include "matrix.h" #include namespace Avogadro::Core { Array internalToCartesian( const Molecule& molecule, const Array& internalCoords) { Array coords(molecule.atomCount()); Vector3 ab(0.0, 0.0, 0.0); Vector3 bc(0.0, 0.0, 0.0); for (Index i = 0; i < molecule.atomCount(); ++i) { Real sinTheta, cosTheta, sinPhi, cosPhi; Real length = internalCoords[i].length; Real angle = internalCoords[i].angle; Real dihedral = internalCoords[i].dihedral; // Index i represents the current atom Index a = internalCoords[i].a; // i will be some distance to a Index b = internalCoords[i].b; // i-a-b is an angle Index c = internalCoords[i].c; // i-a-b-c is a dihedral switch (i) { case 0: coords[i] = Vector3(0.0, 0.0, 0.0); break; case 1: coords[i] = Vector3(length, 0.0, 0.0); break; case 2: { sinTheta = std::sin(angle * DEG_TO_RAD); cosTheta = std::cos(angle * DEG_TO_RAD); ab = (coords[b] - coords[a]).normalized(); // We want to place atom i at distance 'length' from atom a // at angle 'angle' from the a-b direction // Perpendicular to ab in the xy-plane Vector3 perpendicular(-ab.y(), ab.x(), 0.0); if (perpendicular.norm() > 1e-6) { perpendicular.normalize(); } else { // ab is along z-axis, use x-axis as perpendicular perpendicular = Vector3(1.0, 0.0, 0.0); } // Place atom i: start from a, extend in direction // that makes angle with ab coords[i] = coords[a] + length * (cosTheta * ab + sinTheta * perpendicular); break; } default: // NeRF formula // see J. Comp. Chem. Vol. 26, No. 10, p. 1063-1068 (2005) // https://doi.org/10.1002/jcc.20237 sinTheta = std::sin(angle * DEG_TO_RAD); cosTheta = std::cos(angle * DEG_TO_RAD); sinPhi = std::sin(dihedral * DEG_TO_RAD); cosPhi = std::cos(dihedral * DEG_TO_RAD); // Place atom i relative to atoms a, b, c // - i bonds to a at distance 'length' // - angle at a between i-a-b is 'angle' // - dihedral i-a-b-c is 'dihedral' // Vector from a to b (the bond direction for angle reference) ab = (coords[b] - coords[a]).normalized(); // Vector from b to c (needed for dihedral plane) bc = (coords[c] - coords[b]).normalized(); // Normal to the plane defined by a-b-c Vector3 n = ab.cross(bc); Real n_norm = n.norm(); if (n_norm > 1e-10) { n.normalize(); } else { // Atoms a, b, c are collinear - choose arbitrary perpendicular // Find a vector perpendicular to ab if (std::abs(ab.x()) < 0.9) { n = Vector3(1.0, 0.0, 0.0).cross(ab).normalized(); } else { n = Vector3(0.0, 1.0, 0.0).cross(ab).normalized(); } } // Vector perpendicular to both ab and n // (in the plane perpendicular to ab) Vector3 n_perp = n.cross(ab); // Local coordinate system at atom a: // - ab direction: along the a-b bond (reference for angle) // - n_perp direction: perpendicular to ab, in plane for 0° dihedral // - n direction: perpendicular to ab, for rotating out of plane // Position in local frame using NeRF formula (page 1066, eq. 2) // We place atom i relative to atom a // The angle is measured from the ab direction // The dihedral rotates around the ab axis Vector3 localPos(length * cosTheta, length * sinTheta * cosPhi, length * sinTheta * sinPhi); // Build rotation matrix with columns [ab, n_perp, n] Matrix3 m; m << ab, n_perp, n; // Transform to global coordinates and translate to atom a coords[i] = m * localPos + coords[a]; break; } } return coords; } // Helper structure to store the connectivity tree struct ConnectivityTree { Array parent; // parent[i] = atom that i bonds to (atom a) Array grandparent; // grandparent[i] = parent's parent (atom b) Array greatgrandparent; // greatgrandparent[i] = grandparent's parent (atom c) }; // Build a spanning tree of the molecule using BFS // Handles disconnected fragments by building a separate tree for each component ConnectivityTree buildConnectivityTree(const Molecule& molecule) { Index atomCount = molecule.atomCount(); ConnectivityTree tree; tree.parent.resize(atomCount); tree.grandparent.resize(atomCount); tree.greatgrandparent.resize(atomCount); // Initialize all to -1 (invalid index) for (Index i = 0; i < atomCount; ++i) { tree.parent[i] = static_cast(-1); tree.grandparent[i] = static_cast(-1); tree.greatgrandparent[i] = static_cast(-1); } // Get connected components from the molecule's graph const Graph& graph = molecule.graph(); std::vector> components = graph.connectedComponents(); // Process each connected component separately for (const auto& component : components) { if (component.empty()) continue; // Pick the first atom in this component as root Index root = *component.begin(); // BFS from this root std::vector visited(atomCount, false); std::vector queue; queue.push_back(root); visited[root] = true; while (!queue.empty()) { Index current = queue.front(); queue.erase(queue.begin()); // Get neighbors from the graph std::vector neighborIndices = graph.neighbors(current); for (Index neighbor : neighborIndices) { if (!visited[neighbor]) { visited[neighbor] = true; tree.parent[neighbor] = current; // Set grandparent if parent has a parent if (tree.parent[current] != static_cast(-1)) { tree.grandparent[neighbor] = tree.parent[current]; // Set great-grandparent if grandparent has a parent Index grandparentIdx = tree.parent[current]; if (tree.parent[grandparentIdx] != static_cast(-1)) { tree.greatgrandparent[neighbor] = tree.parent[grandparentIdx]; } } queue.push_back(neighbor); } } } } return tree; } Array cartesianToInternal(const Molecule& molecule) { Array internalCoords(molecule.atomCount()); if (molecule.atomCount() < 1) return internalCoords; // Build connectivity tree using the molecule's graph ConnectivityTree tree = buildConnectivityTree(molecule); // Convert each atom to internal coordinates based on tree for (Index i = 0; i < molecule.atomCount(); ++i) { InternalCoordinate coord; coord.a = tree.parent[i]; coord.b = tree.grandparent[i]; coord.c = tree.greatgrandparent[i]; if (tree.parent[i] == static_cast(-1)) { // Root of a fragment - place at origin coord.length = 0.0; coord.angle = 0.0; coord.dihedral = 0.0; } else { // Calculate distance from i to parent (atom a) Vector3 vec_i_to_a = molecule.atom(tree.parent[i]).position3d() - molecule.atom(i).position3d(); coord.length = vec_i_to_a.norm(); if (tree.grandparent[i] == static_cast(-1)) { // Second atom in fragment - has distance only coord.angle = 0.0; coord.dihedral = 0.0; } else { // Calculate angle i-a-b (at atom a, between i-a and a-b bonds) Index a = tree.parent[i]; Index b = tree.grandparent[i]; Vector3 vec_a_to_i = -vec_i_to_a; // from a to i Vector3 vec_a_to_b = molecule.atom(b).position3d() - molecule.atom(a).position3d(); Real dot = vec_a_to_i.dot(vec_a_to_b); Real len_product = vec_a_to_i.norm() * vec_a_to_b.norm(); if (len_product > 1e-8) { Real cosAngle = dot / len_product; // Clamp to avoid numerical issues with acos cosAngle = std::clamp(cosAngle, -1.0, 1.0); coord.angle = std::acos(cosAngle) * RAD_TO_DEG; } else { coord.angle = 0.0; } if (tree.greatgrandparent[i] == static_cast(-1)) { // Third atom in fragment - has distance and angle only coord.dihedral = 0.0; } else { // Calculate dihedral i-a-b-c Index c = tree.greatgrandparent[i]; Vector3 p_i = molecule.atom(i).position3d(); Vector3 p_a = molecule.atom(a).position3d(); Vector3 p_b = molecule.atom(b).position3d(); Vector3 p_c = molecule.atom(c).position3d(); // Vectors along bonds Vector3 b1 = p_a - p_i; // i -> a Vector3 b2 = p_b - p_a; // a -> b Vector3 b3 = p_c - p_b; // b -> c // Normals to planes Vector3 n1 = b1.cross(b2); // plane containing i-a-b Vector3 n2 = b2.cross(b3); // plane containing a-b-c Real n1_norm = n1.norm(); Real n2_norm = n2.norm(); if (n1_norm > 1e-8 && n2_norm > 1e-8) { n1 = n1 / n1_norm; n2 = n2 / n2_norm; Real cos_dihedral = n1.dot(n2); // Clamp to avoid numerical issues cos_dihedral = std::clamp(cos_dihedral, -1.0, 1.0); // Determine sign using triple product Real sign = (n1.cross(n2)).dot(b2); coord.dihedral = std::acos(cos_dihedral) * RAD_TO_DEG; if (sign < 0) { coord.dihedral = -coord.dihedral; } } else { // Atoms are collinear coord.dihedral = 0.0; } } } } internalCoords[i] = coord; } return internalCoords; } } // end namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/internalcoordinates.h000066400000000000000000000020451516317240700264450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_INTERNALCOORDINATES_H #define AVOGADRO_CORE_INTERNALCOORDINATES_H #include "avogadrocore.h" #include "array.h" #include "molecule.h" #include "vector.h" namespace Avogadro { namespace Core { /** A simple struct to define internal / z-matrix coordinates. */ struct InternalCoordinate { Index a = MaxIndex; Index b = MaxIndex; Index c = MaxIndex; Real length = 0.0; Real angle = 0.0; Real dihedral = 0.0; }; AVOGADROCORE_EXPORT Array internalToCartesian( const Molecule& molecule, const Array& internalCoords); AVOGADROCORE_EXPORT Array cartesianToInternal( const Molecule& molecule); } // namespace Core } // namespace Avogadro #endif // AVOGADRO_CORE_INTERNALCOORDINATES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/layer.cpp000066400000000000000000000050551516317240700240510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "layer.h" #include namespace Avogadro::Core { void Layer::addAtom(size_t layer) { addAtom(layer, m_atomAndLayers.size()); } void Layer::addAtom(size_t layer, Index atom) { assert(layer <= m_maxLayer); if (atom == m_atomAndLayers.size()) { m_atomAndLayers.push_back(layer); } else if (atom > m_atomAndLayers.size()) { m_atomAndLayers.resize(layer + 1, MaxIndex); m_atomAndLayers[atom] = layer; } else { m_atomAndLayers[atom] = layer; } } void Layer::addAtomToActiveLayer(Index atom) { addAtom(m_activeLayer, atom); } void Layer::setActiveLayer(size_t layer) { assert(layer <= m_maxLayer + 1); m_activeLayer = layer; } void Layer::removeAtom(Index atom) { m_atomAndLayers.swapAndPop(atom); } void Layer::addLayer() { ++m_maxLayer; } void Layer::addLayer(size_t layer) { assert(layer <= m_maxLayer + 1); for (auto& atomLayer : m_atomAndLayers) { if (atomLayer >= layer) { ++atomLayer; } } ++m_maxLayer; } size_t Layer::getLayerID(Index atom) const { if (atom >= m_atomAndLayers.size()) { return MaxIndex; } else { return m_atomAndLayers[atom]; } } void Layer::clear() { m_atomAndLayers.clear(); m_activeLayer = m_maxLayer = 0; } void Layer::resize(size_t count) { if (count == m_atomAndLayers.size()) return; if (count < m_atomAndLayers.size()) { m_atomAndLayers.resize(count); } else { // Default new atoms to the active layer m_atomAndLayers.resize(count, m_activeLayer); } } size_t Layer::activeLayer() const { return m_activeLayer; } size_t Layer::maxLayer() const { return m_maxLayer; } size_t Layer::atomCount() const { return m_atomAndLayers.size(); } void Layer::removeLayer(size_t layer) { assert(layer <= m_maxLayer); if (m_maxLayer >= 1) { for (auto it = m_atomAndLayers.begin(); it != m_atomAndLayers.end();) { if (*it == layer) { it = m_atomAndLayers.erase(it); } else { if (*it > layer) { --(*it); } ++it; } } --m_maxLayer; } } void Layer::swapLayer(Index a, Index b) { // Allow Argument Dependent Lookup for swap using std::swap; swap(m_atomAndLayers[a], m_atomAndLayers[b]); } size_t Layer::layerCount() const { return m_maxLayer + 1; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/layer.h000066400000000000000000000037761516317240700235260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_LAYER_H #define AVOGADRO_CORE_LAYER_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { /** * @class Layer layer.h * @brief The Layer class represents a relation one to one between atoms ID * and layer ID, and stores the unique active layer. * Layer's ID are consecutively and there can't be a ID bigger than @p * m_maxLayer. */ class AVOGADROCORE_EXPORT Layer { public: Layer() = default; ~Layer() = default; // att atom to param layer void addAtom(size_t layer); void addAtom(size_t layer, Index atom); void addAtomToActiveLayer(Index atom); void removeAtom(Index atom); void removeLayer(size_t layer); /** @return the layer ID from the @p atom. */ size_t getLayerID(Index atom) const; /** @return the active Layer. */ size_t activeLayer() const; /** @return the maximum layer allowed. */ size_t maxLayer() const; /** @return the number of layers. */ size_t layerCount() const; /** @return The number of atoms. */ size_t atomCount() const; /** remove all IDs. */ void clear(); /** resize the atom-layer array to @p count atoms, removing any excess. */ void resize(size_t count); /** increase the maximum layer allowed .*/ void addLayer(); /** insert a layer at @p layer, equal or bigger previous layers will be * shifted. */ void addLayer(size_t layer); /** change @p m_activeLayer. */ void setActiveLayer(size_t layer); /** swap the layer ID from @p a and @p b. */ void swapLayer(Index a, Index b); private: Core::Array m_atomAndLayers; size_t m_activeLayer = 0; size_t m_maxLayer = 0; }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/layermanager.cpp000066400000000000000000000051321516317240700254000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "layermanager.h" #include namespace Avogadro::Core { using std::make_shared; using std::map; using std::shared_ptr; const Molecule* LayerManager::m_activeMolecule = nullptr; map> LayerManager::m_molToInfo; Layer& LayerManager::getMoleculeLayer() { assert(m_activeMolecule != nullptr); auto it = m_molToInfo.find(m_activeMolecule); assert(it != m_molToInfo.end()); return it->second->layer; } Layer& LayerManager::getMoleculeLayer(const Molecule* mol) { assert(mol != nullptr); auto it = m_molToInfo.find(mol); if (it == m_molToInfo.end()) { m_molToInfo[mol] = make_shared(mol); } return m_molToInfo[mol]->layer; } shared_ptr LayerManager::getMoleculeInfo() { assert(m_activeMolecule != nullptr); return m_molToInfo[m_activeMolecule]; } shared_ptr LayerManager::getMoleculeInfo(const Molecule* mol) { assert(mol != nullptr); auto it = m_molToInfo.find(mol); if (it == m_molToInfo.end()) { m_molToInfo[mol] = make_shared(mol); } return m_molToInfo[mol]; } Layer& LayerManager::getMoleculeLayer(const Molecule* original, const Molecule* copy) { assert(original != nullptr); assert(copy != nullptr); auto it = m_molToInfo.find(original); if (it == m_molToInfo.end()) { auto molecule = make_shared(original); m_molToInfo[original] = molecule; m_molToInfo[copy] = molecule; return m_molToInfo[original]->layer; } else { m_molToInfo[copy] = it->second; return it->second->layer; } } void LayerManager::deleteMolecule(const Molecule* mol) { assert(mol != nullptr); auto aux = m_molToInfo.find(mol); if (aux != m_molToInfo.end()) { auto id = aux->second->mol; if (id == mol) { auto it = m_molToInfo.begin(); while (it != m_molToInfo.end()) { if (id == it->second->mol) { it = m_molToInfo.erase(it); } else { ++it; } } } else { if (m_activeMolecule == mol) { m_activeMolecule = aux->second->mol; } m_molToInfo.erase(aux); } } } size_t LayerManager::layerCount() { assert(m_activeMolecule != nullptr); return m_molToInfo[m_activeMolecule]->layer.maxLayer() + 1; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/layermanager.h000066400000000000000000000063231516317240700250500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_LAYERMANAGER_H #define AVOGADRO_CORE_LAYERMANAGER_H #include "avogadrocoreexport.h" #include "array.h" #include "layer.h" #include #include #include #include #include #include namespace Avogadro::Core { class Molecule; /** * @class LayerData layermanager.h * @brief Interface to store layer data structure. */ struct LayerData { LayerData(std::string save = "") { deserialize(save); } /** save custom data, base save should never be called */ virtual std::string serialize() { return ""; } /** load the saved @p save data and wait to know the class type to recreate it */ virtual void deserialize(std::string save) { m_save = save; } virtual ~LayerData() = default; virtual LayerData* clone() { return new LayerData(serialize()); }; /** get the saved data */ std::string getSave() const { return m_save; } protected: std::string boolToString(bool b) { return b ? "true" : "false"; } bool stringToBool(std::string b) { return b == "true"; } std::string m_save; }; /** * @class MoleculeInfo layermanager.h * @brief All layer dependent data. Original molecule @p mol, is layer hidden * @p visible, accepts edits @p locked, and key-value data like @p enable, * and custom data @p settings. */ struct MoleculeInfo { const Molecule* mol; std::vector visible; std::vector locked; std::map> enable; std::map> settings; Layer layer; std::set loaded; MoleculeInfo(const Molecule* m) : mol(m) { locked.push_back(false); visible.push_back(true); } void clear() { visible.clear(); locked.clear(); enable.clear(); layer.clear(); } }; /** * @class LayerManager layermanager.h * @brief */ class AVOGADROCORE_EXPORT LayerManager { public: /** @return active molecule Layer */ static Layer& getMoleculeLayer(); /** @return Layer from @p mol and creates MoleculeInfo if not exists */ static Layer& getMoleculeLayer(const Molecule* mol); /** @return Layer from @p original and links @p original MoleculeInfo to @p * copy */ static Layer& getMoleculeLayer(const Molecule* original, const Molecule* copy); /** @return the MoleculeInfo from active molecule */ static std::shared_ptr getMoleculeInfo(); /** @return the MoleculeInfo from @p mol */ static std::shared_ptr getMoleculeInfo(const Molecule* mol); /** remove all data related to @p mol */ static void deleteMolecule(const Molecule* mol); /** @return the layer quantity from activeMolecule */ static size_t layerCount(); protected: static const Molecule* m_activeMolecule; static std::map> m_molToInfo; }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/matrix.h000066400000000000000000000016361516317240700237070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MATRIX_H #define AVOGADRO_CORE_MATRIX_H #include "avogadrocore.h" #include namespace Avogadro { /** Typedefs for vector types. */ using Matrix2 = Eigen::Matrix; using Matrix3 = Eigen::Matrix; using Matrix4 = Eigen::Matrix; using MatrixX = Eigen::Matrix; using Matrix2f = Eigen::Matrix; using Matrix3f = Eigen::Matrix; using Matrix4f = Eigen::Matrix; using MatrixXf = Eigen::Matrix; } // namespace Avogadro #endif // AVOGADRO_CORE_MATRIX_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/mdlvalence_p.h000066400000000000000000000321071516317240700250310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MDLVALENCE_P_H #define AVOGADRO_CORE_MDLVALENCE_P_H namespace Avogadro::Core { /** * Calculate the full valency (e.g. number of expected bonds) for a given atom. * This function is adapted from the MDL valence model to indicate when an atom * is overbonded. * @param atomicNumber Atomic number of atom. * @param charge Formal charge of atom. * @param numBonds Number of existing bonds to atom. * @return The total number of expected bonds to the atom to satisfy valency. * May be less than @a numBonds if atom is overbonded. */ static unsigned int atomValence(const unsigned char atomicNumber, const int charge, const unsigned int numBonds) { switch (atomicNumber) { case 1: // H case 3: // Li case 11: // Na case 19: // K case 37: // Rb case 55: // Cs case 87: // Fr if (charge == 0) return 1; break; case 4: // Be case 12: // Mg case 20: // Ca case 38: // Sr case 56: // Ba case 88: // Ra switch (charge) { case 0: return 2; case 1: return 1; } break; case 5: // B switch (charge) { case -4: return 1; case -3: return 2; case -2: if (numBonds <= 3) return 3; return 5; case -1: return 4; case 0: return 3; case 1: return 2; case 2: return 1; } break; case 6: // C switch (charge) { case -3: return 1; case -2: return 2; case -1: if (numBonds <= 3) return 3; return 5; case 0: return 4; case 1: return 3; case 2: return 2; case 3: return 1; } break; case 7: // N switch (charge) { case -2: return 1; case -1: return 2; case 0: if (numBonds != 5) return 3; return 5; case 1: return 4; case 2: return 3; case 3: return 2; case 4: return 1; } break; case 8: // O switch (charge) { case -1: return 1; case 0: return 2; case 1: if (numBonds <= 3) return 3; return 5; case 2: return 4; case 3: return 3; case 4: return 2; case 5: return 1; } break; case 9: // F switch (charge) { case 0: return 1; case 1: return 2; case 2: if (numBonds <= 3) return 3; return 5; case 3: return 4; case 4: return 3; case 5: return 2; case 6: return 1; } break; case 13: // Al switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: return 4; case 0: return 3; case 1: return 2; case 2: return 1; } break; case 14: // Si switch (charge) { case -3: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -2: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -1: if (numBonds <= 3) return 3; return 5; case 0: return 4; case 1: return 3; case 2: return 2; case 3: return 1; } break; case 15: // P switch (charge) { case -2: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 0: if (numBonds <= 3) return 3; return 5; case 1: return 4; case 2: return 3; case 3: return 2; case 4: return 1; } break; case 16: // S switch (charge) { case -1: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 0: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 1: if (numBonds <= 3) return 3; return 5; case 2: return 4; case 3: return 3; case 4: return 2; case 5: return 1; } break; case 17: // Cl switch (charge) { case 0: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 2: if (numBonds <= 3) return 3; return 5; case 3: return 4; case 4: return 3; case 5: return 2; case 6: return 1; } break; case 31: // Ga switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: return 4; case 0: return 3; case 2: return 1; } break; case 32: // Ge switch (charge) { case -3: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -2: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -1: if (numBonds <= 3) return 3; return 5; case 0: return 4; case 1: return 3; case 3: return 1; } break; case 33: // As switch (charge) { case -2: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 0: if (numBonds <= 3) return 3; return 5; case 1: return 4; case 2: return 3; case 4: return 1; } break; case 34: // Se switch (charge) { case -1: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 0: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 1: if (numBonds <= 3) return 3; return 5; case 2: return 4; case 3: return 3; case 5: return 1; } break; case 35: // Br switch (charge) { case 0: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 2: if (numBonds <= 3) return 3; return 5; case 3: return 4; case 4: return 3; case 6: return 1; } break; case 49: // In switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: if (numBonds <= 2) return 2; return 4; case 0: return 3; case 2: return 1; } break; case 50: // Sn case 82: // Pb switch (charge) { case -3: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -2: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -1: if (numBonds <= 3) return 3; return 5; case 0: if (numBonds <= 2) return 2; return 4; case 1: return 3; case 3: return 1; } break; case 51: // Sb case 83: // Bi switch (charge) { case -2: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 0: if (numBonds <= 3) return 3; return 5; case 1: if (numBonds <= 2) return 2; return 4; case 2: return 3; case 4: return 1; } break; case 52: // Te case 84: // Po switch (charge) { case -1: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 0: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 1: if (numBonds <= 3) return 3; return 5; case 2: if (numBonds <= 2) return 2; return 4; case 3: return 3; case 5: return 1; } break; case 53: // I case 85: // At switch (charge) { case 0: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 2: if (numBonds <= 3) return 3; return 5; case 3: if (numBonds <= 2) return 2; return 4; case 4: return 3; case 6: return 1; } break; case 81: // Tl switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: if (numBonds <= 2) return 2; return 4; case 0: if (numBonds <= 1) return 1; return 3; } break; } return numBonds; } } // end namespace Avogadro::Core #endif // AVOGADRO_CORE_MDLVALENCE_P_HOpenChemistry-avogadrolibs-ceb949f/avogadro/core/mesh.cpp000066400000000000000000000137431516317240700236740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mesh.h" #include "mutex.h" #include "neighborperceiver.h" namespace Avogadro::Core { Mesh::Mesh() : m_stable(true), m_other(0), m_cube(0), m_lock(new Mutex) { m_vertices.reserve(100); m_normals.reserve(100); m_colors.reserve(1); } Mesh::Mesh(const Mesh& other) : m_vertices(other.m_vertices), m_normals(other.m_normals), m_colors(other.m_colors), m_triangles(other.m_triangles), m_name(other.m_name), m_stable(true), m_isoValue(other.m_isoValue), m_other(other.m_other), m_cube(other.m_cube), m_lock(new Mutex) { } Mesh::~Mesh() { delete m_lock; m_lock = nullptr; } bool Mesh::reserve(unsigned int size, bool useColors) { m_vertices.reserve(size); m_normals.reserve(size); if (useColors) m_colors.reserve(size); return true; } void Mesh::setStable(bool isStable) { m_stable = isStable; } bool Mesh::stable() { return m_stable; } const Core::Array& Mesh::vertices() const { return m_vertices; } const Vector3f* Mesh::vertex(int n) const { return &(m_vertices[n * 3]); } bool Mesh::setTriangles(const Core::Array& values) { m_triangles.clear(); m_triangles = values; return true; } const Core::Array& Mesh::triangles() const { return m_triangles; } bool Mesh::setVertices(const Core::Array& values) { m_vertices.clear(); m_vertices = values; return true; } bool Mesh::addVertices(const Core::Array& values) { if (m_vertices.capacity() < m_vertices.size() + values.size()) m_vertices.reserve(m_vertices.capacity() * 2); if (values.size() % 3 == 0) { for (const auto& value : values) m_vertices.push_back(value); return true; } else { return false; } } const Core::Array& Mesh::normals() const { return m_normals; } const Vector3f* Mesh::normal(int n) const { return &(m_normals[n * 3]); } bool Mesh::setNormals(const Core::Array& values) { m_normals.clear(); m_normals = values; return true; } bool Mesh::addNormals(const Core::Array& values) { if (m_normals.capacity() < m_normals.size() + values.size()) m_normals.reserve(m_normals.capacity() * 2); if (values.size() % 3 == 0) { for (const auto& value : values) m_normals.push_back(value); return true; } else { return false; } } const Core::Array& Mesh::colors() const { return m_colors; } const Color3f* Mesh::color(int n) const { // If there is only one color return that, otherwise colored by vertex. if (m_colors.size() == 1) return m_colors.data(); else return &(m_colors[n * 3]); } bool Mesh::setColors(const Core::Array& values) { m_colors.clear(); m_colors = values; return true; } bool Mesh::addColors(const Core::Array& values) { if (m_colors.capacity() < m_colors.size() + values.size()) m_colors.reserve(m_colors.capacity() * 2); if (values.size() % 3 == 0) { for (auto value : values) m_colors.push_back(value); return true; } else { return false; } } bool Mesh::valid() const { return (m_vertices.size() == m_normals.size()) && (m_colors.size() == 1 || m_colors.size() == m_vertices.size()); } bool Mesh::clear() { m_vertices.clear(); m_normals.clear(); m_colors.clear(); return true; } Mesh& Mesh::operator=(const Mesh& other) { m_vertices = other.m_vertices; m_normals = other.m_normals; m_colors = other.m_colors; m_name = other.m_name; m_isoValue = other.m_isoValue; m_triangles = other.m_triangles; return *this; } void Mesh::smooth(int iterationCount) { if (m_vertices.empty() || iterationCount <= 0) return; // Build vertex adjacency information from triangles (1-ring) std::vector> adjacencyList(m_vertices.size()); for (const auto& tri : m_triangles) { size_t i = static_cast(tri.x()); size_t j = static_cast(tri.y()); size_t k = static_cast(tri.z()); adjacencyList[i].push_back(j); adjacencyList[i].push_back(k); adjacencyList[j].push_back(i); adjacencyList[j].push_back(k); adjacencyList[k].push_back(i); adjacencyList[k].push_back(j); } // Remove duplicate neighbors and sort for faster lookups later (if needed) for (auto& neighbors : adjacencyList) { std::sort(neighbors.begin(), neighbors.end()); neighbors.erase(std::unique(neighbors.begin(), neighbors.end()), neighbors.end()); } float weight = 1.0f; for (int iteration = 0; iteration < iterationCount; ++iteration) { Array newVertices = m_vertices; // Store smoothed vertices for (size_t i = 0; i < m_vertices.size(); ++i) { Vector3f sum(0.0f, 0.0f, 0.0f); size_t neighborCount = adjacencyList[i].size(); if (neighborCount > 0) { // Prevent division by zero for isolated vertices for (size_t neighbor : adjacencyList[i]) { sum += m_vertices[neighbor]; } sum += weight * m_vertices[i]; newVertices[i] = sum / (weight + neighborCount); } // Else keep the original vertex position if isolated } m_vertices = newVertices; // Update vertices after processing all } m_normals.clear(); m_normals.resize(m_vertices.size(), Vector3f(0.0f, 0.0f, 0.0f)); for (const auto& tri : m_triangles) { size_t i = static_cast(tri.x()); size_t j = static_cast(tri.y()); size_t k = static_cast(tri.z()); Vector3f a = m_vertices[i]; Vector3f b = m_vertices[j]; Vector3f c = m_vertices[k]; Vector3f triangleNormal = (b - a).cross(c - a).normalized(); m_normals[i] += triangleNormal; m_normals[j] += triangleNormal; m_normals[k] += triangleNormal; } for (auto& normal : m_normals) { normal.normalize(); } } } // End namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/mesh.h000066400000000000000000000136661516317240700233450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MESH_H #define AVOGADRO_CORE_MESH_H #include "avogadrocoreexport.h" #include "array.h" #include "color3f.h" #include "vector.h" namespace Avogadro::Core { class Molecule; class Mutex; /** * @class Mesh mesh.h * @brief Encapsulation of a triangular mesh that makes up a surface. * @author Marcus D. Hanwell * * The Mesh class is a data container that provides a Mesh object. All * meshes should be owned by a Molecule. It should also be removed by the * Molecule that owns it. Meshes encapsulate triangular meshes that can also * have colors associated with each vertex. */ class MeshPrivate; class AVOGADROCORE_EXPORT Mesh { public: /** * Constructor. */ Mesh(); /** * Copy constructor */ Mesh(const Mesh& other); /** * Destructor. */ ~Mesh(); /** * Reserve the expected space for the mesh. This causes all member array * storage to call the reserve function with the number specified. * @param size Expected size of the mesh. * @param colors Should the colors array reserve this space too? Defaults * to false. * @return True on success. */ bool reserve(unsigned int size, bool colors = false); /** * This function allows long running calculations to mark the mesh as in * progress. * @param stable Indicate that the Mesh is currently being modified. */ void setStable(bool stable); /** * Indicate whether the Mesh is complete or currently being modified. In * general using Mesh values from an unstable Mesh is not advisable. * @return True if the Mesh is complete, false if it is being modified. */ bool stable(); /** * Set the iso value that was used to generate the Mesh. */ void setIsoValue(float value) { m_isoValue = value; } /** * @return The iso value used to generate the Mesh. */ float isoValue() const { return m_isoValue; } /** * Set the unique id of the other Mesh if this Mesh is part of a pair. */ void setOtherMesh(unsigned int other) { m_other = other; } /** * @return The unique id of the other Mesh if this is part of a pair. */ unsigned int otherMesh() const { return m_other; } /** * Set the unique id of the Cube the Mesh was generated from. */ void setCube(unsigned int cube_) { m_cube = cube_; } /** * @return The unique id of the Cube the Mesh was generated from. */ unsigned int cube() const { return m_cube; } /** * @return Array containing all of the vertices in a one dimensional array. */ const Core::Array& vertices() const; /** * @return The number of vertices. */ unsigned int numVertices() const { return static_cast(m_vertices.size()); } /** * @return Pointer to the first vertex of the specified triangle. */ const Vector3f* vertex(int n) const; bool setTriangles(const Core::Array& values); const Core::Array& triangles() const; /** * Clear the vertices vector and assign new values. */ bool setVertices(const Core::Array& values); /** * Add one or more vertices, i.e., the array is expected to be of length * 3 x n where n is an integer. */ bool addVertices(const Core::Array& values); /** * @return Array containing all of the normals in a one-dimensional array. */ const Core::Array& normals() const; /** * @return The number of normals. */ unsigned int numNormals() const { return static_cast(m_normals.size()); } /** * @return Pointer to the first normal of the specified triangle. */ const Vector3f* normal(int n) const; /** * Clear the normals array and assign new values. */ bool setNormals(const Core::Array& values); /** * Add one or more normals, i.e., the array is expected to be of length * 3 x n where n is an integer. */ bool addNormals(const Core::Array& values); /** * @return Array containing all of the colors in a one-dimensional array. */ const Core::Array& colors() const; /** * @return Pointer to the first color of the specified triangle. */ const Color3f* color(int n) const; /** * Clear the colors array and assign new values. */ bool setColors(const Core::Array& values); /** * Add one or more normals, i.e., the array is expected to be of length * 3 x n where n is an integer. */ bool addColors(const Core::Array& values); /** * Sanity checking function - is the mesh sane? * @return True if the Mesh object is sane and composed of the right number * of elements. */ bool valid() const; /** * Clear all mesh data. * @return True on success. */ bool clear(); /** * Overloaded operator. */ Mesh& operator=(const Mesh& other); /** * Set the name of the Mesh. */ void setName(const std::string& name_) { m_name = name_; } /** * @return The name of the Mesh. */ std::string name() const { return m_name; } /** * Provides locking. */ Mutex* lock() const { return m_lock; } /** * Applies Laplacian smoothing. * @param iterationCount number of smoothing passes to make. */ void smooth(int iterationCount = 6); friend class Molecule; private: Core::Array m_vertices; Core::Array m_normals; Core::Array m_colors; Core::Array m_triangles; std::string m_name; bool m_stable; float m_isoValue; unsigned int m_other; // Unique id of the other mesh if this is part of a pair unsigned int m_cube; // Unique id of the cube this mesh was generated from Mutex* m_lock; }; } // End namespace Avogadro::Core #endif // AVOGADRO_CORE_MESH_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/molecule.cpp000066400000000000000000001417701516317240700245470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecule.h" #include "basisset.h" #include "cube.h" #include "elements.h" #include "gaussianset.h" #include "layermanager.h" #include "mdlvalence_p.h" #include "mesh.h" #include "neighborperceiver.h" #include "residue.h" #include "slaterset.h" #include "unitcell.h" #include #include #include #include #include #include #include namespace Avogadro::Core { Molecule::Molecule() : m_basisSet(nullptr), m_unitCell(nullptr), m_layers(LayerManager::getMoleculeLayer(this)) { m_elements.reset(); } Molecule::Molecule(const Molecule& other) : m_data(other.m_data), m_partialCharges(other.m_partialCharges), m_spectra(other.m_spectra), m_customElementMap(other.m_customElementMap), m_elements(other.m_elements), m_positions2d(other.m_positions2d), m_positions3d(other.m_positions3d), m_atomLabels(other.m_atomLabels), m_bondLabels(other.m_bondLabels), m_residueLabels(other.m_residueLabels), m_coordinates3d(other.m_coordinates3d), m_velocities(other.m_velocities), m_timesteps(other.m_timesteps), m_hybridizations(other.m_hybridizations), m_formalCharges(other.m_formalCharges), m_isotopes(other.m_isotopes), m_forceVectors(other.m_forceVectors), m_colors(other.m_colors), m_vibrationFrequencies(other.m_vibrationFrequencies), m_vibrationIRIntensities(other.m_vibrationIRIntensities), m_vibrationRamanIntensities(other.m_vibrationRamanIntensities), m_vibrationLx(other.m_vibrationLx), m_selectedAtoms(other.m_selectedAtoms), m_meshes(), m_cubes(), m_basisSet(other.m_basisSet ? other.m_basisSet->clone() : nullptr), m_unitCell(other.m_unitCell ? new UnitCell(*other.m_unitCell) : nullptr), m_residues(other.m_residues), m_hallNumber(other.m_hallNumber), m_constraints(other.m_constraints), m_frozenAtomMask(other.m_frozenAtomMask), m_graph(other.m_graph), m_bondOrders(other.m_bondOrders), m_atomicNumbers(other.m_atomicNumbers), m_layers(LayerManager::getMoleculeLayer(&other, this)) { // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { Mesh* m = addMesh(); *m = *other.mesh(i); } // Copy over any cubes for (Index i = 0; i < other.cubeCount(); ++i) { Cube* c = addCube(); *c = *other.cube(i); } m_activeCubeIndex = other.m_activeCubeIndex; // Make sure all the atoms are in the active layer if (other.m_layers.maxLayer() == 0) { for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } void Molecule::readProperties(const Molecule& other) { m_atomLabels = other.m_atomLabels; m_bondLabels = other.m_bondLabels; m_residueLabels = other.m_residueLabels; m_colors = other.m_colors; // merge data maps by iterating through other's map for (auto it = other.m_data.constBegin(); it != other.m_data.constEnd(); ++it) { // even if we have the same key, we want to overwrite m_data.setValue(it->first, it->second); } // merge partial charge maps for (auto it = other.m_partialCharges.cbegin(); it != other.m_partialCharges.cend(); ++it) { m_partialCharges[it->first] = it->second; } // copy spectra m_spectra = other.m_spectra; // copy orbital information SlaterSet* slaterSet = dynamic_cast(other.m_basisSet); if (slaterSet != nullptr) { m_basisSet = slaterSet->clone(); m_basisSet->setMolecule(this); } GaussianSet* gaussianSet = dynamic_cast(other.m_basisSet); if (gaussianSet != nullptr) { m_basisSet = gaussianSet->clone(); m_basisSet->setMolecule(this); } // copy over spectra information if (other.m_vibrationFrequencies.size() > 0) { m_vibrationFrequencies = other.m_vibrationFrequencies; m_vibrationIRIntensities = other.m_vibrationIRIntensities; m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; m_vibrationLx = other.m_vibrationLx; } // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { Mesh* m = addMesh(); *m = *other.mesh(i); } // Copy over any cubes for (Index i = 0; i < other.cubeCount(); ++i) { Cube* c = addCube(); *c = *other.cube(i); } } Molecule::Molecule(Molecule&& other) noexcept : m_data(other.m_data), m_partialCharges(std::move(other.m_partialCharges)), m_spectra(other.m_spectra), m_customElementMap(std::move(other.m_customElementMap)), m_elements(other.m_elements), m_positions2d(other.m_positions2d), m_positions3d(other.m_positions3d), m_atomLabels(other.m_atomLabels), m_bondLabels(other.m_bondLabels), m_residueLabels(other.m_residueLabels), m_coordinates3d(other.m_coordinates3d), m_velocities(other.m_velocities), m_timesteps(other.m_timesteps), m_hybridizations(other.m_hybridizations), m_formalCharges(other.m_formalCharges), m_isotopes(other.m_isotopes), m_colors(other.m_colors), m_vibrationFrequencies(other.m_vibrationFrequencies), m_vibrationIRIntensities(other.m_vibrationIRIntensities), m_vibrationRamanIntensities(other.m_vibrationRamanIntensities), m_vibrationLx(other.m_vibrationLx), m_selectedAtoms(std::move(other.m_selectedAtoms)), m_meshes(std::move(other.m_meshes)), m_cubes(std::move(other.m_cubes)), m_basisSet(std::exchange(other.m_basisSet, nullptr)), m_unitCell(std::exchange(other.m_unitCell, nullptr)), m_residues(other.m_residues), m_hallNumber(other.m_hallNumber), m_constraints(other.m_constraints), m_frozenAtomMask(other.m_frozenAtomMask), m_graph(other.m_graph), m_bondOrders(other.m_bondOrders), m_atomicNumbers(other.m_atomicNumbers), m_layers(LayerManager::getMoleculeLayer(this)) { // Copy the layers, only if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } Molecule& Molecule::operator=(const Molecule& other) { if (this != &other) { m_data = other.m_data; m_partialCharges = other.m_partialCharges; m_spectra = other.m_spectra; m_customElementMap = other.m_customElementMap; m_elements = other.m_elements; m_positions2d = other.m_positions2d; m_positions3d = other.m_positions3d; m_atomLabels = other.m_atomLabels; m_bondLabels = other.m_bondLabels; m_residueLabels = other.m_residueLabels; m_coordinates3d = other.m_coordinates3d; m_velocities = other.m_velocities; m_timesteps = other.m_timesteps; m_hybridizations = other.m_hybridizations; m_formalCharges = other.m_formalCharges; m_isotopes = other.m_isotopes; m_colors = other.m_colors, m_vibrationFrequencies = other.m_vibrationFrequencies; m_vibrationIRIntensities = other.m_vibrationIRIntensities; m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; m_vibrationLx = other.m_vibrationLx; m_selectedAtoms = other.m_selectedAtoms; m_residues = other.m_residues; m_graph = other.m_graph; m_bondOrders = other.m_bondOrders; m_atomicNumbers = other.m_atomicNumbers; m_hallNumber = other.m_hallNumber; m_constraints = other.m_constraints; m_frozenAtomMask = other.m_frozenAtomMask; clearMeshes(); // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { Mesh* m = addMesh(); *m = *other.mesh(i); } clearCubes(); // Copy over any cubes for (Index i = 0; i < other.cubeCount(); ++i) { Cube* c = addCube(); *c = *other.cube(i); } m_activeCubeIndex = other.m_activeCubeIndex; delete m_basisSet; m_basisSet = other.m_basisSet ? other.m_basisSet->clone() : nullptr; delete m_unitCell; m_unitCell = other.m_unitCell ? new UnitCell(*other.m_unitCell) : nullptr; // Copy the layers, only if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } return *this; } Molecule& Molecule::operator=(Molecule&& other) noexcept { if (this != &other) { m_data = other.m_data; m_partialCharges = std::move(other.m_partialCharges); m_spectra = other.m_spectra; m_customElementMap = std::move(other.m_customElementMap); m_elements = other.m_elements; m_positions2d = other.m_positions2d; m_positions3d = other.m_positions3d; m_atomLabels = other.m_atomLabels; m_bondLabels = other.m_bondLabels; m_residueLabels = other.m_residueLabels; m_coordinates3d = other.m_coordinates3d; m_velocities = other.m_velocities; m_timesteps = other.m_timesteps; m_hybridizations = other.m_hybridizations; m_formalCharges = other.m_formalCharges; m_isotopes = other.m_isotopes; m_colors = other.m_colors; m_vibrationFrequencies = other.m_vibrationFrequencies; m_vibrationIRIntensities = other.m_vibrationIRIntensities; m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; m_vibrationLx = other.m_vibrationLx; m_selectedAtoms = std::move(other.m_selectedAtoms); m_residues = other.m_residues; m_graph = other.m_graph; m_bondOrders = other.m_bondOrders; m_atomicNumbers = other.m_atomicNumbers; m_hallNumber = other.m_hallNumber; m_constraints = other.m_constraints; m_frozenAtomMask = other.m_frozenAtomMask; clearMeshes(); m_meshes = std::move(other.m_meshes); clearCubes(); m_cubes = std::move(other.m_cubes); m_activeCubeIndex = other.m_activeCubeIndex; delete m_basisSet; m_basisSet = std::exchange(other.m_basisSet, nullptr); delete m_unitCell; m_unitCell = std::exchange(other.m_unitCell, nullptr); // Copy the layers, if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } return *this; } Molecule::~Molecule() { // LayerManager::deleteMolecule(this); delete m_basisSet; delete m_unitCell; clearMeshes(); clearCubes(); } Layer& Molecule::layer() { return m_layers; } const Layer& Molecule::layer() const { return m_layers; } void Molecule::setPartialCharges(const std::string& type, const MatrixX& value) { if (static_cast(value.size()) != atomCount()) return; m_partialCharges[type] = value; } MatrixX Molecule::partialCharges(const std::string& type) const { auto search = m_partialCharges.find(type); if (search != m_partialCharges.end()) { return search->second; // value from the map } else { MatrixX charges(atomCount(), 1); charges.fill(0.0); return charges; } } std::set Molecule::partialChargeTypes() const { std::set types; for (auto& it : m_partialCharges) types.insert(it.first); return types; } std::set Molecule::spectraTypes() const { std::set types; for (auto& it : m_spectra) types.insert(it.first); return types; } void Molecule::setSpectra(const std::string& type, const MatrixX& value) { m_spectra[type] = value; } MatrixX Molecule::spectra(const std::string& type) const { MatrixX value; auto search = m_spectra.find(type); if (search != m_spectra.end()) { value = search->second; // value from the map } return value; } void Molecule::addConstraint(Real value, Index a, Index b, Index c, Index d) { Constraint newConstraint(a, b, c, d, value); m_constraints.push_back(newConstraint); } void Molecule::removeConstraint(Index a, Index b, Index c, Index d) { // loop through and remove if the constraint matches all atom indexes for (auto it = m_constraints.begin(); it != m_constraints.end();) { if (it->aIndex() == a && it->bIndex() == b && it->cIndex() == c && it->dIndex() == d) { it = m_constraints.erase(it); return; } else ++it; } } void Molecule::setFrozenAtom(Index atomId, bool frozen) { if (atomId >= m_atomicNumbers.size()) return; Eigen::Index size = m_frozenAtomMask.rows(); auto newSize = static_cast(3 * m_atomicNumbers.size()); if (m_frozenAtomMask.rows() != newSize) m_frozenAtomMask.conservativeResize(newSize); if (m_frozenAtomMask.rows() > size) for (Eigen::Index i = size; i < m_frozenAtomMask.rows(); ++i) m_frozenAtomMask[i] = 1.0f; float value = frozen ? 0.0f : 1.0f; auto base = static_cast(atomId * 3); if (base <= m_frozenAtomMask.rows() - 3) { m_frozenAtomMask[base] = value; m_frozenAtomMask[base + 1] = value; m_frozenAtomMask[base + 2] = value; } } bool Molecule::frozenAtom(Index atomId) const { auto base = static_cast(atomId * 3); if (base <= m_frozenAtomMask.rows() - 3) { return (m_frozenAtomMask[base] == 0.0 && m_frozenAtomMask[base + 1] == 0.0 && m_frozenAtomMask[base + 2] == 0.0); } return false; } bool Molecule::frozenAtomAxis(Index atomId, int axis) const { auto base = static_cast(atomId * 3); if (base <= m_frozenAtomMask.rows() - 3) { return (m_frozenAtomMask[base + axis] == 0.0); } return false; } void Molecule::setFrozenAtomAxis(Index atomId, int axis, bool frozen) { Eigen::Index size = m_frozenAtomMask.rows(); auto newSize = static_cast(3 * m_atomicNumbers.size()); if (m_frozenAtomMask.rows() != newSize) m_frozenAtomMask.conservativeResize(newSize); if (m_frozenAtomMask.rows() > size) for (Eigen::Index i = size; i < m_frozenAtomMask.rows(); ++i) m_frozenAtomMask[i] = 1.0f; float value = frozen ? 0.0f : 1.0f; auto base = static_cast(atomId * 3); if (axis >= 0 && axis < 3 && base <= m_frozenAtomMask.rows() - 3) { m_frozenAtomMask[base + axis] = value; } } void Molecule::setData(const std::string& name, const Variant& value) { m_data.setValue(name, value); } Variant Molecule::data(const std::string& name) const { return m_data.value(name); } bool Molecule::hasData(const std::string& name) const { return m_data.hasValue(name); } void Molecule::setDataMap(const VariantMap& map) { m_data = map; } const VariantMap& Molecule::dataMap() const { return m_data; } VariantMap& Molecule::dataMap() { return m_data; } Array& Molecule::hybridizations() { return m_hybridizations; } const Array& Molecule::hybridizations() const { return m_hybridizations; } Array& Molecule::isotopes() { return m_isotopes; } const Array& Molecule::isotopes() const { return m_isotopes; } Array& Molecule::formalCharges() { return m_formalCharges; } const Array& Molecule::formalCharges() const { return m_formalCharges; } signed char Molecule::totalCharge() const { signed char charge = 0; // check the data map first if (m_data.hasValue("totalCharge")) { charge = m_data.value("totalCharge").toInt(); } else if (m_formalCharges.size() > 0) { for (Index i = 0; i < m_formalCharges.size(); ++i) charge += m_formalCharges[i]; return charge; } return charge; // should be zero } char Molecule::totalSpinMultiplicity() const { char spin = 1; // check the data map first if (m_data.hasValue("totalSpinMultiplicity")) { spin = m_data.value("totalSpinMultiplicity").toInt(); } else { // add up the electrons unsigned long electrons = 0; for (Index i = 0; i < m_atomicNumbers.size(); ++i) electrons += m_atomicNumbers[i]; // adjust by the total charge electrons -= totalCharge(); // if there are an even number of electrons, the spin is 1 // if there are an odd number of electrons, the spin is 2 // (might not be true, but a good default for many molecules) // %todo - adjust for inorganic / organometallics if (electrons % 2 == 0) spin = 1; else spin = 2; } return spin; // should be zero } Array& Molecule::colors() { return m_colors; } const Array& Molecule::colors() const { return m_colors; } Array& Molecule::atomPositions2d() { return m_positions2d; } const Array& Molecule::atomPositions2d() const { return m_positions2d; } Array& Molecule::atomPositions3d() { return m_positions3d; } const Array& Molecule::atomPositions3d() const { return m_positions3d; } const Molecule::CustomElementMap& Molecule::customElementMap() const { return m_customElementMap; } void Molecule::setCustomElementMap(const Molecule::CustomElementMap& map) { m_customElementMap = map; } Molecule::AtomType Molecule::addAtom(unsigned char number) { m_graph.addVertex(); m_atomicNumbers.push_back(number); // we're not going to easily handle custom elements if (number < element_count) m_elements.set(number); else m_elements.set(element_count - 1); // custom element m_layers.addAtomToActiveLayer(atomCount() - 1); m_partialCharges.clear(); return AtomType(this, static_cast(atomCount() - 1)); } Molecule::AtomType Molecule::addAtom(unsigned char number, Vector3 position3d) { if (m_positions3d.size() == atomCount()) { m_positions3d.push_back(position3d); } return addAtom(number); // Use virtual dispatch } void Molecule::swapBond(Index a, Index b) { // Allow Argument Dependent Lookup for swap using std::swap; m_graph.swapEdgeIndices(a, b); swap(m_bondOrders[a], m_bondOrders[b]); } void Molecule::swapAtom(Index a, Index b) { // Allow Argument Dependent Lookup for swap using std::swap; Index max = a > b ? a : b; if (m_positions2d.size() > max) swap(m_positions2d[a], m_positions2d[b]); if (m_positions3d.size() > max) swap(m_positions3d[a], m_positions3d[b]); if (m_hybridizations.size() > max) swap(m_hybridizations[a], m_hybridizations[b]); if (m_formalCharges.size() > max) swap(m_formalCharges[a], m_formalCharges[b]); if (m_colors.size() > max) swap(m_colors[a], m_colors[b]); swap(m_atomicNumbers[a], m_atomicNumbers[b]); m_graph.swapVertexIndices(a, b); m_layers.swapLayer(a, b); } bool Molecule::removeAtom(Index index) { if (index >= atomCount()) return false; if (m_positions2d.size() == atomCount()) m_positions2d.swapAndPop(index); if (m_positions3d.size() == atomCount()) m_positions3d.swapAndPop(index); if (m_hybridizations.size() == atomCount()) m_hybridizations.swapAndPop(index); if (m_formalCharges.size() == atomCount()) m_formalCharges.swapAndPop(index); if (m_colors.size() == atomCount()) m_colors.swapAndPop(index); if (m_selectedAtoms.size() == atomCount()) { // swap and pop on std::vector if (index != m_selectedAtoms.size() - 1) { m_selectedAtoms[index] = m_selectedAtoms.back(); } m_selectedAtoms.pop_back(); } m_partialCharges.clear(); removeBonds(index); // before we remove, check if there's any other atom of this element // (e.g., we removed the last oxygen) auto elementToRemove = m_atomicNumbers[index]; bool foundAnother = false; for (Index i = 0; i < atomCount(); ++i) { if (i == index) continue; if (m_atomicNumbers[index] == elementToRemove) { foundAnother = true; break; // we're done } } if (!foundAnother) m_elements.reset(elementToRemove); m_atomicNumbers.swapAndPop(index); m_graph.removeVertex(index); m_layers.removeAtom(index); return true; } bool Molecule::removeAtom(const AtomType& atom_) { return removeAtom(atom_.index()); } void Molecule::clearAtoms() { m_positions2d.clear(); m_positions3d.clear(); m_atomLabels.clear(); m_hybridizations.clear(); m_formalCharges.clear(); m_colors.clear(); m_atomicNumbers.clear(); m_bondOrders.clear(); m_bondLabels.clear(); m_residueLabels.clear(); m_graph.clear(); m_partialCharges.clear(); m_elements.reset(); } Molecule::AtomType Molecule::atom(Index index) const { assert(index < atomCount()); return AtomType(const_cast(this), index); } Molecule::BondType Molecule::addBond(Index atom1, Index atom2, unsigned char order) { assert(atom1 < m_atomicNumbers.size()); assert(atom2 < m_atomicNumbers.size()); Index index = bond(atom1, atom2).index(); if (index >= bondCount()) { m_graph.addEdge(atom1, atom2); m_bondOrders.push_back(order); index = static_cast(m_graph.edgeCount() - 1); } else { m_bondOrders[index] = order; } // any existing charges are invalidated m_partialCharges.clear(); return BondType(this, index); } Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, unsigned char order) { assert(a.isValid() && a.molecule() == this); assert(b.isValid() && b.molecule() == this); return addBond(a.index(), b.index(), order); } size_t calcNlogN(size_t n) { size_t aproxLog = 1; auto aux = static_cast(n); while (aux > 2.0f) { aux /= 2.0f; ++aproxLog; } return n * aproxLog; } bool Molecule::removeBond(Index index) { if (index >= bondCount()) return false; m_graph.removeEdge(index); m_bondOrders.swapAndPop(index); m_partialCharges.clear(); return true; } bool Molecule::removeBond(const BondType& bond_) { return removeBond(bond_.index()); } bool Molecule::removeBond(Index a, Index b) { return removeBond(bond(a, b).index()); } bool Molecule::removeBond(const AtomType& a, const AtomType& b) { return removeBond(bond(a, b).index()); } void Molecule::clearBonds() { m_bondOrders.clear(); m_graph.removeEdges(); m_graph.setSize(atomCount()); m_partialCharges.clear(); } Molecule::BondType Molecule::bond(Index index) const { assert(index < bondCount()); return BondType(const_cast(this), index); } Molecule::BondType Molecule::bond(const AtomType& a, const AtomType& b) const { assert(a.isValid() && a.molecule() == this); assert(b.isValid() && b.molecule() == this); return bond(a.index(), b.index()); } Molecule::BondType Molecule::bond(Index atomId1, Index atomId2) const { assert(atomId1 < atomCount()); assert(atomId2 < atomCount()); const std::vector& edgeIndices = m_graph.edges(atomId1); for (unsigned long index : edgeIndices) { const std::pair& pair = m_graph.endpoints(index); if (pair.first == atomId2 || pair.second == atomId2) return BondType(const_cast(this), index); } return BondType(); } Array Molecule::bonds(const AtomType& a) { if (!a.isValid()) return Array(); return bonds(a.index()); } Array Molecule::bonds(Index a) const { Array atomBonds; if (a < atomCount()) { const std::vector& edgeIndices = m_graph.edges(a); for (unsigned long index : edgeIndices) { if (m_graph.endpoints(index).first == a || m_graph.endpoints(index).second == a) { // work around to consult bonds without breaking constantness atomBonds.push_back(new BondType(const_cast(this), index)); } } } std::sort(atomBonds.begin(), atomBonds.end(), [](const BondType*& ba, const BondType*& bb) { return ba->index() < bb->index(); }); return atomBonds; } Array Molecule::bonds(Index a) { Array atomBonds; if (a < atomCount()) { const std::vector& edgeIndices = m_graph.edges(a); for (unsigned long index : edgeIndices) { auto bond = bondPair(index); if (bond.first == a || bond.second == a) atomBonds.push_back(BondType(this, index)); } } std::sort(atomBonds.begin(), atomBonds.end(), [](BondType& ba, BondType& bb) { return ba.index() < bb.index(); }); return atomBonds; } Mesh* Molecule::addMesh() { m_meshes.push_back(new Mesh); return m_meshes.back(); } Mesh* Molecule::mesh(Index index) { if (index < static_cast(m_meshes.size())) return m_meshes[index]; else return nullptr; } const Mesh* Molecule::mesh(Index index) const { if (index < static_cast(m_meshes.size())) return m_meshes[index]; else return nullptr; } void Molecule::clearMeshes() { while (!m_meshes.empty()) { delete m_meshes.back(); m_meshes.pop_back(); } } Cube* Molecule::addCube() { m_cubes.push_back(new Cube); return m_cubes.back(); } Cube* Molecule::cube(Index index) { if (index < static_cast(m_cubes.size())) return m_cubes[index]; else return nullptr; } const Cube* Molecule::cube(Index index) const { if (index < static_cast(m_cubes.size())) return m_cubes[index]; else return nullptr; } void Molecule::clearCubes() { while (!m_cubes.empty()) { delete m_cubes.back(); m_cubes.pop_back(); } m_activeCubeIndex = 0; } bool Molecule::setActiveCubeIndex(Index index) { if (index < static_cast(m_cubes.size())) { m_activeCubeIndex = index; return true; } return false; } Cube* Molecule::activeCube() { if (m_activeCubeIndex < static_cast(m_cubes.size())) return m_cubes[m_activeCubeIndex]; else if (!m_cubes.empty()) return m_cubes[0]; return nullptr; } const Cube* Molecule::activeCube() const { if (m_activeCubeIndex < static_cast(m_cubes.size())) return m_cubes[m_activeCubeIndex]; else if (!m_cubes.empty()) return m_cubes[0]; return nullptr; } std::string Molecule::formula(const std::string& delimiter, int over) const { // A map of element symbols (including isotopes) to their quantity. std::map componentsCount = formulaComposition(); std::stringstream result; std::map::iterator iter; // Carbons first iter = componentsCount.find("C"); if (iter != componentsCount.end()) { result << "C"; if (iter->second > static_cast(over)) result << delimiter << iter->second; componentsCount.erase(iter); // If carbon is present, hydrogens are next (including D and T). iter = componentsCount.find("H"); if (iter != componentsCount.end()) { result << delimiter << "H"; if (iter->second > static_cast(over)) result << delimiter << iter->second; componentsCount.erase(iter); } iter = componentsCount.find("D"); if (iter != componentsCount.end()) { result << delimiter << "D"; if (iter->second > static_cast(over)) result << delimiter << iter->second; componentsCount.erase(iter); } iter = componentsCount.find("T"); if (iter != componentsCount.end()) { result << delimiter << "T"; if (iter->second > static_cast(over)) result << delimiter << iter->second; componentsCount.erase(iter); } } // The rest (alphabetically, since std::map sorts by key): iter = componentsCount.begin(); while (iter != componentsCount.end()) { result << delimiter << iter->first; if (iter->second > static_cast(over)) result << delimiter << iter->second; ++iter; } return result.str(); } void Molecule::setUnitCell(UnitCell* uc) { if (uc != m_unitCell) { delete m_unitCell; m_unitCell = uc; } } double Molecule::mass() const { double m(0.0); for (Index i = 0; i < atomCount(); ++i) { if (isotope(i) > 0) m += Elements::isotopeMass(m_atomicNumbers[i], isotope(i)); else m += Elements::mass(m_atomicNumbers[i]); } return m; } double Molecule::monoisotopicMass() const { double m(0.0); for (Index i = 0; i < atomCount(); ++i) // default will be the most common isotope m += Elements::isotopeMass(m_atomicNumbers[i], isotope(i)); return m; } Vector3 Molecule::centerOfGeometry() const { Vector3 center(0.0, 0.0, 0.0); for (Index i = 0; i < atomCount(); ++i) center += atom(i).position3d(); return center / atomCount(); } Vector3 Molecule::centerOfMass() const { Vector3 center(0.0, 0.0, 0.0); Real totalMass = 0.0; for (Index i = 0; i < atomCount(); ++i) { AtomType curr_atom = atom(i); auto mass = Elements::mass(m_atomicNumbers[i]); if (isotope(i) > 0) mass = Elements::isotopeMass(m_atomicNumbers[i], isotope(i)); center += (curr_atom.position3d() * mass); totalMass += mass; } center /= totalMass; return center; } double Molecule::radius() const { double radius = 0.0; if (atomCount() > 0) { radius = (centerOfGeometry() - atom(0).position3d()).norm(); } return radius; } std::pair Molecule::bestFitPlane() const { return bestFitPlane(atomPositions3d()); } std::pair Molecule::bestFitPlane(const Array& pos) { // copy coordinates to matrix in Eigen format size_t num_atoms = pos.size(); assert(num_atoms >= 3); Eigen::Matrix coord( 3, num_atoms); for (size_t i = 0; i < num_atoms; ++i) { coord.col(i) = pos[i]; } // calculate centroid Vector3 centroid = coord.rowwise().mean(); // subtract centroid coord.colwise() -= centroid; // we only need the left-singular matrix Eigen::JacobiSVD svd(coord, Eigen::ComputeThinU | Eigen::ComputeThinV); Vector3 plane_normal = svd.matrixU().rightCols<1>(); return std::make_pair(centroid, plane_normal); } Array Molecule::vibrationFrequencies() const { return m_vibrationFrequencies; } void Molecule::setVibrationFrequencies(const Array& freq) { m_vibrationFrequencies = freq; } Array Molecule::vibrationIRIntensities() const { return m_vibrationIRIntensities; } void Molecule::setVibrationIRIntensities(const Array& intensities) { m_vibrationIRIntensities = intensities; } Array Molecule::vibrationRamanIntensities() const { return m_vibrationRamanIntensities; } void Molecule::setVibrationRamanIntensities(const Array& intensities) { m_vibrationRamanIntensities = intensities; } Array Molecule::vibrationLx(int mode) const { if (mode >= 0 && mode < static_cast(m_vibrationLx.size())) return m_vibrationLx[mode]; return Array(); } void Molecule::setVibrationLx(const Array>& lx) { m_vibrationLx = lx; } void Molecule::perceiveBondOrders() { // check for coordinates and that there are some bonds if (m_positions3d.size() != atomCount() || m_positions3d.size() < 2 || m_graph.edgeCount() == 0) return; // save the existing bonds and bond orders // first calculate the unsaturated valence for every atom Array originalBonds = m_bondOrders; Array unsaturatedValence(atomCount(), 0); bool anyUnsaturated = false; for (Index i = 0; i < atomCount(); ++i) { unsigned char boSum = 0; for (auto bond : bonds(i)) { boSum += bond.order(); } unsaturatedValence[i] = atomValence(atomicNumber(i), formalCharge(i), bonds(i).size()) - boSum; if (unsaturatedValence[i] > 0) anyUnsaturated = true; } Index startIndex = 0; Index initialAtom = 0; while (anyUnsaturated) { // okay, we're first going to try placing *one* bond from our start atom // .. then we can try placing bonds anywhere // find the first atom with unsaturated valence of ONE bool foundStart = false; for (Index i = startIndex; i < atomCount(); ++i) { if (unsaturatedValence[i] == 1) { startIndex = i; foundStart = true; break; } } // if we didn't find an atom with unsaturated valence of ONE, // .. then find *something* if (!foundStart) { for (Index i = startIndex; i < atomCount(); ++i) { if (unsaturatedValence[i] > 0) { startIndex = i; foundStart = true; break; } } } if (foundStart) { // std::cerr << "Found start index " << startIndex << std::endl; // look at the neighbors of our start atom Index bestIndex = MaxIndex; unsigned bestValence = 256; // something impossible Real bestDistance = 100.0; // 10 Angstroms squared Vector3 startPosition = m_positions3d[startIndex]; // iterate through the Indexes of the neighbors for (auto neighbor : graph().neighbors(startIndex)) { // if this neighbor doesn't have an unsaturated valence, skip it if (unsaturatedValence[neighbor] == 0) { continue; } if (unsaturatedValence[neighbor] < bestValence) { bestIndex = neighbor; bestValence = unsaturatedValence[neighbor]; bestDistance = (m_positions3d[neighbor] - startPosition).squaredNorm(); } else if (unsaturatedValence[neighbor] == bestValence) { // check if this neighbor is closer Real distance = (m_positions3d[neighbor] - startPosition).squaredNorm(); if (distance < bestDistance) { bestIndex = neighbor; bestDistance = distance; } } } // if we found a neighbor, then we can assign a bond order and update // charges if (bestIndex != MaxIndex) { /*std::cerr << "Assigning bond " << startIndex << " " << bestIndex << std::endl; */ // assign the bond order m_bondOrders[bond(startIndex, bestIndex).index()] += 1; // update the unsaturated valence of the start atom unsaturatedValence[startIndex] -= 1; // update the unsaturated valence of the neighbor atom unsaturatedValence[bestIndex] -= 1; startIndex = 0; // we can now try placing bonds anywhere } else { startIndex += 1; } } // TODO: update the current formal charges anyUnsaturated = false; // check if we're done for (Index i = 0; i < atomCount(); ++i) { if (unsaturatedValence[i] > 0) { anyUnsaturated = true; break; } } if (!foundStart && anyUnsaturated) { // we've gone through and it's not working // try a new starting atom and reset the bond orders // std::cerr << " didn't work " << initialAtom << std::endl; initialAtom += 1; startIndex = initialAtom; for (Index i = 0; i < m_bondOrders.size(); ++i) { unsigned change = m_bondOrders[i] - originalBonds[i]; if (change > 0) { // update the valences unsaturatedValence[bond(i).atom1().index()] += change; unsaturatedValence[bond(i).atom2().index()] += change; } m_bondOrders[i] = originalBonds[i]; } } if (initialAtom >= atomCount()) { break; } } // keep going until we've assigned all the bond orders } void Molecule::perceiveBondsSimple(const double tolerance, const double min) { // check for coordinates if (m_positions3d.size() != atomCount() || m_positions3d.size() < 2) return; // cache atomic radii std::vector radii(atomCount()); double max_radius = 0.0; for (size_t i = 0; i < radii.size(); i++) { radii[i] = Elements::radiusCovalent(atomicNumber(i)); if (radii[i] <= 0.0) radii[i] = 2.0; if (radii[i] > max_radius) max_radius = radii[i]; } float maxDistance = 2.0 * max_radius + tolerance; auto neighborPerceiver = NeighborPerceiver(m_positions3d, maxDistance); // check for bonds // O(n) average-case, O(n^2) worst-case // note that the "worst case" here would need to be an invalid molecule Array neighbors; for (Index i = 0; i < atomCount(); i++) { Vector3 ipos = m_positions3d[i]; neighborPerceiver.getNeighborsInclusiveInPlace(neighbors, ipos); for (unsigned long j : neighbors) { double cutoff = radii[i] + radii[j] + tolerance; Vector3 jpos = m_positions3d[j]; Vector3 diff = jpos - ipos; // Don't automatically bond nobel gases to anything switch (atomicNumber(i)) { case 2: // He case 10: // Ne case 18: // Ar case 36: // Kr continue; default: break; } // now for the other atom switch (atomicNumber(j)) { case 2: // He case 10: // Ne case 18: // Ar case 36: // Kr continue; default: break; } if (std::fabs(diff[0]) > cutoff || std::fabs(diff[1]) > cutoff || std::fabs(diff[2]) > cutoff || (atomicNumber(i) == 1 && atomicNumber(j) == 1)) continue; // check radius and add bond if needed double cutoffSq = cutoff * cutoff; double diffsq = diff.squaredNorm(); if (diffsq < cutoffSq && diffsq > min * min) addBond(atom(i), atom(j), 1); } } } void Molecule::perceiveBondsFromResidueData() { for (auto& m_residue : m_residues) { m_residue.resolveResidueBonds(*this); } } size_t Molecule::coordinate3dCount() const { return m_coordinates3d.size(); } bool Molecule::setCoordinate3d(int coord) { if (coord >= 0 && coord < static_cast(m_coordinates3d.size())) { m_positions3d = m_coordinates3d[coord]; return true; } return false; } void Molecule::clearCoordinate3d() { m_coordinates3d.clear(); } Array Molecule::coordinate3d(size_t index) const { return m_coordinates3d[index]; } bool Molecule::setCoordinate3d(const Array& coords, size_t index) { if (m_coordinates3d.size() <= index) m_coordinates3d.resize(index + 1); m_coordinates3d[index] = coords; return true; } void Molecule::estimateVelocities() { if (m_coordinates3d.size() < 2 || m_timesteps.size() != m_coordinates3d.size()) return; m_velocities.resize(m_coordinates3d.size()); for (size_t i = 0; i < m_coordinates3d.size(); ++i) { double dt = 0.0; if (i > 0) { dt = m_timesteps[i] - m_timesteps[i - 1]; } else if (m_timesteps.size() > 1) { dt = m_timesteps[1] - m_timesteps[0]; } if (std::abs(dt) < 1e-6) continue; m_velocities[i].resize(atomCount()); const Array& currentCoords = m_coordinates3d[i]; const Array& prevCoords = (i > 0) ? m_coordinates3d[i - 1] : m_coordinates3d[0]; const Array& nextCoords = (i < m_coordinates3d.size() - 1) ? m_coordinates3d[i + 1] : m_coordinates3d[i]; if (i > 0) { // Backward difference for i > 0 for (Index j = 0; j < atomCount(); ++j) { m_velocities[i][j] = (currentCoords[j] - prevCoords[j]) / dt; } } else { // Forward difference for i == 0 for (Index j = 0; j < atomCount(); ++j) { m_velocities[i][j] = (nextCoords[j] - currentCoords[j]) / dt; } } } } Array Molecule::velocities(int index) const { if (index >= 0 && index < static_cast(m_velocities.size())) return m_velocities[index]; return Array(); } bool Molecule::setVelocities(const Array& velocities, int index) { if (index < 0) return false; if (static_cast(m_velocities.size()) <= index) m_velocities.resize(index + 1); m_velocities[index] = velocities; return true; } void Molecule::clearVelocities() { m_velocities.clear(); } double Molecule::timeStep(int index, bool& status) { if (static_cast(m_timesteps.size()) <= index) { status = false; return 0.0; } status = true; return m_timesteps[index]; } bool Molecule::setTimeStep(double timestep, int index) { if (static_cast(m_timesteps.size()) <= index) m_timesteps.resize(index + 1); m_timesteps[index] = timestep; return true; } Array& Molecule::forceVectors() { return m_forceVectors; } const Array& Molecule::forceVectors() const { return m_forceVectors; } Residue& Molecule::addResidue(std::string& name, Index& number, char& id) { Residue newResidue(name, number, id); m_residues.push_back(newResidue); return m_residues[m_residues.size() - 1]; } void Molecule::addResidue(Residue& residue) { m_residues.push_back(residue); } Residue& Molecule::residue(Index index) { return m_residues[index]; } const Residue& Molecule::residue(Index index) const { return m_residues[index]; } Index Molecule::residueCount() const { return static_cast(m_residues.size()); } std::string Molecule::residueLabel(Index residueId) const { return residueId < m_residueLabels.size() ? m_residueLabels[residueId] : ""; } bool Molecule::setResidueLabels(const Core::Array& labels) { if (labels.size() == residueCount() || labels.size() == 0) { m_residueLabels = labels; return true; } return false; } bool Molecule::setResidueLabel(Index residueId, const std::string& label) { if (residueId < residueCount()) { if (residueId >= m_residueLabels.size()) m_residueLabels.resize(residueCount(), ""); m_residueLabels[residueId] = label; return true; } return false; } bool Molecule::setBondPairs(const Array>& pairs) { if (pairs.size() == bondCount()) { Index bond = 0; for (const auto& pair : pairs) { setBondPair(bond, pair); ++bond; } return true; } return false; } bool Molecule::setBondPair(Index bondId, const std::pair& pair) { if (bondId < bondCount()) { m_graph.editEdgeInPlace(bondId, pair.first, pair.second); return true; } return false; } unsigned char Molecule::bondOrder(Index bondId) const { return bondId < m_bondOrders.size() ? m_bondOrders[bondId] : 0; } bool Molecule::setBondOrders(const Array& orders) { if (orders.size() == bondCount()) { m_bondOrders = orders; return true; } return false; } bool Molecule::setBondOrder(Index bondId, unsigned char order) { if (bondId < bondCount()) { m_bondOrders[bondId] = order; return true; } return false; } Index Molecule::atomCount(unsigned char number) const { Index count(0); for (unsigned char m_atomicNumber : m_atomicNumbers) { if (m_atomicNumber == number) ++count; } return count; } bool Molecule::setAtomicNumbers(const Core::Array& nums) { if (nums.size() == atomCount()) { m_atomicNumbers = nums; // update element mask m_elements.reset(); // update colors too if (nums.size() == m_colors.size()) { for (Index i = 0; i < nums.size(); ++i) { m_colors[i] = Vector3ub(Elements::color(m_atomicNumbers[i])); m_elements.set(m_atomicNumbers[i]); } } return true; } return false; } bool Molecule::setAtomicNumber(Index atomId, unsigned char number) { if (atomId < atomCount()) { m_atomicNumbers[atomId] = number; // recalculate the element mask m_elements.reset(); for (unsigned char m_atomicNumber : m_atomicNumbers) { m_elements.set(m_atomicNumber); } // update colors too if (atomId < m_colors.size()) m_colors[atomId] = Vector3ub(Elements::color(number)); return true; } return false; } bool Molecule::hasCustomElements() const { for (unsigned char m_atomicNumber : m_atomicNumbers) { if (Core::isCustomElement(m_atomicNumber)) return true; } return false; } std::map Molecule::composition() const { const double tolerance = 1.0e-3; // A map of atomic numbers to their quantity (using double for fractional // contributions when there's a unit cell) std::map compositionDouble; // Check if we have a unit cell - if so, we need to account for fractional // atoms at corners, edges, and faces if (m_unitCell != nullptr) { for (Index i = 0; i < atomCount(); ++i) { unsigned char atomicNum = m_atomicNumbers[i]; Vector3 fracCoords = m_unitCell->toFractional(m_positions3d[i]); // Count how many coordinates are at boundaries (0 or 1) int boundaryCount = 0; for (int j = 0; j < 3; ++j) { double coord = fracCoords[j]; // Check if close to 0 or 1 if (std::fabs(coord) < tolerance || std::fabs(coord - 1.0) < tolerance) { ++boundaryCount; } } // Calculate fractional contribution based on boundary count // Corner atoms (3 boundaries): 1/8 // Edge atoms (2 boundaries): 1/4 // Face atoms (1 boundary): 1/2 // Interior atoms (0 boundaries): 1 double weight = 1.0; if (boundaryCount == 3) { weight = 1.0 / 8.0; } else if (boundaryCount == 2) { weight = 1.0 / 4.0; } else if (boundaryCount == 1) { weight = 1.0 / 2.0; } compositionDouble[atomicNum] += weight; } } else { // No unit cell, just count atoms normally for (unsigned char atomicNum : m_atomicNumbers) { compositionDouble[atomicNum] += 1.0; } } // Convert to size_t by rounding to nearest integer std::map composition; for (const auto& pair : compositionDouble) { size_t roundedCount = static_cast(std::round(pair.second)); if (roundedCount > 0) { composition[pair.first] = roundedCount; } } return composition; } std::map Molecule::formulaComposition() const { const double tolerance = 1.0e-3; // A map of element symbols (with isotopes) to their quantity // Using double to accumulate fractional contributions from unit cells std::map compositionDouble; for (Index i = 0; i < atomCount(); ++i) { unsigned char atomicNum = m_atomicNumbers[i]; std::string atomSymbol(Elements::symbol(atomicNum)); // Handle isotopes unsigned short iso = isotope(i); if (iso > 0) { if (atomicNum == 1 && iso == 1) atomSymbol = "H"; else if (atomicNum == 1 && iso == 2) atomSymbol = "D"; else if (atomicNum == 1 && iso == 3) atomSymbol = "T"; else // e.g., 13C atomSymbol = std::to_string(iso) + atomSymbol; } // Calculate fractional contribution for unit cells double weight = 1.0; if (m_unitCell != nullptr) { Vector3 fracCoords = m_unitCell->toFractional(m_positions3d[i]); // Count how many coordinates are at boundaries (0 or 1) int boundaryCount = 0; for (int j = 0; j < 3; ++j) { double coord = fracCoords[j]; if (std::fabs(coord) < tolerance || std::fabs(coord - 1.0) < tolerance) { ++boundaryCount; } } // Corner atoms (3 boundaries): 1/8 // Edge atoms (2 boundaries): 1/4 // Face atoms (1 boundary): 1/2 if (boundaryCount == 3) { weight = 1.0 / 8.0; } else if (boundaryCount == 2) { weight = 1.0 / 4.0; } else if (boundaryCount == 1) { weight = 1.0 / 2.0; } } compositionDouble[atomSymbol] += weight; } // Convert to size_t by rounding to nearest integer std::map composition; for (const auto& pair : compositionDouble) { size_t roundedCount = static_cast(std::round(pair.second)); if (roundedCount > 0) { composition[pair.first] = roundedCount; } } return composition; } bool Molecule::removeBonds(Index atom) { if (atom >= atomCount()) return false; while (true) { const std::vector& bondList = m_graph.edges(atom); if (!bondList.size()) break; size_t bond = bondList[0]; removeBond(bond); } return true; } Array> Molecule::getAtomBonds(Index index) const { Array> result; const std::vector& edgeIndices = m_graph.edges(index); for (unsigned long edgeIndice : edgeIndices) { result.push_back(m_graph.endpoints(edgeIndice)); } return result; } Array Molecule::getAtomOrders(Index index) const { Array result; const std::vector& edgeIndices = m_graph.edges(index); for (unsigned long edgeIndice : edgeIndices) { result.push_back(m_bondOrders[edgeIndice]); } return result; } void Molecule::addBonds(const Array>& bonds, const Array& orders) { Index i = 0; for (auto p : bonds) { addBond(p.first, p.second, orders[i]); ++i; } } std::list Molecule::getAtomsAtLayer(size_t layer) { std::list result; // get the index in decreasing order so deleting won't corrupt data for (Index i = atomCount(); i > 0; --i) { if (m_layers.getLayerID(i - 1) == layer) { result.push_back(i - 1); } } return result; } void Molecule::boundingBox(Vector3& boxMin, Vector3& boxMax, const double radius) const { boxMin.setConstant(std::numeric_limits::max()); boxMax.setConstant(-std::numeric_limits::max()); const bool noSelection = isSelectionEmpty(); for (uint32_t i = 0; i < atomCount(); i++) { if (noSelection || m_selectedAtoms[i]) { const Vector3 boxMinBuffer = atom(i).position3d().array() - radius; const Vector3 boxMaxBuffer = atom(i).position3d().array() + radius; boxMin.x() = std::min(boxMinBuffer.x(), boxMin.x()); boxMin.y() = std::min(boxMinBuffer.y(), boxMin.y()); boxMin.z() = std::min(boxMinBuffer.z(), boxMin.z()); boxMax.x() = std::max(boxMaxBuffer.x(), boxMax.x()); boxMax.y() = std::max(boxMaxBuffer.y(), boxMax.y()); boxMax.z() = std::max(boxMaxBuffer.z(), boxMax.z()); } } } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/molecule.h000066400000000000000000001167001516317240700242070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MOLECULE_H #define AVOGADRO_CORE_MOLECULE_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "array.h" #include "bond.h" #include "constraint.h" #include "elements.h" #include "graph.h" #include "layer.h" #include "variantmap.h" #include "vector.h" #include #include #include #include #include #include namespace Avogadro::Core { class BasisSet; class Cube; class Mesh; class Residue; class UnitCell; /** Concrete atom/bond proxy classes for Core::Molecule. @{ */ class Atom; class Bond; /** @} */ /** * @class Molecule molecule.h * @brief The Molecule class represents a chemical molecule. */ class AVOGADROCORE_EXPORT Molecule { public: /** Typedef for Atom class. */ using AtomType = Atom; /** Typedef for Bond class. */ using BondType = Bond; /** Type for custom element map. */ using CustomElementMap = std::map; /** Type for element masks (e.g., does this molecule contain certain elements) */ using ElementMask = std::bitset; /** Creates a new, empty molecule. */ Molecule(); /** Copy constructor */ Molecule(const Molecule& other); /** Move constructor */ Molecule(Molecule&& other) noexcept; /** Assignment operator */ Molecule& operator=(const Molecule& other); /** Move assignment operator */ Molecule& operator=(Molecule&& other) noexcept; /** Destroys the molecule object. */ virtual ~Molecule(); /** * Adds the properties from the supplied * molecule to this molecule. Does not otherwise * modify atoms / bonds / residues, etc. */ void readProperties(const Molecule& other); /** Sets the data value with @p name to @p value. */ void setData(const std::string& name, const Variant& value); /** @return the data value for @p name. */ Variant data(const std::string& name) const; /** * @return true if the molecule has data with the given key, false otherwise. */ bool hasData(const std::string& name) const; /** Set the molecule's variant data to the entries in map. */ void setDataMap(const VariantMap& map); /** @return the molecule's variant data. */ const VariantMap& dataMap() const; /** \overload */ VariantMap& dataMap(); /** @return a specific spectra entry */ MatrixX spectra(const std::string& name) const; /** Sets the spectra value with @p name to @p value. */ void setSpectra(const std::string& name, const MatrixX& value); /** @return the list of available spectra */ std::set spectraTypes() const; /** Sets atomic partial charges with @p type to @p value. */ void setPartialCharges(const std::string& type, const MatrixX& value); /** @return the atomic partial charges of type @p type */ MatrixX partialCharges(const std::string& type) const; /** @return the types of partial charges available stored with this molecule. */ std::set partialChargeTypes() const; /** @return a vector of hybridizations for the atoms in the molecule. */ Array& hybridizations(); /** \overload */ const Array& hybridizations() const; /** * Get the hybridization for the requested atom. * @param atomId The index of the atom. * @return The hybridization of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ AtomHybridization hybridization(Index atomId) const; /** * Replace the current array of hybridizations. * @param hybs The new hybridization array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setHybridizations(const Core::Array& hybs); /** * Set the hybridization of a single atom. * @param atomId The index of the atom to modify. * @param hybridization The new hybridization. * @return True on success, false otherwise. */ bool setHybridization(Index atomId, AtomHybridization hybridization); /** @return a vector of formal charges for the atoms in the molecule. */ Array& formalCharges(); /** \overload */ const Array& formalCharges() const; /** * Get the formal charge for the requested atom. * @param atomId The index of the atom. * @return The formal charge of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ signed char formalCharge(Index atomId) const; /** * Replace the current array of formal charges. * @param charges The new formal charge array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setFormalCharges(const Core::Array& charges); /** * Set the formal charge of a single atom. * @param atomId The index of the atom to modify. * @param charge The new formal charge. * @return True on success, false otherwise. */ bool setFormalCharge(Index atomId, signed char charge); /** * Get the total charge on the molecule. * The method will first check to see if a total charge has been set. If not, * it will calculate the total charge from the formal charges (if set). * If neither has been set, it will assume the total charge is zero. * @return The total charge of the molecule. */ signed char totalCharge() const; /** * Get the total spin multiplicity of the molecule. * The method will first check to see if a total spin has been set. If not, * it will either suggest a singlet if an even number of electrons are * present, or a doublet if an odd number of electrons are present. * @return The total spin multiplicity of the molecule. */ char totalSpinMultiplicity() const; /** @return an array of the isotopes for the atoms in the molecule. */ Array& isotopes(); /** \overload */ const Array& isotopes() const; /** * Get the isotope for the requested atom. * @param atomId The index of the atom. * @return The isotope of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ unsigned short isotope(Index atomId) const; /** * Replace the current array of isotopes. * @param charges The new isotope array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setIsotopes(const Core::Array& isotopes); /** * Set the isotope of a single atom. * @param atomId The index of the atom to modify. * @param isotope The new isotope (or zero for most common) * @return True on success, false otherwise. */ bool setIsotope(Index atomId, unsigned short isotope); /** \returns a vector of colors for the atoms in the moleucle. */ Array& colors(); /** \overload */ const Array& colors() const; /** * Get the color for the requested atom. * @param atomId The index of the atom. * @return The color of the atom indexed at @a atomId, or * (0,0,0) if @a atomId is invalid. If no color is set for the * given atomId, the default color for the atomic number of * the atomId is returned. */ Vector3ub color(Index atomId) const; /** * Replace the current array of colors. * @param colors The new color array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setColors(const Core::Array& colors); /** * Set the color of a single atom. * @param atomId The index of the atom to modify. * @param color The new color. * @return True on success, false otherwise. */ bool setColor(Index atomId, Vector3ub color); bool setLayer(Index atomId, size_t layer); size_t layer(Index atomId) const; /** @return a vector of 2d atom positions for the atoms in the molecule. */ const Array& atomPositions2d() const; /** \overload */ Array& atomPositions2d(); /** * Get the 2D position of a single atom. * @param atomId The index of the atom. * @return The position of the atom, or Vector3::Zero() if no position * information has been set. */ Vector2 atomPosition2d(Index atomId) const; /** * Replace the current array of 2D atomic coordinates. * @param pos The new coordinate array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomPositions2d(const Core::Array& pos); /** * Set the 2D position of a single atom. * @param atomId The index of the atom to modify. * @param pos The new position of the atom. * @return True on success, false otherwise. */ bool setAtomPosition2d(Index atomId, const Vector2& pos); /** @return a vector of 3d atom positions for the atoms in the molecule. */ const Array& atomPositions3d() const; /** \overload */ Array& atomPositions3d(); /** * Get the 3D position of a single atom. * @param atomId The index of the atom. * @return The position of the atom, or Vector3::Zero() if no position * information has been set. */ Vector3 atomPosition3d(Index atomId) const; /** * Replace the current array of 3D atomic coordinates. * @param pos The new coordinate array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomPositions3d(const Core::Array& pos); /** * Set the 3D position of a single atom. * @param atomId The index of the atom to modify. * @param pos The new position of the atom. * @return True on success, false otherwise. */ bool setAtomPosition3d(Index atomId, const Vector3& pos); /** * @return Any custom label for the requested atom. * @param atomId The index of the atom. */ std::string atomLabel(Index atomId) const; /** * Set the custom label of a single atom. * @param atomId The index of the atom to modify. * @param label The new label of the atom. * @return True on success, false otherwise. */ bool setAtomLabel(Index atomId, const std::string& label); const Core::Array atomLabels() const { return m_atomLabels; } /** * Set all the atom labels in the molecule. * @param label The new label array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomLabels(const Core::Array& label); /** * Set whether the specified atom is selected or not. */ void setAtomSelected(Index atomId, bool selected); /** * Query whether the supplied atom index has been selected. */ bool atomSelected(Index atomId) const; /** @return whether the selection is empty or not */ bool isSelectionEmpty() const; /** A map of custom element atomic numbers to string identifiers. These ids * can be used to override the generic custom element names returned by the * Elements class, and should be somewhat meaningful to the user. * * @note Custom element atomic numbers lie between CustomElementMin and * CustomElementMax. * @sa Avogadro::QtGui::CustomElementDialog * @sa hasCustomElements * @{ */ const CustomElementMap& customElementMap() const; void setCustomElementMap(const CustomElementMap& map); /** @} */ /** @return the elements currently in this molecule */ const ElementMask elements() const; /** Adds an atom to the molecule. */ virtual AtomType addAtom(unsigned char atomicNumber); AtomType addAtom(unsigned char atomicNumber, Vector3 position3d); /** * @brief Remove the specified atom from the molecule. * @param index The index of the atom to be removed. * @return True on success, false if the atom was not found. */ virtual bool removeAtom(Index index); /** * @brief Remove the specified atom from the molecule. * @param atom The atom to be removed. * @return True on success, false if the atom was not found. * @overload */ virtual bool removeAtom(const AtomType& atom); /** * Remove all atoms from the molecule. */ virtual void clearAtoms(); /** * @return the atom at @p index in the molecule. */ AtomType atom(Index index) const; /** * Create a new bond in the molecule. * @param atom1 The first atom in the bond. * @param atom2 The second atom in the bond. * @param order The bond order. * @return The new bond object. Will be invalid if @a atom1 or @a atom2 does * not exist. * @{ */ virtual BondType addBond(Index atom1, Index atom2, unsigned char order = 1); virtual BondType addBond(const AtomType& atom1, const AtomType& atom2, unsigned char order = 1); /** @} */ /** * @brief Remove the specified bond. * @param index The index of the bond to be removed. * @return True on success, false if the bond was not found. */ virtual bool removeBond(Index index); /** * @brief Remove the specified bond. * @param bond The bond to be removed. * @return True on success, false if the bond was not found. * @overload */ virtual bool removeBond(const BondType& bond); /** * @brief Remove the specified bond. * @param atom1 One atom in the bond. * @param atom2 The other atom in the bond. * @return True on success, false if the bond was not found. * @overload * @{ */ virtual bool removeBond(Index atom1, Index atom2); virtual bool removeBond(const AtomType& atom1, const AtomType& atom2); /** @} */ /** * Remove all bonds from the molecule. */ virtual void clearBonds(); /** @return the bond at @p index in the molecule. */ BondType bond(Index index) const; /** @return the bond between atoms @p a and @p b. */ BondType bond(const AtomType& a, const AtomType& b) const; /** @return the bond between atomId1 and atomId2. */ BondType bond(Index atomId1, Index atomId2) const; /** * @return Any custom label for the requested bond. * @param bondIndex The index of the bond. */ std::string bondLabel(Index bondIndex) const; /** * Set the custom label of a single bond. * @param bondIndex The index of the bond to modify. * @param label The new label of the bond. * @return True on success, false otherwise. */ bool setBondLabel(Index bondIndex, const std::string& label); const Core::Array bondLabels() const { return m_bondLabels; } /** * Set all the bond labels in the molecule. * @param label The new label array. Must be of length bondCount(). * @return True on success, false otherwise. */ bool setBondLabels(const Core::Array& label); /** * @brief Get all bonds to @p a. * @return A vector of bonds to the supplied atom @p a. * @{ */ Array bonds(const AtomType& a); Array bonds(Index a); Array bonds(Index a) const; /** @} */ /** * @brief Add a mesh to the molecule. * @return The mesh object added to the molecule. */ Mesh* addMesh(); Mesh* mesh(Index index); const Mesh* mesh(Index index) const; Index meshCount() const { return static_cast(m_meshes.size()); } void clearMeshes(); /** * @brief Add a cube to the molecule. * @return The cube object added to the molecule. */ Cube* addCube(); Cube* cube(Index index); const Cube* cube(Index index) const; Index cubeCount() const { return static_cast(m_cubes.size()); } void clearCubes(); /** * @brief Set the active cube index for volume rendering. * @param index The index of the cube to make active. * @return True if the index is valid and was set, false otherwise. */ bool setActiveCubeIndex(Index index); /** * @brief Get the index of the active cube. * @return The active cube index, or 0 if no cubes exist. */ Index activeCubeIndex() const { return m_activeCubeIndex; } /** * @brief Get the active cube for volume rendering. * @return A pointer to the active cube, or nullptr if no cubes exist. */ Cube* activeCube(); const Cube* activeCube() const; /** * @brief Get the cubes vector set (if present) for the molecule. * @return The cube vector for the molecule */ std::vector cubes() { return m_cubes; } const std::vector cubes() const { return m_cubes; } /** * @return the chemical formula of the molecule. * @param delimiter Delimiter to insert between tokens, defaults to none. * @param showCountsOver Show atom counts above this (defaults to 1). */ std::string formula(const std::string& delimiter = "", int showCountsOver = 1) const; /** * @return The mass of the molecule obtained by summing constituent atomic * masses. */ double mass() const; /** * @return the monoisotopic mass of the molecule obtained by summing * the isotopic masses of the atoms (including the most common isotope * if not specified). */ double monoisotopicMass() const; /** * @return The center of geometry of the molecule obtained by summing the * coordinates of the atoms. */ Vector3 centerOfGeometry() const; /** * @return The center of mass of the molecule obtained by summing the * coordinates of the atoms weighted by mass. */ Vector3 centerOfMass() const; /** * @return The minimum radius of a sphere centered on centerOfGeometry * containing all the centers of the atoms. */ double radius() const; /** * @return The (centroid, normal vector) pair of the best-fit plane of * the atoms of the molecule. */ std::pair bestFitPlane() const; /** * @return The normal vector of the best-fit plane of some specific atoms. */ static std::pair bestFitPlane(const Array& pos); /** * Set the basis set for the molecule, note that the molecule takes ownership * of the object. */ void setBasisSet(BasisSet* basis) { m_basisSet = basis; } /** * @return the basis set (if present) for the molecule. */ BasisSet* basisSet() { return m_basisSet; } const BasisSet* basisSet() const { return m_basisSet; } /** * The unit cell for this molecule. May be nullptr for non-periodic * structures. * @{ */ void setUnitCell(UnitCell* uc); UnitCell* unitCell() { return m_unitCell; } const UnitCell* unitCell() const { return m_unitCell; } /** @} */ /** * The space group for this molecule. It is updated after every * space group operation. * @{ */ void setHallNumber(unsigned short hallNumber) { m_hallNumber = hallNumber; } unsigned short hallNumber() const { return m_hallNumber; } /** @} */ Array vibrationFrequencies() const; void setVibrationFrequencies(const Array& freq); Array vibrationIRIntensities() const; void setVibrationIRIntensities(const Array& intensities); Array vibrationRamanIntensities() const; void setVibrationRamanIntensities(const Array& intensities); Array vibrationLx(int mode) const; void setVibrationLx(const Array>& lx); /** * Perceives bonds in the molecule based on the 3D coordinates of the atoms. * atoms are considered bonded if within the sum of radii * plus a small @p tolerance. * @param tolerance The calculation tolerance. * @param minDistance = atoms closer than the square of this are ignored */ void perceiveBondsSimple(const double tolerance = 0.45, const double minDistance = 0.32); /** * Perceives bonds in the molecule based on preset residue data. * * Use this if you have residue data available (e.g., reading PDB or MMTF * files) Otherwise consider @sa perceiveBondsSimple and @sa * perceiveBondOrders */ void perceiveBondsFromResidueData(); void perceiveBondOrders(); /** * Perceives all-carbon-substituted onium ions of nitrogen, oxygen, * phosphorus, sulfur, arsenic and selenium. */ void perceiveSubstitutedCations(); size_t coordinate3dCount() const; bool setCoordinate3d(int coord); Array coordinate3d(size_t index) const; bool setCoordinate3d(const Array& coords, size_t index); /** * Clear coordinate sets (except the default set) */ void clearCoordinate3d(); /** * Estimate velocities from the coordinate sets and timesteps. */ void estimateVelocities(); /** * Get the velocities for the specified index. */ Array velocities(int index) const; /** * Set the velocities for the specified index. */ bool setVelocities(const Array& velocities, int index); /** * Clear all velocity sets. */ void clearVelocities(); /** * Timestep property is used when molecular dynamics trajectories are read */ bool setTimeStep(double timestep, int index); double timeStep(int index, bool& status); /** @return a vector of forces for the atoms in the molecule. */ const Array& forceVectors() const; /** \overload */ Array& forceVectors(); /** * Get the force of a single atom. * @param atomId The index of the atom. * @return The force vector of the atom, or Vector3::Zero() if no force * information has been set. */ Vector3 forceVector(Index atomId) const; /** * Replace the current array of force vectors. * @param forces The new coordinate array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setForceVectors(const Core::Array& forces); /** * Set the 3D position of a single atom. * @param atomId The index of the atom to modify. * @param force The new position of the atom. * @return True on success, false otherwise. */ bool setForceVector(Index atomId, const Vector3& force); Residue& addResidue(std::string& name, Index& number, char& id); void addResidue(Residue& residue); Residue& residue(Index index); const Residue& residue(Index index) const; Array& residues() { return m_residues; } const Array& residues() const { return m_residues; } /** @return The number of residues in the molecule. */ Index residueCount() const; /** * @return Any custom label for the requested residue. * @param residueIndex The index of the residue. */ std::string residueLabel(Index residueIndex) const; /** * Set the custom label of a single residue. * @param residueIndex The index of the residue to modify. * @param label The new label of the residue. * @return True on success, false otherwise. */ bool setResidueLabel(Index residueIndex, const std::string& label); const Core::Array residueLabels() const { return m_residueLabels; } /** * Set all the residue labels in the molecule. * @param label The new label array. Must be of length residueCount(). * @return True on success, false otherwise. */ bool setResidueLabels(const Core::Array& label); /** @return The number of atoms in the molecule. */ Index atomCount() const; /** * @brief Get the number of atoms in the molecule that match atomicNumber. * @param atomicNumber The atomic number to match on. * @return The number of atoms with the supplied atomic number. */ Index atomCount(unsigned char atomicNumber) const; /** @return the number of bonds in the molecule. */ inline Index bondCount() const; // getters and setters /** * Get the set of bonded atoms corresponding to @a bondId. * @param bondId The index of the requested bond. * @return The bonded atom pair, represented as a pair of atom indices. */ inline std::pair bondPair(Index bondId) const; /** * Replace the current array of bonded atoms. * @param pairs The array. * @return True on success, false on failure. * @note The bonded atoms are represented as a pair of bond indices. * @note If needed, the elements in @a pairs will be modified to ensure that * the first atom index is less than the second. */ bool setBondPairs(const Array>& pairs); /** @return a vector of pairs of atom indices of the bonds in the molecule. */ inline const Array>& bondPairs() const; /** @return a vector of the bond orders for the bonds in the molecule. */ inline const Array& bondOrders() const; /** @return the graph for the molecule. */ inline const Graph& graph() const; /** @return a vector of atomic numbers for the atoms in the molecule. */ inline const Array& atomicNumbers() const; /** * Get the atomic number for the requested atom. * @param atomId The index of the atom. * @return The atomic number of the atom indexed at @a atomId, or * Avogadro::InvalidElement if @a atomId is invalid. */ unsigned char atomicNumber(Index atomId) const; /** * Replace the current array of bond orders. * @param orders The new array. * @return True on success, false on failure. */ bool setBondOrders(const Array& orders); /** * Set the order of a bond in the molecule. * @param bondId The bond's index. * @param order The new order of the bond. * @return True on success, false on failure. */ bool setBondOrder(Index bondId, unsigned char order); /** * @return True if custom elements exist in the molecule. * @note Custom element atomic numbers lie between CustomElementMin and * CustomElementMax. */ bool hasCustomElements() const; /** * Set the bonded atoms for a bond. * @param bondId The bond to modify. * @param pair The new bond pair. * @return True on success, false otherwise. * @note If needed, @a pair will be modified to ensure that the first atom * index is less than the second. */ bool setBondPair(Index bondId, const std::pair& pair); /** * Get the order of a bond. * @param bondId The id of the bond. * @return The bond order. */ unsigned char bondOrder(Index bondId) const; /** * Replace the current array of atomic numbers. * @param nums The new atomic number array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomicNumbers(const Core::Array& nums); /** * Set the atomic number of a single atom. * @param atomId The index of the atom to modify. * @param atomicNumber The new atomic number. * @return True on success, false otherwise. */ bool setAtomicNumber(Index atomId, unsigned char atomicNumber); /** @name Constraints * Methods for distance, angle, torsion, etc. constraints */ ///@{ void addConstraint(Real Value, Index a, Index b, Index c = MaxIndex, Index d = MaxIndex); void addConstraint(Constraint& c) { m_constraints.push_back(c); } void removeConstraint(Index a, Index b, Index c = MaxIndex, Index d = MaxIndex); void clearConstraints() { m_constraints.clear(); } void setConstraints(const std::vector& constraints) { m_constraints = constraints; } std::vector& constraints() { return m_constraints; }; const std::vector& constraints() const { return m_constraints; } /** * Freeze or unfreeze an atom for optimization */ void setFrozenAtom(Index atomId, bool frozen); /** * @return whether the specified atom is frozen */ bool frozenAtom(Index atomId) const; /** * @param atomId The index of the atom to check * @param axis The axis to check (0 = x, 1 = y, 2 = z) * @return whether the specified axis of the specified atom is frozen */ bool frozenAtomAxis(Index atomId, int axis) const; /** * Freeze or unfreeze X, Y, or Z coordinate of an atom for optimization * @param atomId The index of the atom to modify. * @param axis The axis to freeze (0, 1, or 2 for X, Y, or Z) * @param frozen True to freeze, false to unfreeze */ void setFrozenAtomAxis(Index atomId, int axis, bool frozen); /** * @return the frozen status of atoms (i.e., 3*N array of 1.0 or 0.0) * 0.0 means the atom is frozen, 1.0 means the atom is not frozen. * (i.e., multiply this mask with gradients to freeze atoms) */ Eigen::VectorXd frozenAtomMask() const { return m_frozenAtomMask; } ///@} end of constraint methods /** * @return a map of components and count. */ std::map composition() const; /** * @return a map of element symbols (including isotopes like D, T, 13C) to * their count. Handles unit cell fractional contributions for atoms at * corners (1/8), edges (1/4), and faces (1/2). */ std::map formulaComposition() const; /** * @return the atom pairs for all bonds to the atom indexed at @a index. */ Array> getAtomBonds(Index index) const; /** * @return the bond orders for all bonds to the atom indexed at @a index. */ Array getAtomOrders(Index index) const; inline static std::pair makeBondPair(const Index& a, const Index& b); /** Remove bonds to @a atom */ bool removeBonds(Index atom); void addBonds(const Array>& bonds, const Array& orders); // chenge the bond index position void swapBond(Index a, Index b); // channge the Atom index position void swapAtom(Index a, Index b); std::list getAtomsAtLayer(size_t layer); Layer& layer(); const Layer& layer() const; /** * Calculte and return bounding box of the whole molecule or selected atoms * only. * @param boxMin [out] the minimum corner (first end of the box diagonal) * @param boxMax [out] the maximum corner (second end of the box diagonal) * @param radius [in] radius of a single sphere */ void boundingBox(Vector3& boxMin, Vector3& boxMax, const double radius = 1.0) const; protected: VariantMap m_data; std::map m_partialCharges; //!< Sets of atomic partial charges std::map m_spectra; //!< Sets of spectra CustomElementMap m_customElementMap; ElementMask m_elements; //!< Which elements this molecule contains (e.g., for //!< force fields) Array m_positions2d; Array m_positions3d; Array m_atomLabels; Array m_bondLabels; Array m_residueLabels; Array> m_coordinates3d; //!< Store conformers/trajectories. Array> m_velocities; //!< Store velocities. Array m_timesteps; Array m_hybridizations; Array m_formalCharges; Array m_isotopes; //!< Store isotopes of the atoms Array m_forceVectors; Array m_colors; // Vibration data if available. Array m_vibrationFrequencies; Array m_vibrationIRIntensities; Array m_vibrationRamanIntensities; Array> m_vibrationLx; // Array declaring whether atoms are selected or not. std::vector m_selectedAtoms; std::vector m_meshes; std::vector m_cubes; Index m_activeCubeIndex = 0; BasisSet* m_basisSet; UnitCell* m_unitCell; Array m_residues; // This will be stored from the last space group operation unsigned short m_hallNumber = 0; std::vector m_constraints; Eigen::VectorXd m_frozenAtomMask; private: mutable Graph m_graph; // A transformation of the molecule to a graph. // edge information Array m_bondOrders; // vertex information Array m_atomicNumbers; Layer& m_layers; }; class AVOGADROCORE_EXPORT Atom : public AtomTemplate { public: Atom() = default; Atom(Molecule* m, Index i) : AtomTemplate(m, i) {} }; class AVOGADROCORE_EXPORT Bond : public BondTemplate { public: Bond() = default; Bond(Molecule* m, Index i) : BondTemplate(m, i) {} }; inline AtomHybridization Molecule::hybridization(Index atomId) const { AtomHybridization hyb = HybridizationUnknown; if (atomId < m_hybridizations.size()) return m_hybridizations[atomId]; return hyb; } inline bool Molecule::setHybridizations( const Core::Array& hybs) { if (hybs.size() == atomCount()) { m_hybridizations = hybs; return true; } return false; } inline bool Molecule::setHybridization(Index atomId, AtomHybridization hyb) { if (atomId < atomCount()) { if (atomId >= m_hybridizations.size()) m_hybridizations.resize(atomCount(), HybridizationUnknown); m_hybridizations[atomId] = hyb; return true; } return false; } inline signed char Molecule::formalCharge(Index atomId) const { return atomId < m_formalCharges.size() ? m_formalCharges[atomId] : 0; } inline bool Molecule::setFormalCharges(const Core::Array& charges) { if (charges.size() == atomCount()) { m_formalCharges = charges; return true; } return false; } inline bool Molecule::setFormalCharge(Index atomId, signed char charge) { if (atomId < atomCount()) { if (atomId >= m_formalCharges.size()) m_formalCharges.resize(atomCount(), 0); m_formalCharges[atomId] = charge; return true; } return false; } inline unsigned short Molecule::isotope(Index atomId) const { return atomId < m_isotopes.size() ? m_isotopes[atomId] : 0; } inline bool Molecule::setIsotopes(const Core::Array& isotopes) { if (isotopes.size() == atomCount()) { m_isotopes = isotopes; return true; } return false; } inline bool Molecule::setIsotope(Index atomId, unsigned short isotope) { if (atomId < atomCount()) { if (atomId >= m_isotopes.size()) m_isotopes.resize(atomCount(), 0); m_isotopes[atomId] = isotope; return true; } return false; } inline const Molecule::ElementMask Molecule::elements() const { return m_elements; } inline Vector3ub Molecule::color(Index atomId) const { if (atomId >= atomCount()) return Vector3ub(0, 0, 0); if (atomId < m_colors.size()) return m_colors[atomId]; return Vector3ub(Elements::color(atomicNumber(atomId))); } inline bool Molecule::setColors(const Core::Array& colors) { if (colors.size() == atomCount()) { m_colors = colors; return true; } return false; } inline bool Molecule::setColor(Index atomId, Vector3ub color) { if (atomId < atomCount()) { if (atomId >= m_colors.size()) { for (Index i = m_colors.size(); i < atomCount(); ++i) { m_colors.push_back(Vector3ub(Elements::color(atomicNumber(i)))); } } m_colors[atomId] = color; return true; } return false; } inline size_t Molecule::layer(Index atomId) const { return m_layers.getLayerID(atomId); } inline bool Molecule::setLayer(Index atomId, size_t layer) { if (atomId < atomCount()) { m_layers.addAtom(layer, atomId); return true; } return false; } inline Vector2 Molecule::atomPosition2d(Index atomId) const { return atomId < m_positions2d.size() ? m_positions2d[atomId] : Vector2(); } inline bool Molecule::setAtomPositions2d(const Core::Array& pos) { if (pos.size() == atomCount() || pos.size() == 0) { m_positions2d = pos; return true; } return false; } inline bool Molecule::setAtomPosition2d(Index atomId, const Vector2& pos) { if (atomId < atomCount()) { if (atomId >= m_positions2d.size()) m_positions2d.resize(atomCount(), Vector2::Zero()); m_positions2d[atomId] = pos; return true; } return false; } inline Vector3 Molecule::atomPosition3d(Index atomId) const { return atomId < m_positions3d.size() ? m_positions3d[atomId] : Vector3(); } inline bool Molecule::setAtomPositions3d(const Core::Array& pos) { if (pos.size() == atomCount() || pos.size() == 0) { m_positions3d = pos; return true; } return false; } inline bool Molecule::setAtomPosition3d(Index atomId, const Vector3& pos) { if (atomId < atomCount()) { if (atomId >= m_positions3d.size()) m_positions3d.resize(atomCount(), Vector3::Zero()); m_positions3d[atomId] = pos; return true; } return false; } inline std::string Molecule::atomLabel(Index atomId) const { return atomId < m_atomLabels.size() ? m_atomLabels[atomId] : ""; } inline bool Molecule::setAtomLabels(const Core::Array& labels) { if (labels.size() == atomCount() || labels.size() == 0) { m_atomLabels = labels; return true; } return false; } inline bool Molecule::setAtomLabel(Index atomId, const std::string& label) { if (atomId < atomCount()) { if (atomId >= m_atomLabels.size()) m_atomLabels.resize(atomCount(), ""); m_atomLabels[atomId] = label; return true; } return false; } inline void Molecule::setAtomSelected(Index atomId, bool selected) { if (atomId < atomCount()) { if (atomId >= m_selectedAtoms.size()) m_selectedAtoms.resize(atomCount(), false); m_selectedAtoms[atomId] = selected; } } inline bool Molecule::atomSelected(Index atomId) const { return atomId < m_selectedAtoms.size() ? m_selectedAtoms[atomId] : false; } inline bool Molecule::isSelectionEmpty() const { for (Index i = 0; i < m_selectedAtoms.size(); ++i) { if (m_selectedAtoms[i]) return false; } return true; } inline Vector3 Molecule::forceVector(Index atomId) const { return atomId < m_forceVectors.size() ? m_forceVectors[atomId] : Vector3(); } inline bool Molecule::setForceVectors(const Core::Array& forces) { if (forces.size() == atomCount() || forces.size() == 0) { m_forceVectors = forces; return true; } return false; } inline bool Molecule::setForceVector(Index atomId, const Vector3& force) { if (atomId < atomCount()) { if (atomId >= m_forceVectors.size()) m_forceVectors.resize(atomCount(), Vector3::Zero()); m_forceVectors[atomId] = force; return true; } return false; } // Make an std::pair where the lower index is always first in the pair. This // offers us the guarantee that any given pair of atoms will always result in // a pair that is the same no matter what the order of the atoms given. std::pair Molecule::makeBondPair(const Index& a, const Index& b) { return a < b ? std::make_pair(a, b) : std::make_pair(b, a); } inline Index Molecule::bondCount() const { assert(m_graph.edgeCount() == m_bondOrders.size()); return m_graph.edgeCount(); } inline const Array>& Molecule::bondPairs() const { return m_graph.edgePairs(); } inline const Array& Molecule::bondOrders() const { return m_bondOrders; } inline std::string Molecule::bondLabel(Index bondId) const { return bondId < m_bondLabels.size() ? m_bondLabels[bondId] : ""; } inline bool Molecule::setBondLabels(const Core::Array& labels) { if (labels.size() == bondCount() || labels.size() == 0) { m_bondLabels = labels; return true; } return false; } inline bool Molecule::setBondLabel(Index bondId, const std::string& label) { if (bondId < bondCount()) { if (bondId >= m_bondLabels.size()) m_bondLabels.resize(bondCount(), ""); m_bondLabels[bondId] = label; return true; } return false; } inline const Graph& Molecule::graph() const { return m_graph; } inline const Array& Molecule::atomicNumbers() const { return m_atomicNumbers; } inline std::pair Molecule::bondPair(Index bondId) const { return bondId < bondCount() ? m_graph.endpoints(bondId) : std::make_pair(MaxIndex, MaxIndex); } inline Index Molecule::atomCount() const { return static_cast(m_atomicNumbers.size()); } inline unsigned char Molecule::atomicNumber(Index atomId) const { return atomId < m_atomicNumbers.size() ? m_atomicNumbers[atomId] : InvalidElement; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_MOLECULE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/mutex.cpp000066400000000000000000000012471516317240700240760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mutex.h" #include namespace Avogadro::Core { using std::mutex; class Mutex::PIMPL { public: PIMPL() {} mutex lock; }; Mutex::Mutex() : d(new PIMPL) {} Mutex::~Mutex() { delete d; } void Mutex::lock() { d->lock.lock(); } bool Mutex::tryLock() { return d->lock.try_lock(); } void Mutex::unlock() { d->lock.unlock(); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/mutex.h000066400000000000000000000021361516317240700235410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MUTEX_H #define AVOGADRO_CORE_MUTEX_H #include "avogadrocoreexport.h" namespace Avogadro::Core { /** * @class Mutex mutex.h * @brief The Mutex class provides a simple wrapper for the C++11 mutex * class * @author Marcus D. Hanwell * * A very simple, and thin wrapper around the C++11 mutex class, allowing for * lock, tryLock and unlock. */ class AVOGADROCORE_EXPORT Mutex { public: Mutex(); ~Mutex(); /** * @brief Obtain an exclusive lock. */ void lock(); /** * @brief Attempt to obtain an exclusive lock. * @return True on success, false on failure. */ bool tryLock(); /** * @brief Unlocks the lock. */ void unlock(); private: class PIMPL; PIMPL* d; }; } // end namespace Avogadro::Core #endif // AVOGADRO_CORE_MUTEX_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/nameatomtyper.cpp000066400000000000000000000011311516317240700256110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "nameatomtyper.h" #include "elements.h" namespace Avogadro::Core { NameAtomTyper::NameAtomTyper(const Molecule* mol) : AtomTyper(mol) { } std::string NameAtomTyper::type(const Atom& atom) { return std::string(Elements::name(atom.atomicNumber())); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/nameatomtyper.h000066400000000000000000000017461516317240700252720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_NAMEATOMTYPER_H #define AVOGADRO_CORE_NAMEATOMTYPER_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { /** * @class NameAtomTyper nameatomtyper.h * @brief The NameAtomTyper class is a simple implementation of AtomTyper that * assigns element names to each atom. */ class AVOGADROCORE_EXPORT NameAtomTyper : public AtomTyper { public: explicit NameAtomTyper(const Molecule* mol = nullptr); ~NameAtomTyper() override = default; protected: std::string type(const Atom& atom) override; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_NAMEATOMTYPER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/neighborperceiver.cpp000066400000000000000000000073151516317240700264400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "neighborperceiver.h" #include namespace Avogadro::Core { NeighborPerceiver::NeighborPerceiver(const Array points, float maxDistance) : m_maxDistance(maxDistance), m_binCount({ 0, 0, 0 }), m_cachedArray(nullptr) { if (!points.size()) return; if (m_maxDistance <= 0 || !std::isfinite(m_maxDistance)) return; // find bounding box m_minPos = points[0]; m_maxPos = points[0]; for (Index i = 1; i < points.size(); i++) { Vector3 ipos = points[i]; for (size_t c = 0; c < 3; c++) { m_minPos(c) = std::min(ipos(c), m_minPos(c)); m_maxPos(c) = std::max(ipos(c), m_maxPos(c)); } } // Validate bounding box (NaN/Inf from malformed input) for (size_t c = 0; c < 3; c++) { if (!std::isfinite(m_minPos(c)) || !std::isfinite(m_maxPos(c))) return; } // group points into cubic bins so that each point is only checked against // other points inside bins within a 3-dimensional Moore neighborhood for (size_t c = 0; c < 3; c++) { double count = std::floor((m_maxPos(c) + 0.1 - m_minPos(c)) / m_maxDistance) + 1; if (!std::isfinite(count) || count < 1) m_binCount[c] = 1; else if (count > 1000) m_binCount[c] = 1000; else m_binCount[c] = static_cast(count); } const long long totalBins = static_cast(m_binCount[0]) * m_binCount[1] * m_binCount[2]; if (totalBins > 10'000'000) // ~240 MB of vector overhead return; std::vector>>> bins( m_binCount[0], std::vector>>( m_binCount[1], std::vector>( m_binCount[2], std::vector()))); m_bins = bins; for (Index i = 0; i < points.size(); i++) { std::array bin_index = getBinIndex(points[i]); if (bin_index[0] >= 0 && bin_index[0] < m_binCount[0] && bin_index[1] >= 0 && bin_index[1] < m_binCount[1] && bin_index[2] >= 0 && bin_index[2] < m_binCount[2]) { m_bins[bin_index[0]][bin_index[1]][bin_index[2]].push_back(i); } } } void NeighborPerceiver::getNeighborsInclusiveInPlace(Array& out, const Vector3& point) const { if (m_bins.empty()) { out.clear(); return; } const std::array bin_index = getBinIndex(point); if (&out == m_cachedArray && bin_index == m_cachedIndex) return; m_cachedIndex = bin_index; out.clear(); for (int xi = std::max(int(1), bin_index[0]) - 1; xi < std::min(m_binCount[0], bin_index[0] + 2); xi++) { for (int yi = std::max(int(1), bin_index[1]) - 1; yi < std::min(m_binCount[1], bin_index[1] + 2); yi++) { for (int zi = std::max(int(1), bin_index[2]) - 1; zi < std::min(m_binCount[2], bin_index[2] + 2); zi++) { const std::vector& bin = m_bins[xi][yi][zi]; out.insert(out.end(), bin.begin(), bin.end()); } } } } Array NeighborPerceiver::getNeighborsInclusive( const Vector3& point) const { Array r; getNeighborsInclusiveInPlace(r, point); return r; } std::array NeighborPerceiver::getBinIndex(const Vector3& point) const { std::array r = {}; for (size_t c = 0; c < 3; c++) { r[c] = std::floor((point(c) - m_minPos(c)) / m_maxDistance); } return r; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/neighborperceiver.h000066400000000000000000000050071516317240700261010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_NEIGHBORPERCEIVER_H #define AVOGADRO_CORE_NEIGHBORPERCEIVER_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "array.h" #include "vector.h" #include #include namespace Avogadro::Core { /** * @class NeighborPerceiver neighborperceiver.h * * @brief This class can be used to find physically neighboring points in linear * average time. */ class AVOGADROCORE_EXPORT NeighborPerceiver { public: /** * Creates a NeighborPerceiver that detects neighbors up to at least some * distance. * * @param points Positions in 3D space to detect neighbors among. * @param maxDistance All neighbors strictly within this distance will be * detected. Should be as low as possible for best * performance. */ NeighborPerceiver(const Array points, float maxDistance); /** * Returns a list of neighboring points. Linear time to number of neighbors. * Can include some neighbors up to 2*sqrt(3) times the maximum distance. * The list is newly allocated on every call; if performance/fragmentation * is a concern, prefer NeighborPerceiver::getNeighborsInclusiveInPlace(). * * @param point Position to return neighbors of, can be located anywhere. */ Array getNeighborsInclusive(const Vector3& point) const; /** * Fills an array with all neighboring points. Linear time to number of * neighbors. Can include some neighbors up to 2*sqrt(3) times the maximum * distance. * * @param out Array to output neighbor indices in. * @param point Position to return neighbors of, can be located anywhere. */ void getNeighborsInclusiveInPlace(Array& out, const Vector3& point) const; private: std::array getBinIndex(const Vector3& point) const; protected: float m_maxDistance; std::array m_binCount; std::vector>>> m_bins; Vector3 m_minPos = Vector3::Zero(); Vector3 m_maxPos = Vector3::Zero(); mutable Array* m_cachedArray; mutable std::array m_cachedIndex; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_NEIGHBORPERCEIVER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/residue.cpp000066400000000000000000000106601516317240700243730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "residue.h" #include "molecule.h" #include "residuecolors.h" #include "residuedata.h" namespace Avogadro::Core { Residue::Residue(std::string& name) : m_residueName(name), m_residueId(0), m_chainId('A'), m_heterogen(false), m_color(0, 0, 0), m_customColorSet(false), m_secondaryStructure(undefined) { } Residue::Residue(std::string& name, Index& number) : m_residueName(name), m_residueId(number), m_chainId('A'), m_heterogen(false), m_color(0, 0, 0), m_customColorSet(false), m_secondaryStructure(undefined) { } Residue::Residue(std::string& name, Index& number, char& id) : m_residueName(name), m_residueId(number), m_chainId(id), m_heterogen(false), m_color(0, 0, 0), m_customColorSet(false), m_secondaryStructure(undefined) { } Residue::Residue(const Residue& other) : m_residueName(other.m_residueName), m_residueId(other.m_residueId), m_chainId(other.m_chainId), m_atomNameMap(other.m_atomNameMap), m_heterogen(other.m_heterogen), m_color(other.m_color), m_customColorSet(other.m_customColorSet), m_secondaryStructure(other.m_secondaryStructure) { } Residue& Residue::operator=(Residue other) { m_residueName = other.m_residueName; m_residueId = other.m_residueId; m_chainId = other.m_chainId; m_atomNameMap = other.m_atomNameMap; m_heterogen = other.m_heterogen; m_color = other.m_color; m_customColorSet = other.m_customColorSet; m_secondaryStructure = other.m_secondaryStructure; return *this; } void Residue::addResidueAtom(const std::string& name, const Atom& atom) { m_atomNameMap.insert(std::pair(name, atom)); } std::vector Residue::residueAtoms() const { std::vector res; for (const auto& it : m_atomNameMap) { res.push_back(it.second); } return res; } Atom Residue::atomByName(std::string name) const { Atom empty; auto search = m_atomNameMap.find(name); if (search != m_atomNameMap.end()) { return search->second; } return empty; } std::string Residue::atomName(const Atom atom) const { for (const auto& it : m_atomNameMap) { if (it.second == atom) { return it.first; } } return ""; } std::string Residue::atomName(const Index index) const { for (const auto& it : m_atomNameMap) { if (it.second.index() == index) { return it.first; } } return ""; } void Residue::resolveResidueBonds(Molecule& mol) { std::vector> bondSeq; if (residueDict.find(m_residueName) != residueDict.end()) { size_t i = 0; bondSeq = residueDict[m_residueName].residueSingleBonds(); for (i = 0; i < bondSeq.size(); ++i) { if (m_atomNameMap.find(bondSeq[i].first) != m_atomNameMap.end() && m_atomNameMap.find(bondSeq[i].second) != m_atomNameMap.end()) { mol.addBond(m_atomNameMap[bondSeq[i].first], m_atomNameMap[bondSeq[i].second], 1); } } bondSeq = residueDict[m_residueName].residueDoubleBonds(); for (i = 0; i < bondSeq.size(); ++i) { if (m_atomNameMap.find(bondSeq[i].first) != m_atomNameMap.end() && m_atomNameMap.find(bondSeq[i].second) != m_atomNameMap.end()) { mol.addBond(m_atomNameMap[bondSeq[i].first], m_atomNameMap[bondSeq[i].second], 2); } } } } int Residue::atomicNumber(std::string name) const { auto search = m_atomNameMap.find(name); if (search != m_atomNameMap.end()) { return search->second.atomicNumber(); } return 0; } void Residue::setColor(const Vector3ub color) { m_customColorSet = true; m_color = color; } Vector3ub Residue::color() const { if (m_customColorSet) return m_color; // default return a color for the chain int offset = 0; if (m_chainId >= 'A' && m_chainId <= 'Z') offset = m_chainId - 'A'; else if (m_chainId >= 'a' && m_chainId <= 'z') offset = m_chainId - 'a'; else if (m_chainId >= '0' && m_chainId <= '9') offset = m_chainId - '0' + 15; // starts at 'P' return Vector3ub(chain_color[offset]); } bool Residue::hasAtomByIndex(Index index) const { for (const auto& atom : residueAtoms()) { if (atom.index() == index) { return true; } } return false; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/residue.h000066400000000000000000000076141516317240700240450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_RESIDUE_H #define AVOGADRO_CORE_RESIDUE_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include #include #include #include "vector.h" namespace Avogadro::Core { class Atom; class Molecule; /** * @class Residue residue.h * @brief The Residue class represents a chemical residue, used commonly in the * PDB format. */ class AVOGADROCORE_EXPORT Residue { public: /** Type for atom name map. */ using AtomNameMap = std::map; // using codes from MMTF specification // https://github.com/rcsb/mmtf/blob/master/spec.md#secstructlist enum SecondaryStructure { piHelix = 0, // DSSP "I" bend = 1, // DSSP "S" alphaHelix = 2, // DSSP "H" betaSheet = 3, // DSSP "E" helix310 = 4, // DSSP "G" betaBridge = 5, // DSSP "B" turn = 6, // DSSP "T" coil = 7, // DSSP "C" maybeBeta = -3, // potential beta strand undefined = -1 }; /** Creates a new, empty residue. */ Residue() = default; Residue(std::string& name); Residue(std::string& name, Index& number); Residue(std::string& name, Index& number, char& id); Residue(const Residue& other); Residue& operator=(Residue other); virtual ~Residue() = default; std::string residueName() const { return m_residueName; } void setResidueName(std::string& name) { m_residueName = name; } Index residueId() const { return m_residueId; } void setResidueId(Index& number) { m_residueId = number; } char chainId() const { return m_chainId; } void setChainId(const char& id) { m_chainId = id; } SecondaryStructure secondaryStructure() const { return m_secondaryStructure; } void setSecondaryStructure(const SecondaryStructure& ss) { m_secondaryStructure = ss; } /** Adds an atom to the residue class */ void addResidueAtom(const std::string& name, const Atom& atom); /** \return a vector containing the atoms added to the residue */ std::vector residueAtoms() const; /** \return the atom map for the residue */ AtomNameMap& atomNameMap() { return m_atomNameMap; } /** Sets bonds to atoms in the residue based on data from residuedata header */ void resolveResidueBonds(Molecule& mol); /** * \return the atom with the name specified (e.g., "CA") */ Atom atomByName(std::string name) const; /** * \return the atomic number of the atom with the name specified (e.g., "CA" = * "C") */ int atomicNumber(std::string name) const; /** * \return the name of @p atom or an empty string if not in this residue */ std::string atomName(const Atom atom) const; /** * \return the name of atom @p index or an empty string if not in this residue */ std::string atomName(const Index index) const; bool hasAtomByIndex(Index index) const; /** Set whether this residue is a "HET" / "HETATOM" ligand */ void setHeterogen(bool heterogen) { m_heterogen = heterogen; } /** \return is this residue a heterogen (HET / HETATM) */ bool isHeterogen() const { return m_heterogen; } /** Set a custom color for this residue */ void setColor(const Vector3ub color); /** \return the color set for this residue, or a default from the chain id */ Vector3ub color() const; protected: std::string m_residueName; Index m_residueId = std::numeric_limits::max(); char m_chainId = 'A'; AtomNameMap m_atomNameMap; bool m_heterogen = false; Vector3ub m_color = Vector3ub(0, 0, 0); bool m_customColorSet = false; SecondaryStructure m_secondaryStructure = undefined; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_RESIDUE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/residuecolors.h000066400000000000000000000065641516317240700252720ustar00rootroot00000000000000#ifndef AVOGADRO_CORE_RESIDUE_COLORS #define AVOGADRO_CORE_RESIDUE_COLORS namespace Avogadro::Core { unsigned char chain_color[][3] = { // clang-format off // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // # A # B # C # D { 192, 208, 255 },{ 176, 255, 176 },{ 255, 192, 200 },{ 204, 128, 255 }, // # E # F # G # H { 255, 192, 255 },{ 176, 240, 240 },{ 255, 208, 112 },{ 240, 128, 128 }, // # I # J # K # L { 245, 222, 179 },{ 0, 191, 255 }, { 205, 92, 92 }, { 102, 205, 170 }, // # M # N # O # P { 154, 205, 50 }, { 238, 130, 238 },{ 0, 206, 209 }, { 0, 255, 127 }, // # Q # R # S # T { 60, 179, 113 }, { 0, 0, 139 }, { 189, 183, 107 }, { 0, 100, 0 }, // # U # V # W # X { 128, 0, 0 }, { 128, 128, 0 }, { 128, 128, 0 }, { 0, 128, 128 }, // # Y # Z { 184, 134, 11 }, { 178, 34, 34 } // clang-format on }; unsigned char amino_color[][3] = { // clang-format off // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // # Ala # Arg # Asn # Asp { 200, 200, 200 },{ 20, 90, 255 },{ 0, 220, 220 },{ 230, 10, 10 }, // # Cys # Gln # Glu # Gly { 230, 230, 0 },{ 0, 220, 220 },{ 230, 10, 10 },{ 235, 235, 235 }, // # His # Ile # Leu # Lys { 130, 130, 255 },{ 15, 130, 15 },{ 15, 130, 15 },{ 20, 90, 255 }, // # Met # Phe # Pro # Ser { 230, 230, 0 },{ 50, 50, 170 },{ 220, 150, 130 },{ 250, 150, 0 }, // # Thr # Trp # Tyr # Val { 250, 150, 0 },{ 180, 90, 180 },{ 50, 50, 170 },{ 15, 130, 15 }, // # Asx # Glx # Anything else { 255, 105, 180 },{ 255, 105, 180 }, { 190, 160, 110} // clang-format on }; unsigned char shapely_color[][3] = { // clang-format off // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // # Ala # Arg # Asn # Asp { 140, 255, 140 },{ 0, 0, 124 },{ 255, 124, 112 },{ 160, 0, 66 }, // # Cys # Gln # Glu # Gly { 255, 255, 112 },{ 255, 76, 76 },{ 102, 0, 0 },{ 255, 255, 255 }, // # His # Ile # Leu # Lys { 112, 112, 255 },{ 0, 76, 0 },{ 69, 94, 69 },{ 71, 71, 184 }, // # Met # Phe # Pro # Ser { 184, 160, 66 },{ 83, 76, 82 },{ 82, 82, 82 },{ 255, 112, 66 }, // # Thr # Trp # Tyr # Val { 184, 76, 0 },{ 79, 70, 0 },{ 140, 112, 76 },{ 255, 140, 255 }, // # Asx # Glx # Anything else { 255, 0, 255 },{ 255, 0, 255 }, { 255, 0, 255} // clang-format on }; unsigned char secondary_color[][3] = { // clang-format off // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // using codes from MMTF // 0 = pi "I" # bend "S" # alpha "H" # beta "E" { 96, 0, 128 },{ 255, 255, 255 },{ 255, 0, 128 }, { 255, 200, 0 }, // 4 = 3-10 "G" # bridge "B" # turn "T" # coil "C" { 160, 0, 128 },{ 255, 255, 255 },{ 96, 128, 255 }, { 255, 255, 255 } // clang-format on }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/residuedata.h000066400000000000000000003361561516317240700247050ustar00rootroot00000000000000 #ifndef AVOGADRO_CORE_RESIDUE_DATA #define AVOGADRO_CORE_RESIDUE_DATA #include #include #include #include namespace Avogadro::Core { class ResidueData { private: std::string m_residueName; std::map m_residueAtomNames; std::vector> m_residueSingleBonds; std::vector> m_residueDoubleBonds; public: ResidueData() = default; ResidueData(std::string name, std::map atomNames, std::vector> singleBonds, std::vector> doubleBonds) : m_residueName(std::move(name)), m_residueAtomNames(std::move(atomNames)), m_residueSingleBonds(std::move(singleBonds)), m_residueDoubleBonds(std::move(doubleBonds)) { } ResidueData(const ResidueData& other) : m_residueName(other.m_residueName), m_residueAtomNames(other.m_residueAtomNames), m_residueSingleBonds(other.m_residueSingleBonds), m_residueDoubleBonds(other.m_residueDoubleBonds) { } ResidueData(ResidueData&& other) noexcept : m_residueName(std::move(other.m_residueName)), m_residueAtomNames(std::move(other.m_residueAtomNames)), m_residueSingleBonds(std::move(other.m_residueSingleBonds)), m_residueDoubleBonds(std::move(other.m_residueDoubleBonds)) { } ResidueData& operator=(ResidueData other) { using std::swap; swap(*this, other); return *this; } std::map residueAtoms() { return m_residueAtomNames; } std::vector> residueSingleBonds() { return m_residueSingleBonds; } std::vector> residueDoubleBonds() { return m_residueDoubleBonds; } }; ResidueData ALAData("ALA", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HB3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CB", "HB3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData CYSData("CYS", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "SG", 16 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG", 1 }, { "HG", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "SG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "SG", "HG" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData ASPData("ASP", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "OD1", 8 }, { "OD2", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD2", 1 }, { "HD2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "OD2" }, { "OD2", "HD2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "OD1" } }); ResidueData GLUData("GLU", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OE1", 8 }, { "OE2", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE2", 1 }, { "HE2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "OE2" }, { "OE2", "HE2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CD", "OE1" } }); ResidueData PHEData( "PHE", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "CE1", 6 }, { "CE2", 6 }, { "CZ", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HZ", 1 }, { "HZ", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "CE1" }, { "CD1", "HD1" }, { "CD2", "HD2" }, { "CE1", "HE1" }, { "CE2", "CZ" }, { "CE2", "HE2" }, { "CZ", "HZ" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE1", "CZ" } }); ResidueData GLYData("GLY", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA2", 1 }, { "HA3", 1 }, { "HA3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "HA2" }, { "CA", "HA3" }, { "C", "OXT" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData HISData("HIS", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "ND1", 7 }, { "CD2", 6 }, { "CE1", 6 }, { "NE2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "ND1" }, { "ND1", "HD1" }, { "CD2", "NE2" }, { "CD2", "HD2" }, { "CE1", "NE2" }, { "CE1", "HE1" }, { "NE2", "HE2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD2" }, { "ND1", "CE1" } }); ResidueData ILEData( "ILE", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG1", 6 }, { "CG2", 6 }, { "CD1", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG12", 1 }, { "HG13", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HD11", 1 }, { "HD12", 1 }, { "HD13", 1 }, { "HD13", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG1" }, { "CB", "CG2" }, { "CB", "HB" }, { "CG1", "CD1" }, { "CG1", "HG12" }, { "CG1", "HG13" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "CD1", "HD11" }, { "CD1", "HD12" }, { "CD1", "HD13" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData LYSData( "LYS", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "CE", 6 }, { "NZ", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "HZ1", 1 }, { "HZ2", 1 }, { "HZ3", 1 }, { "HZ3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "CE" }, { "CD", "HD2" }, { "CD", "HD3" }, { "CE", "NZ" }, { "CE", "HE2" }, { "CE", "HE3" }, { "NZ", "HZ1" }, { "NZ", "HZ2" }, { "NZ", "HZ3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData LEUData( "LEU", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG", 1 }, { "HD11", 1 }, { "HD12", 1 }, { "HD13", 1 }, { "HD21", 1 }, { "HD22", 1 }, { "HD23", 1 }, { "HD23", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD1" }, { "CG", "CD2" }, { "CG", "HG" }, { "CD1", "HD11" }, { "CD1", "HD12" }, { "CD1", "HD13" }, { "CD2", "HD21" }, { "CD2", "HD22" }, { "CD2", "HD23" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData METData("MET", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "SD", 16 }, { "CE", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "HE3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "SD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "SD", "CE" }, { "CE", "HE1" }, { "CE", "HE2" }, { "CE", "HE3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData ASNData("ASN", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "OD1", 8 }, { "ND2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD21", 1 }, { "HD22", 1 }, { "HD22", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "ND2" }, { "ND2", "HD21" }, { "ND2", "HD22" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "OD1" } }); ResidueData PROData("PRO", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OXT", 8 }, { "H", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HD3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "CD" }, { "N", "H" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "HD2" }, { "CD", "HD3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData GLNData( "GLN", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OE1", 8 }, { "NE2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE21", 1 }, { "HE22", 1 }, { "HE22", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "NE2" }, { "NE2", "HE21" }, { "NE2", "HE22" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CD", "OE1" } }); ResidueData ARGData( "ARG", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "NE", 7 }, { "CZ", 6 }, { "NH1", 7 }, { "NH2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HE", 1 }, { "HH11", 1 }, { "HH12", 1 }, { "HH21", 1 }, { "HH22", 1 }, { "HH22", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "NE" }, { "CD", "HD2" }, { "CD", "HD3" }, { "NE", "CZ" }, { "NE", "HE" }, { "CZ", "NH1" }, { "NH1", "HH11" }, { "NH1", "HH12" }, { "NH2", "HH21" }, { "NH2", "HH22" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CZ", "NH2" } }); ResidueData SERData("SER", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "OG", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG", 1 }, { "HG", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "OG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "OG", "HG" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData THRData("THR", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "OG1", 8 }, { "CG2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG1", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HG23", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "OG1" }, { "CB", "CG2" }, { "CB", "HB" }, { "OG1", "HG1" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData VALData("VAL", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG1", 6 }, { "CG2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG11", 1 }, { "HG12", 1 }, { "HG13", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HG23", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG1" }, { "CB", "CG2" }, { "CB", "HB" }, { "CG1", "HG11" }, { "CG1", "HG12" }, { "CG1", "HG13" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData TRPData( "TRP", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "NE1", 7 }, { "CE2", 6 }, { "CE3", 6 }, { "CZ2", 6 }, { "CZ3", 6 }, { "CH2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HE1", 1 }, { "HE3", 1 }, { "HZ2", 1 }, { "HZ3", 1 }, { "HH2", 1 }, { "HH2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "NE1" }, { "CD1", "HD1" }, { "CD2", "CE3" }, { "NE1", "CE2" }, { "NE1", "HE1" }, { "CE2", "CZ2" }, { "CE3", "HE3" }, { "CZ2", "HZ2" }, { "CZ3", "CH2" }, { "CZ3", "HZ3" }, { "CH2", "HH2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE3", "CZ3" }, { "CZ2", "CH2" } }); ResidueData TYRData( "TYR", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "CE1", 6 }, { "CE2", 6 }, { "CZ", 6 }, { "OH", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HH", 1 }, { "HH", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "CE1" }, { "CD1", "HD1" }, { "CD2", "HD2" }, { "CE1", "HE1" }, { "CE2", "CZ" }, { "CE2", "HE2" }, { "CZ", "OH" }, { "OH", "HH" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE1", "CZ" } }); ResidueData DAData( "DA", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H61", 1 }, { "H62", 1 }, { "H62", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "H61" }, { "N6", "H62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData DCData( "DC", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H41", 1 }, { "H42", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "C4", "N4" }, { "C4", "C5" }, { "N4", "H41" }, { "N4", "H42" }, { "C5", "H5" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "N3", "C4" }, { "C5", "C6" } }); ResidueData DGData( "DG", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H21", 1 }, { "H21", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "N2" }, { "N2", "H21" }, { "N2", "H22" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData DTData( "DT", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C5", 6 }, { "C7", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H3", 1 }, { "H71", 1 }, { "H72", 1 }, { "H73", 1 }, { "H73", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "H3" }, { "C4", "C5" }, { "C5", "C7" }, { "C7", "H71" }, { "C7", "H72" }, { "C7", "H73" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "C4", "O4" }, { "C5", "C6" } }); ResidueData DIData( "DI", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H1", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData AData( "A", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H61", 1 }, { "H62", 1 }, { "H62", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "H61" }, { "N6", "H62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData CData( "C", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H41", 1 }, { "H42", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "C4", "N4" }, { "C4", "C5" }, { "N4", "H41" }, { "N4", "H42" }, { "C5", "H5" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "N3", "C4" }, { "C5", "C6" } }); ResidueData GData( "G", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H21", 1 }, { "H21", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "N2" }, { "N2", "H21" }, { "N2", "H22" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData UData( "U", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C5", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H3", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "H3" }, { "C4", "C5" }, { "C5", "H5" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "C4", "O4" }, { "C5", "C6" } }); ResidueData IData( "I", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H1", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData HEMData( "HEM", // Atoms { { "CHA", 6 }, { "CHB", 6 }, { "CHC", 6 }, { "CHD", 6 }, { "C1A", 6 }, { "C2A", 6 }, { "C3A", 6 }, { "C4A", 6 }, { "CMA", 6 }, { "CAA", 6 }, { "CBA", 6 }, { "CGA", 6 }, { "O1A", 8 }, { "O2A", 8 }, { "C1B", 6 }, { "C2B", 6 }, { "C3B", 6 }, { "C4B", 6 }, { "CMB", 6 }, { "CAB", 6 }, { "CBB", 6 }, { "C1C", 6 }, { "C2C", 6 }, { "C3C", 6 }, { "C4C", 6 }, { "CMC", 6 }, { "CAC", 6 }, { "CBC", 6 }, { "C1D", 6 }, { "C2D", 6 }, { "C3D", 6 }, { "C4D", 6 }, { "CMD", 6 }, { "CAD", 6 }, { "CBD", 6 }, { "CGD", 6 }, { "O1D", 8 }, { "O2D", 8 }, { "NA", 7 }, { "NB", 7 }, { "NC", 7 }, { "ND", 7 }, { "FE", 26 }, { "HHB", 1 }, { "HHC", 1 }, { "HHD", 1 }, { "HMA", 1 }, { "HMAA", 1 }, { "HMAB", 1 }, { "HAA", 1 }, { "HAAA", 1 }, { "HBA", 1 }, { "HBAA", 1 }, { "HMB", 1 }, { "HMBA", 1 }, { "HMBB", 1 }, { "HAB", 1 }, { "HBB", 1 }, { "HBBA", 1 }, { "HMC", 1 }, { "HMCA", 1 }, { "HMCB", 1 }, { "HAC", 1 }, { "HBC", 1 }, { "HBCA", 1 }, { "HMD", 1 }, { "HMDA", 1 }, { "HMDB", 1 }, { "HAD", 1 }, { "HADA", 1 }, { "HBD", 1 }, { "HBDA", 1 }, { "H2A", 1 }, { "H2D", 1 }, { "H2D", 1 } }, // Single Bonds { { "CHA", "C1A" }, { "CHA", "HHA" }, { "CHB", "C4A" }, { "CHB", "HHB" }, { "CHC", "C4B" }, { "CHC", "HHC" }, { "CHD", "C1D" }, { "CHD", "HHD" }, { "C1A", "NA" }, { "C2A", "C3A" }, { "C2A", "CAA" }, { "C3A", "CMA" }, { "C4A", "NA" }, { "CMA", "HMA" }, { "CMA", "HMAA" }, { "CMA", "HMAB" }, { "CAA", "CBA" }, { "CAA", "HAA" }, { "CAA", "HAAA" }, { "CBA", "CGA" }, { "CBA", "HBA" }, { "CBA", "HBAA" }, { "CGA", "O2A" }, { "O2A", "H2A" }, { "C1B", "C2B" }, { "C1B", "NB" }, { "C2B", "CMB" }, { "C3B", "C4B" }, { "C3B", "CAB" }, { "CMB", "HMB" }, { "CMB", "HMBA" }, { "CMB", "HMBB" }, { "CAB", "HAB" }, { "CBB", "HBB" }, { "CBB", "HBBA" }, { "C1C", "C2C" }, { "C1C", "NC" }, { "C2C", "CMC" }, { "C3C", "C4C" }, { "C3C", "CAC" }, { "C4C", "NC" }, { "CMC", "HMC" }, { "CMC", "HMCA" }, { "CMC", "HMCB" }, { "CAC", "HAC" }, { "CBC", "HBC" }, { "CBC", "HBCA" }, { "C1D", "C2D" }, { "C2D", "CMD" }, { "C3D", "C4D" }, { "C3D", "CAD" }, { "C4D", "ND" }, { "CMD", "HMD" }, { "CMD", "HMDA" }, { "CMD", "HMDB" }, { "CAD", "CBD" }, { "CAD", "HAD" }, { "CAD", "HADA" }, { "CBD", "CGD" }, { "CBD", "HBD" }, { "CBD", "HBDA" }, { "CGD", "O2D" }, { "O2D", "H2D" }, { "FE", "NA" }, { "FE", "NB" }, { "FE", "NC" }, { "FE", "ND" } }, // Double Bonds { { "CHA", "C4D" }, { "CHB", "C1B" }, { "CHC", "C1C" }, { "CHD", "C4C" }, { "C1A", "C2A" }, { "C3A", "C4A" }, { "CGA", "O1A" }, { "C2B", "C3B" }, { "C4B", "NB" }, { "CAB", "CBB" }, { "C2C", "C3C" }, { "CAC", "CBC" }, { "C1D", "ND" }, { "C2D", "C3D" }, { "CGD", "O1D" } }); ResidueData HOHData("HOH", // Atoms { { "O", 8 }, { "H1", 1 }, { "H1", 1 } }, // Single Bonds { { "O", "H1" }, { "O", "H2" } }, // Double Bonds {}); ResidueData SO4Data( "SO4", // Atoms { { "S", 16 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O3", 8 } }, // Single Bonds { { "S", "O3" }, { "S", "O4" } }, // Double Bonds { { "S", "O1" }, { "S", "O2" } }); ResidueData GOLData("GOL", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "O3", 8 }, { "H11", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H2", 1 }, { "HO2", 1 }, { "H31", 1 }, { "H32", 1 }, { "H32", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "C3" }, { "C2", "H2" }, { "O2", "HO2" }, { "C3", "O3" }, { "C3", "H31" }, { "C3", "H32" }, { "O3", "HO3" } }, // Double Bonds {}); ResidueData EDOData("EDO", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "H11", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H21", 1 }, { "H22", 1 }, { "H22", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "O2", "HO2" } }, // Double Bonds {}); ResidueData MSEData("MSE", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CB", 6 }, { "CG", 6 }, { "SE", 34 }, { "CE", 6 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HXT", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "OXT", "HXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "SE" }, { "CG", "HG2" }, { "CG", "HG3" }, { "SE", "CE" }, { "CE", "HE1" }, { "CE", "HE2" }, { "CE", "HE3" } }, // Double Bonds { { "C", "O" } }); ResidueData NAGData( "NAG", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "C7", 6 }, { "C8", 6 }, { "N2", 7 }, { "O1", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "O7", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "H81", 1 }, { "H82", 1 }, { "H83", 1 }, { "HN2", 1 }, { "HO1", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "N2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "C7", "C8" }, { "C7", "N2" }, { "C8", "H81" }, { "C8", "H82" }, { "C8", "H83" }, { "N2", "HN2" }, { "O1", "HO1" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds { { "C7", "O7" } }); ResidueData PO4Data( "PO4", // Atoms { { "P", 15 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O3", 8 } }, // Single Bonds { { "P", "O2" }, { "P", "O3" }, { "P", "O4" } }, // Double Bonds { { "P", "O1" } }); ResidueData ACTData("ACT", // Atoms { { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CH3", 6 }, { "H1", 1 }, { "H2", 1 }, { "H2", 1 } }, // Single Bonds { { "C", "OXT" }, { "C", "CH3" }, { "CH3", "H1" }, { "CH3", "H2" }, { "CH3", "H3" } }, // Double Bonds { { "C", "O" } }); ResidueData PEGData("PEG", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "C4", 6 }, { "O4", 8 }, { "H11", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "H41", 1 }, { "H42", 1 }, { "H42", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "O2", "C3" }, { "C3", "C4" }, { "C3", "H31" }, { "C3", "H32" }, { "C4", "O4" }, { "C4", "H41" }, { "C4", "H42" }, { "O4", "HO4" } }, // Double Bonds {}); ResidueData BMAData( "BMA", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData MANData( "MAN", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData DMSData("DMS", // Atoms { { "S", 16 }, { "O", 8 }, { "C1", 6 }, { "C2", 6 }, { "H11", 1 }, { "H12", 1 }, { "H13", 1 }, { "H21", 1 }, { "H22", 1 }, { "H22", 1 } }, // Single Bonds { { "S", "C1" }, { "S", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C1", "H13" }, { "C2", "H21" }, { "C2", "H22" }, { "C2", "H23" } }, // Double Bonds { { "S", "O" } }); ResidueData ADPData( "ADP", // Atoms { { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3B", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOB2", 1 }, { "HOB3", 1 }, { "HOA2", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "PB", "O2B" }, { "PB", "O3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3B", "HOB3" }, { "PA", "O2A" }, { "PA", "O3A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData FADData( "FAD", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C4X", 6 }, { "N5", 7 }, { "C5X", 6 }, { "C6", 6 }, { "C7", 6 }, { "C7M", 6 }, { "C8", 6 }, { "C8M", 6 }, { "C9", 6 }, { "C9A", 6 }, { "N10", 7 }, { "C10", 6 }, { "C1'", 6 }, { "C2'", 6 }, { "O2'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C4'", 6 }, { "O4'", 8 }, { "C5'", 6 }, { "O5'", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "HO2A", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "HN3", 1 }, { "H6", 1 }, { "HM71", 1 }, { "HM72", 1 }, { "HM73", 1 }, { "HM81", 1 }, { "HM82", 1 }, { "HM83", 1 }, { "H9", 1 }, { "H1'1", 1 }, { "H1'2", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H4'", 1 }, { "HO4'", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H5'2", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3P" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "HO2A" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "N1", "C2" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "C4X" }, { "C4X", "C10" }, { "N5", "C5X" }, { "C5X", "C9A" }, { "C6", "C7" }, { "C6", "H6" }, { "C7", "C7M" }, { "C7M", "HM71" }, { "C7M", "HM72" }, { "C7M", "HM73" }, { "C8", "C8M" }, { "C8", "C9" }, { "C8M", "HM81" }, { "C8M", "HM82" }, { "C8M", "HM83" }, { "C9", "H9" }, { "C9A", "N10" }, { "N10", "C10" }, { "N10", "C1'" }, { "C1'", "C2'" }, { "C1'", "H1'1" }, { "C1'", "H1'2" }, { "C2'", "O2'" }, { "C2'", "C3'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C3'", "O3'" }, { "C3'", "C4'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C4'", "O4'" }, { "C4'", "C5'" }, { "C4'", "H4'" }, { "O4'", "HO4'" }, { "C5'", "O5'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "O5'", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "N1", "C10" }, { "C2", "O2" }, { "C4", "O4" }, { "C4X", "N5" }, { "C5X", "C6" }, { "C7", "C8" }, { "C9", "C9A" }, { "P", "O1P" } }); ResidueData ACEData("ACE", // Atoms { { "C", 6 }, { "O", 8 }, { "CH3", 6 }, { "H", 1 }, { "H1", 1 }, { "H2", 1 }, { "H2", 1 } }, // Single Bonds { { "C", "CH3" }, { "C", "H" }, { "CH3", "H1" }, { "CH3", "H2" }, { "CH3", "H3" } }, // Double Bonds { { "C", "O" } }); ResidueData MPDData("MPD", // Atoms { { "C1", 6 }, { "C2", 6 }, { "O2", 8 }, { "CM", 6 }, { "C3", 6 }, { "C4", 6 }, { "O4", 8 }, { "C5", 6 }, { "H11", 1 }, { "H12", 1 }, { "H13", 1 }, { "HO2", 1 }, { "HM1", 1 }, { "HM2", 1 }, { "HM3", 1 }, { "H31", 1 }, { "H32", 1 }, { "H4", 1 }, { "HO4", 1 }, { "H51", 1 }, { "H52", 1 }, { "H52", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C1", "H13" }, { "C2", "O2" }, { "C2", "CM" }, { "C2", "C3" }, { "O2", "HO2" }, { "CM", "HM1" }, { "CM", "HM2" }, { "CM", "HM3" }, { "C3", "C4" }, { "C3", "H31" }, { "C3", "H32" }, { "C4", "O4" }, { "C4", "C5" }, { "C4", "H4" }, { "O4", "HO4" }, { "C5", "H51" }, { "C5", "H52" }, { "C5", "H53" } }, // Double Bonds {}); ResidueData GLCData( "GLC", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData ATPData( "ATP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3B", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HOB2", 1 }, { "HOA2", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "O3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "PB", "O2B" }, { "PB", "O3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "PA", "O2A" }, { "PA", "O3A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData MESData( "MES", // Atoms { { "O1", 8 }, { "C2", 6 }, { "C3", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "C7", 6 }, { "C8", 6 }, { "S", 16 }, { "O1S", 8 }, { "O2S", 8 }, { "O3S", 8 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "HN4", 1 }, { "H51", 1 }, { "H52", 1 }, { "H61", 1 }, { "H62", 1 }, { "H71", 1 }, { "H72", 1 }, { "H81", 1 }, { "H81", 1 } }, // Single Bonds { { "O1", "C2" }, { "O1", "C6" }, { "C2", "C3" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "N4" }, { "C3", "H31" }, { "C3", "H32" }, { "N4", "C5" }, { "N4", "C7" }, { "N4", "HN4" }, { "C5", "C6" }, { "C5", "H51" }, { "C5", "H52" }, { "C6", "H61" }, { "C6", "H62" }, { "C7", "C8" }, { "C7", "H71" }, { "C7", "H72" }, { "C8", "S" }, { "C8", "H81" }, { "C8", "H82" }, { "S", "O3S" } }, // Double Bonds { { "S", "O1S" }, { "S", "O2S" } }); ResidueData TRSData("TRS", // Atoms { { "C", 6 }, { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "N", 7 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "H11", 1 }, { "H12", 1 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "HN1", 1 }, { "HN2", 1 }, { "HN3", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO2", 1 } }, // Single Bonds { { "C", "C1" }, { "C", "C2" }, { "C", "C3" }, { "C", "N" }, { "C1", "O1" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "O3" }, { "C3", "H31" }, { "C3", "H32" }, { "N", "HN1" }, { "N", "HN2" }, { "N", "HN3" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" } }, // Double Bonds {}); ResidueData PG4Data( "PG4", // Atoms { { "O1", 8 }, { "C1", 6 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "C4", 6 }, { "O3", 8 }, { "C5", 6 }, { "C6", 6 }, { "O4", 8 }, { "C7", 6 }, { "C8", 6 }, { "O5", 8 }, { "HO1", 1 }, { "H11", 1 }, { "H12", 1 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "H41", 1 }, { "H42", 1 }, { "H51", 1 }, { "H52", 1 }, { "H61", 1 }, { "H62", 1 }, { "H71", 1 }, { "H72", 1 }, { "H81", 1 }, { "H82", 1 }, { "H82", 1 } }, // Single Bonds { { "O1", "C1" }, { "O1", "HO1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "O2", "C3" }, { "C3", "C4" }, { "C3", "H31" }, { "C3", "H32" }, { "C4", "O3" }, { "C4", "H41" }, { "C4", "H42" }, { "O3", "C5" }, { "C5", "C6" }, { "C5", "H51" }, { "C5", "H52" }, { "C6", "O4" }, { "C6", "H61" }, { "C6", "H62" }, { "O4", "C7" }, { "C7", "C8" }, { "C7", "H71" }, { "C7", "H72" }, { "C8", "O5" }, { "C8", "H81" }, { "C8", "H82" }, { "O5", "HO5" } }, // Double Bonds {}); ResidueData PGEData( "PGE", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "C4", 6 }, { "O4", 8 }, { "C6", 6 }, { "C5", 6 }, { "O3", 8 }, { "H1", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H2", 1 }, { "H22", 1 }, { "H3", 1 }, { "H32", 1 }, { "H4", 1 }, { "H42", 1 }, { "HO4", 1 }, { "H6", 1 }, { "H62", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H1" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "H2" }, { "C2", "H22" }, { "O2", "C3" }, { "C3", "C4" }, { "C3", "H3" }, { "C3", "H32" }, { "C4", "O3" }, { "C4", "H4" }, { "C4", "H42" }, { "O4", "C6" }, { "O4", "HO4" }, { "C6", "C5" }, { "C6", "H6" }, { "C6", "H62" }, { "C5", "O3" }, { "C5", "H5" }, { "C5", "H52" } }, // Double Bonds {}); ResidueData NADData( "NAD", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "O3", 8 }, { "PN", 15 }, { "O1N", 8 }, { "O2N", 8 }, { "O5D", 8 }, { "C5D", 6 }, { "C4D", 6 }, { "O4D", 8 }, { "C3D", 6 }, { "O3D", 8 }, { "C2D", 6 }, { "O2D", 8 }, { "C1D", 6 }, { "N1N", 7 }, { "C2N", 6 }, { "C3N", 6 }, { "C7N", 6 }, { "O7N", 8 }, { "N7N", 7 }, { "C4N", 6 }, { "C5N", 6 }, { "C6N", 6 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "HO2A", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "H51N", 1 }, { "H52N", 1 }, { "H4D", 1 }, { "H3D", 1 }, { "HO3N", 1 }, { "H2D", 1 }, { "HO2N", 1 }, { "H1D", 1 }, { "H2N", 1 }, { "H71N", 1 }, { "H72N", 1 }, { "H4N", 1 }, { "H5N", 1 }, { "H5N", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "HO2A" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "O3", "PN" }, { "PN", "O2N" }, { "PN", "O5D" }, { "O5D", "C5D" }, { "C5D", "C4D" }, { "C5D", "H51N" }, { "C5D", "H52N" }, { "C4D", "O4D" }, { "C4D", "C3D" }, { "C4D", "H4D" }, { "O4D", "C1D" }, { "C3D", "O3D" }, { "C3D", "C2D" }, { "C3D", "H3D" }, { "O3D", "HO3N" }, { "C2D", "O2D" }, { "C2D", "C1D" }, { "C2D", "H2D" }, { "O2D", "HO2N" }, { "C1D", "N1N" }, { "C1D", "H1D" }, { "N1N", "C2N" }, { "C2N", "H2N" }, { "C3N", "C7N" }, { "C3N", "C4N" }, { "C7N", "N7N" }, { "N7N", "H71N" }, { "N7N", "H72N" }, { "C4N", "H4N" }, { "C5N", "C6N" }, { "C5N", "H5N" }, { "C6N", "H6N" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "PN", "O1N" }, { "N1N", "C6N" }, { "C2N", "C3N" }, { "C7N", "O7N" }, { "C4N", "C5N" } }); ResidueData FUCData( "FUC", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "H63", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO3", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "H61" }, { "C6", "H62" }, { "C6", "H63" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" } }, // Double Bonds {}); ResidueData NH2Data("NH2", // Atoms { { "N", 7 }, { "HN1", 1 }, { "HN1", 1 } }, // Single Bonds { { "N", "HN1" }, { "N", "HN2" } }, // Double Bonds {}); ResidueData FMTData( "FMT", // Atoms { { "C", 6 }, { "O1", 8 }, { "O2", 8 }, { "H", 1 }, { "H", 1 } }, // Single Bonds { { "C", "O2" }, { "C", "H" }, { "O2", "HO2" } }, // Double Bonds { { "C", "O1" } }); ResidueData NAPData( "NAP", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "O3", 8 }, { "PN", 15 }, { "O1N", 8 }, { "O2N", 8 }, { "O5D", 8 }, { "C5D", 6 }, { "C4D", 6 }, { "O4D", 8 }, { "C3D", 6 }, { "O3D", 8 }, { "C2D", 6 }, { "O2D", 8 }, { "C1D", 6 }, { "N1N", 7 }, { "C2N", 6 }, { "C3N", 6 }, { "C7N", 6 }, { "O7N", 8 }, { "N7N", 7 }, { "C4N", 6 }, { "C5N", 6 }, { "C6N", 6 }, { "P2B", 15 }, { "O1X", 8 }, { "O2X", 8 }, { "O3X", 8 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "H51N", 1 }, { "H52N", 1 }, { "H4D", 1 }, { "H3D", 1 }, { "HO3N", 1 }, { "H2D", 1 }, { "HO2N", 1 }, { "H1D", 1 }, { "H2N", 1 }, { "H71N", 1 }, { "H72N", 1 }, { "H4N", 1 }, { "H5N", 1 }, { "H6N", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "P2B" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "O3", "PN" }, { "PN", "O2N" }, { "PN", "O5D" }, { "O5D", "C5D" }, { "C5D", "C4D" }, { "C5D", "H51N" }, { "C5D", "H52N" }, { "C4D", "O4D" }, { "C4D", "C3D" }, { "C4D", "H4D" }, { "O4D", "C1D" }, { "C3D", "O3D" }, { "C3D", "C2D" }, { "C3D", "H3D" }, { "O3D", "HO3N" }, { "C2D", "O2D" }, { "C2D", "C1D" }, { "C2D", "H2D" }, { "O2D", "HO2N" }, { "C1D", "N1N" }, { "C1D", "H1D" }, { "N1N", "C2N" }, { "C2N", "H2N" }, { "C3N", "C7N" }, { "C3N", "C4N" }, { "C7N", "N7N" }, { "N7N", "H71N" }, { "N7N", "H72N" }, { "C4N", "H4N" }, { "C5N", "C6N" }, { "C5N", "H5N" }, { "C6N", "H6N" }, { "P2B", "O2X" }, { "P2B", "O3X" }, { "O2X", "HOP2" }, { "O3X", "HOP3" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "PN", "O1N" }, { "N1N", "C6N" }, { "C2N", "C3N" }, { "C7N", "O7N" }, { "C4N", "C5N" }, { "P2B", "O1X" } }); ResidueData SEPData("SEP", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "OG", 8 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HXT", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "OG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "OG", "P" }, { "C", "OXT" }, { "OXT", "HXT" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" } }, // Double Bonds { { "C", "O" }, { "P", "O1P" } }); ResidueData GDPData( "GDP", // Atoms { { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3B", 8 }, { "O3A", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOB2", 1 }, { "HOB3", 1 }, { "HOA2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN1", 1 }, { "HN21", 1 }, { "HN21", 1 } }, // Single Bonds { { "PB", "O2B" }, { "PB", "O3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3B", "HOB3" }, { "O3A", "PA" }, { "PA", "O2A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "HN1" }, { "C2", "N2" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" } }, // Double Bonds { { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData GALData( "GAL", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData SF4Data("SF4", // Atoms { { "FE1", 26 }, { "FE2", 26 }, { "FE3", 26 }, { "FE4", 26 }, { "S1", 16 }, { "S2", 16 }, { "S3", 16 }, { "S3", 16 } }, // Single Bonds { { "FE1", "S2" }, { "FE1", "S3" }, { "FE1", "S4" }, { "FE2", "S1" }, { "FE2", "S3" }, { "FE2", "S4" }, { "FE3", "S1" }, { "FE3", "S2" }, { "FE3", "S4" }, { "FE4", "S1" }, { "FE4", "S2" }, { "FE4", "S3" } }, // Double Bonds {}); ResidueData BGCData( "BGC", // Atoms { { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "C1", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "H1", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C2", "C3" }, { "C2", "C1" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData FMNData( "FMN", // Atoms { { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C4A", 6 }, { "N5", 7 }, { "C5A", 6 }, { "C6", 6 }, { "C7", 6 }, { "C7M", 6 }, { "C8", 6 }, { "C8M", 6 }, { "C9", 6 }, { "C9A", 6 }, { "N10", 7 }, { "C10", 6 }, { "C1'", 6 }, { "C2'", 6 }, { "O2'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C4'", 6 }, { "O4'", 8 }, { "C5'", 6 }, { "O5'", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "HN3", 1 }, { "H6", 1 }, { "HM71", 1 }, { "HM72", 1 }, { "HM73", 1 }, { "HM81", 1 }, { "HM82", 1 }, { "HM83", 1 }, { "H9", 1 }, { "H1'1", 1 }, { "H1'2", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H4'", 1 }, { "HO4'", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "N1", "C2" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "C4A" }, { "C4A", "C10" }, { "N5", "C5A" }, { "C5A", "C9A" }, { "C6", "C7" }, { "C6", "H6" }, { "C7", "C7M" }, { "C7M", "HM71" }, { "C7M", "HM72" }, { "C7M", "HM73" }, { "C8", "C8M" }, { "C8", "C9" }, { "C8M", "HM81" }, { "C8M", "HM82" }, { "C8M", "HM83" }, { "C9", "H9" }, { "C9A", "N10" }, { "N10", "C10" }, { "N10", "C1'" }, { "C1'", "C2'" }, { "C1'", "H1'1" }, { "C1'", "H1'2" }, { "C2'", "O2'" }, { "C2'", "C3'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C3'", "O3'" }, { "C3'", "C4'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C4'", "O4'" }, { "C4'", "C5'" }, { "C4'", "H4'" }, { "O4'", "HO4'" }, { "C5'", "O5'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "O5'", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" } }, // Double Bonds { { "N1", "C10" }, { "C2", "O2" }, { "C4", "O4" }, { "C4A", "N5" }, { "C5A", "C6" }, { "C7", "C8" }, { "C9", "C9A" }, { "P", "O1P" } }); ResidueData UNKData("UNK", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HG3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CG", "HG1" }, { "CG", "HG2" }, { "CG", "HG3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData CITData("CIT", // Atoms { { "C1", 6 }, { "O1", 8 }, { "O2", 8 }, { "C2", 6 }, { "C3", 6 }, { "O7", 8 }, { "C4", 6 }, { "C5", 6 }, { "O3", 8 }, { "O4", 8 }, { "C6", 6 }, { "O5", 8 }, { "O6", 8 }, { "HO2", 1 }, { "H21", 1 }, { "H22", 1 }, { "HO7", 1 }, { "H41", 1 }, { "H42", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "O2" }, { "C1", "C2" }, { "O2", "HO2" }, { "C2", "C3" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "O7" }, { "C3", "C4" }, { "C3", "C6" }, { "O7", "HO7" }, { "C4", "C5" }, { "C4", "H41" }, { "C4", "H42" }, { "C5", "O4" }, { "O4", "HO4" }, { "C6", "O6" }, { "O6", "HO6" } }, // Double Bonds { { "C1", "O1" }, { "C5", "O3" }, { "C6", "O5" } }); ResidueData EPEData( "EPE", // Atoms { { "N1", 7 }, { "C2", 6 }, { "C3", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "C7", 6 }, { "C8", 6 }, { "O8", 8 }, { "C9", 6 }, { "C10", 6 }, { "S", 16 }, { "O1S", 8 }, { "O2S", 8 }, { "O3S", 8 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "H51", 1 }, { "H52", 1 }, { "H61", 1 }, { "H62", 1 }, { "H71", 1 }, { "H72", 1 }, { "H81", 1 }, { "H82", 1 }, { "HO8", 1 }, { "H91", 1 }, { "H92", 1 }, { "H101", 1 }, { "H102", 1 }, { "H102", 1 } }, // Single Bonds { { "N1", "C2" }, { "N1", "C6" }, { "N1", "C9" }, { "C2", "C3" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "N4" }, { "C3", "H31" }, { "C3", "H32" }, { "N4", "C5" }, { "N4", "C7" }, { "C5", "C6" }, { "C5", "H51" }, { "C5", "H52" }, { "C6", "H61" }, { "C6", "H62" }, { "C7", "C8" }, { "C7", "H71" }, { "C7", "H72" }, { "C8", "O8" }, { "C8", "H81" }, { "C8", "H82" }, { "O8", "HO8" }, { "C9", "C10" }, { "C9", "H91" }, { "C9", "H92" }, { "C10", "S" }, { "C10", "H101" }, { "C10", "H102" }, { "S", "O3S" }, { "O3S", "HOS3" } }, // Double Bonds { { "S", "O1S" }, { "S", "O2S" } }); ResidueData TPOData( "TPO", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG2", 6 }, { "OG1", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HOP2", 1 }, { "HOP3", 1 }, { "HOP3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG2" }, { "CB", "OG1" }, { "CB", "HB" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "OG1", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" }, { "C", "OXT" }, { "OXT", "HXT" } }, // Double Bonds { { "P", "O1P" }, { "C", "O" } }); ResidueData PLPData( "PLP", // Atoms { { "N1", 7 }, { "C2", 6 }, { "C2A", 6 }, { "C3", 6 }, { "O3", 8 }, { "C4", 6 }, { "C4A", 6 }, { "O4A", 8 }, { "C5", 6 }, { "C6", 6 }, { "C5A", 6 }, { "O4P", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "H2A1", 1 }, { "H2A2", 1 }, { "H2A3", 1 }, { "HO3", 1 }, { "H4A", 1 }, { "H6", 1 }, { "H5A1", 1 }, { "H5A2", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "N1", "C6" }, { "C2", "C2A" }, { "C2", "C3" }, { "C2A", "H2A1" }, { "C2A", "H2A2" }, { "C2A", "H2A3" }, { "C3", "O3" }, { "O3", "HO3" }, { "C4", "C4A" }, { "C4", "C5" }, { "C4A", "H4A" }, { "C5", "C5A" }, { "C6", "H6" }, { "C5A", "O4P" }, { "C5A", "H5A1" }, { "C5A", "H5A2" }, { "O4P", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" } }, // Double Bonds { { "N1", "C2" }, { "C3", "C4" }, { "C4A", "O4A" }, { "C5", "C6" }, { "P", "O1P" } }); ResidueData GTPData( "GTP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "O3B", 8 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3A", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HOB2", 1 }, { "HOA2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN1", 1 }, { "HN21", 1 }, { "HN21", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "O3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "O3B", "PB" }, { "PB", "O2B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3A", "PA" }, { "PA", "O2A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "HN1" }, { "C2", "N2" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData SAHData( "SAH", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG", 6 }, { "SD", 16 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HN1", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HXT", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "HN1" }, { "N", "HN2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CG", "SD" }, { "CG", "HG1" }, { "CG", "HG2" }, { "SD", "C5'" }, { "C", "OXT" }, { "OXT", "HXT" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "C", "O" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData BMEData("BME", // Atoms { { "C1", 6 }, { "C2", 6 }, { "O1", 8 }, { "S2", 16 }, { "H11", 1 }, { "H12", 1 }, { "H21", 1 }, { "H22", 1 }, { "HO1", 1 }, { "HO1", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "S2" }, { "C2", "H21" }, { "C2", "H22" }, { "O1", "HO1" }, { "S2", "HS2" } }, // Double Bonds {}); ResidueData ACYData("ACY", // Atoms { { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CH3", 6 }, { "HXT", 1 }, { "H1", 1 }, { "H2", 1 }, { "H2", 1 } }, // Single Bonds { { "C", "OXT" }, { "C", "CH3" }, { "OXT", "HXT" }, { "CH3", "H1" }, { "CH3", "H2" }, { "CH3", "H3" } }, // Double Bonds { { "C", "O" } }); ResidueData ANPData( "ANP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "N3B", 7 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HOB2", 1 }, { "HNB1", 1 }, { "HOA2", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "N3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "PB", "O2B" }, { "PB", "N3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "N3B", "HNB1" }, { "PA", "O2A" }, { "PA", "O3A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData IMDData("IMD", // Atoms { { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "C5", 6 }, { "HN1", 1 }, { "H2", 1 }, { "HN3", 1 }, { "H4", 1 }, { "H4", 1 } }, // Single Bonds { { "N1", "C2" }, { "N1", "C5" }, { "N1", "HN1" }, { "C2", "H2" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "H4" }, { "C5", "H5" } }, // Double Bonds { { "C2", "N3" }, { "C4", "C5" } }); ResidueData PCAData("PCA", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OE", 8 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "H", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HG3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "CD" }, { "N", "H" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "C", "OXT" }, { "OXT", "HXT" } }, // Double Bonds { { "CD", "OE" }, { "C", "O" } }); ResidueData CSOData("CSO", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "SG", 16 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "OD", 8 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HXT", 1 }, { "HXT", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "SG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "SG", "OD" }, { "C", "OXT" }, { "OXT", "HXT" }, { "OD", "HD" } }, // Double Bonds { { "C", "O" } }); ResidueData MLIData("MLI", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "O6", 8 }, { "O7", 8 }, { "O8", 8 }, { "O9", 8 }, { "H11", 1 }, { "H11", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "C3" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "O7" }, { "C3", "O9" } }, // Double Bonds { { "C2", "O6" }, { "C3", "O8" } }); ResidueData FESData( "FES", // Atoms { { "FE1", 26 }, { "FE2", 26 }, { "S1", 16 }, { "S1", 16 } }, // Single Bonds { { "FE1", "S1" }, { "FE1", "S2" }, { "FE2", "S1" }, { "FE2", "S2" } }, // Double Bonds {}); ResidueData NDPData( "NDP", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "O3", 8 }, { "PN", 15 }, { "O1N", 8 }, { "O2N", 8 }, { "O5D", 8 }, { "C5D", 6 }, { "C4D", 6 }, { "O4D", 8 }, { "C3D", 6 }, { "O3D", 8 }, { "C2D", 6 }, { "O2D", 8 }, { "C1D", 6 }, { "N1N", 7 }, { "C2N", 6 }, { "C3N", 6 }, { "C7N", 6 }, { "O7N", 8 }, { "N7N", 7 }, { "C4N", 6 }, { "C5N", 6 }, { "C6N", 6 }, { "P2B", 15 }, { "O1X", 8 }, { "O2X", 8 }, { "O3X", 8 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "H21N", 1 }, { "H51N", 1 }, { "H52N", 1 }, { "H4D", 1 }, { "H3D", 1 }, { "HO3N", 1 }, { "H2D", 1 }, { "HO2N", 1 }, { "H1D", 1 }, { "H2N", 1 }, { "H71N", 1 }, { "H72N", 1 }, { "H41N", 1 }, { "H42N", 1 }, { "H5N", 1 }, { "H6N", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "P2B" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "O3", "PN" }, { "PN", "O2N" }, { "PN", "O5D" }, { "O2N", "H21N" }, { "O5D", "C5D" }, { "C5D", "C4D" }, { "C5D", "H51N" }, { "C5D", "H52N" }, { "C4D", "O4D" }, { "C4D", "C3D" }, { "C4D", "H4D" }, { "O4D", "C1D" }, { "C3D", "O3D" }, { "C3D", "C2D" }, { "C3D", "H3D" }, { "O3D", "HO3N" }, { "C2D", "O2D" }, { "C2D", "C1D" }, { "C2D", "H2D" }, { "O2D", "HO2N" }, { "C1D", "N1N" }, { "C1D", "H1D" }, { "N1N", "C2N" }, { "N1N", "C6N" }, { "C2N", "H2N" }, { "C3N", "C7N" }, { "C3N", "C4N" }, { "C7N", "N7N" }, { "N7N", "H71N" }, { "N7N", "H72N" }, { "C4N", "C5N" }, { "C4N", "H41N" }, { "C4N", "H42N" }, { "C5N", "H5N" }, { "C6N", "H6N" }, { "P2B", "O2X" }, { "P2B", "O3X" }, { "O2X", "HOP2" }, { "O3X", "HOP3" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "PN", "O1N" }, { "C2N", "C3N" }, { "C7N", "O7N" }, { "C5N", "C6N" }, { "P2B", "O1X" } }); ResidueData AMPData( "AMP", // Atoms { { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP2", 1 }, { "HOP3", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "P", "O2P" }, { "P", "O3P" }, { "P", "O5'" }, { "O2P", "HOP2" }, { "O3P", "HOP3" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "O1P" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData NO3Data("NO3", // Atoms { { "N", 7 }, { "O1", 8 }, { "O2", 8 }, { "O2", 8 } }, // Single Bonds { { "N", "O2" }, { "N", "O3" } }, // Double Bonds { { "N", "O1" } }); ResidueData PTRData( "PTR", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "CE1", 6 }, { "CE2", 6 }, { "CZ", 6 }, { "OH", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HXT", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HO2P", 1 }, { "HO2P", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "OXT", "HXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "CE1" }, { "CD1", "HD1" }, { "CD2", "HD2" }, { "CE1", "HE1" }, { "CE2", "CZ" }, { "CE2", "HE2" }, { "CZ", "OH" }, { "OH", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HO2P" }, { "O3P", "HO3P" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE1", "CZ" }, { "P", "O1P" } }); ResidueData IPAData("IPA", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "O2", 8 }, { "H11", 1 }, { "H12", 1 }, { "H13", 1 }, { "H2", 1 }, { "H31", 1 }, { "H32", 1 }, { "H33", 1 }, { "H33", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C1", "H13" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "H31" }, { "C3", "H32" }, { "C3", "H33" }, { "O2", "HO2" } }, // Double Bonds {}); ResidueData COAData( "COA", // Atoms { { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N7A", 7 }, { "C8A", 6 }, { "N9A", 7 }, { "C1B", 6 }, { "C2B", 6 }, { "O2B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "P3B", 15 }, { "O7A", 8 }, { "O8A", 8 }, { "O9A", 8 }, { "C4B", 6 }, { "O4B", 8 }, { "C5B", 6 }, { "O5B", 8 }, { "P1A", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "P2A", 15 }, { "O4A", 8 }, { "O5A", 8 }, { "O6A", 8 }, { "CBP", 6 }, { "CCP", 6 }, { "CDP", 6 }, { "CEP", 6 }, { "CAP", 6 }, { "OAP", 8 }, { "C9P", 6 }, { "O9P", 8 }, { "N8P", 7 }, { "C7P", 6 }, { "C6P", 6 }, { "C5P", 6 }, { "O5P", 8 }, { "N4P", 7 }, { "C3P", 6 }, { "C2P", 6 }, { "S1P", 16 }, { "H2A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H8A", 1 }, { "H1B", 1 }, { "H2B", 1 }, { "HO2A", 1 }, { "H3B", 1 }, { "HOA8", 1 }, { "HOA9", 1 }, { "H4B", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "HOA2", 1 }, { "HOA5", 1 }, { "H121", 1 }, { "H122", 1 }, { "H131", 1 }, { "H132", 1 }, { "H133", 1 }, { "H141", 1 }, { "H142", 1 }, { "H143", 1 }, { "H10", 1 }, { "HO1", 1 }, { "HN8", 1 }, { "H71", 1 }, { "H72", 1 }, { "H61", 1 }, { "H62", 1 }, { "HN4", 1 }, { "H31", 1 }, { "H32", 1 }, { "H21", 1 }, { "H22", 1 }, { "H22", 1 } }, // Single Bonds { { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "C4A", "N9A" }, { "C5A", "C6A" }, { "C5A", "N7A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "C8A", "N9A" }, { "C8A", "H8A" }, { "N9A", "C1B" }, { "C1B", "C2B" }, { "C1B", "O4B" }, { "C1B", "H1B" }, { "C2B", "O2B" }, { "C2B", "C3B" }, { "C2B", "H2B" }, { "O2B", "HO2A" }, { "C3B", "O3B" }, { "C3B", "C4B" }, { "C3B", "H3B" }, { "O3B", "P3B" }, { "P3B", "O8A" }, { "P3B", "O9A" }, { "O8A", "HOA8" }, { "O9A", "HOA9" }, { "C4B", "O4B" }, { "C4B", "C5B" }, { "C4B", "H4B" }, { "C5B", "O5B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "O5B", "P1A" }, { "P1A", "O2A" }, { "P1A", "O3A" }, { "O2A", "HOA2" }, { "O3A", "P2A" }, { "P2A", "O5A" }, { "P2A", "O6A" }, { "O5A", "HOA5" }, { "O6A", "CCP" }, { "CBP", "CCP" }, { "CBP", "CDP" }, { "CBP", "CEP" }, { "CBP", "CAP" }, { "CCP", "H121" }, { "CCP", "H122" }, { "CDP", "H131" }, { "CDP", "H132" }, { "CDP", "H133" }, { "CEP", "H141" }, { "CEP", "H142" }, { "CEP", "H143" }, { "CAP", "OAP" }, { "CAP", "C9P" }, { "CAP", "H10" }, { "OAP", "HO1" }, { "C9P", "N8P" }, { "N8P", "C7P" }, { "N8P", "HN8" }, { "C7P", "C6P" }, { "C7P", "H71" }, { "C7P", "H72" }, { "C6P", "C5P" }, { "C6P", "H61" }, { "C6P", "H62" }, { "C5P", "N4P" }, { "N4P", "C3P" }, { "N4P", "HN4" }, { "C3P", "C2P" }, { "C3P", "H31" }, { "C3P", "H32" }, { "C2P", "S1P" }, { "C2P", "H21" }, { "C2P", "H22" }, { "S1P", "HS1" } }, // Double Bonds { { "N1A", "C6A" }, { "C2A", "N3A" }, { "C4A", "C5A" }, { "N7A", "C8A" }, { "P3B", "O7A" }, { "P1A", "O1A" }, { "P2A", "O4A" }, { "C9P", "O9P" }, { "C5P", "O5P" } }); ResidueData KCXData( "KCX", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "CE", 6 }, { "NZ", 7 }, { "C", 6 }, { "O", 8 }, { "CX", 6 }, { "OXT", 8 }, { "OQ1", 8 }, { "OQ2", 8 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "HZ", 1 }, { "HXT", 1 }, { "HXT", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "CE" }, { "CD", "HD2" }, { "CD", "HD3" }, { "CE", "NZ" }, { "CE", "HE2" }, { "CE", "HE3" }, { "NZ", "CX" }, { "NZ", "HZ" }, { "C", "OXT" }, { "CX", "OQ2" }, { "OXT", "HXT" }, { "OQ2", "HQ2" } }, // Double Bonds { { "C", "O" }, { "CX", "OQ1" } }); ResidueData H4BData( "H4B", // Atoms { { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C4A", 6 }, { "C8A", 6 }, { "N5", 7 }, { "N8", 7 }, { "C6", 6 }, { "C7", 6 }, { "C9", 6 }, { "O9", 8 }, { "C10", 6 }, { "C11", 6 }, { "O10", 8 }, { "HN21", 1 }, { "HN22", 1 }, { "HN3", 1 }, { "HN5", 1 }, { "HN8", 1 }, { "H6", 1 }, { "H71", 1 }, { "H72", 1 }, { "H9", 1 }, { "HO9", 1 }, { "H10", 1 }, { "H111", 1 }, { "H112", 1 }, { "H113", 1 }, { "H113", 1 } }, // Single Bonds { { "N1", "C8A" }, { "C2", "N2" }, { "C2", "N3" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "C4A" }, { "C4A", "N5" }, { "C8A", "N8" }, { "N5", "C6" }, { "N5", "HN5" }, { "N8", "C7" }, { "N8", "HN8" }, { "C6", "C7" }, { "C6", "C9" }, { "C6", "H6" }, { "C7", "H71" }, { "C7", "H72" }, { "C9", "O9" }, { "C9", "C10" }, { "C9", "H9" }, { "O9", "HO9" }, { "C10", "C11" }, { "C10", "O10" }, { "C10", "H10" }, { "C11", "H111" }, { "C11", "H112" }, { "C11", "H113" }, { "O10", "HO0" } }, // Double Bonds { { "N1", "C2" }, { "C4", "O4" }, { "C4A", "C8A" } }); ResidueData SAMData( "SAM", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CB", 6 }, { "CG", 6 }, { "SD", 16 }, { "CE", 6 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HN1", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "HN1" }, { "N", "HN2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CG", "SD" }, { "CG", "HG1" }, { "CG", "HG2" }, { "SD", "CE" }, { "SD", "C5'" }, { "CE", "HE1" }, { "CE", "HE2" }, { "CE", "HE3" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "C", "O" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData GNPData( "GNP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "N3B", 7 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3A", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HNB3", 1 }, { "HOB2", 1 }, { "HOA2", 1 }, { "H5'2", 1 }, { "H5'1", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN1", 1 }, { "HN21", 1 }, { "HN21", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "N3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "N3B", "PB" }, { "N3B", "HNB3" }, { "PB", "O2B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3A", "PA" }, { "PA", "O2A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'2" }, { "C5'", "H5'1" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "HN1" }, { "C2", "N2" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData FLCData("FLC", // Atoms { { "CAC", 6 }, { "CA", 6 }, { "CB", 6 }, { "CBC", 6 }, { "CG", 6 }, { "CGC", 6 }, { "OA1", 8 }, { "OA2", 8 }, { "OB1", 8 }, { "OB2", 8 }, { "OG1", 8 }, { "OG2", 8 }, { "OHB", 8 }, { "HA1", 1 }, { "HA2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HG2", 1 } }, // Single Bonds { { "CAC", "CA" }, { "CAC", "OA2" }, { "CA", "CB" }, { "CA", "HA1" }, { "CA", "HA2" }, { "CB", "CBC" }, { "CB", "CG" }, { "CB", "OHB" }, { "CBC", "OB2" }, { "CG", "CGC" }, { "CG", "HG1" }, { "CG", "HG2" }, { "CGC", "OG2" }, { "OHB", "HOB" } }, // Double Bonds { { "CAC", "OA1" }, { "CBC", "OB1" }, { "CGC", "OG1" } }); std::map residueDict = { { "ALA", ALAData }, { "CYS", CYSData }, { "ASP", ASPData }, { "GLU", GLUData }, { "PHE", PHEData }, { "GLY", GLYData }, { "HIS", HISData }, { "ILE", ILEData }, { "LYS", LYSData }, { "LEU", LEUData }, { "MET", METData }, { "ASN", ASNData }, { "PRO", PROData }, { "GLN", GLNData }, { "ARG", ARGData }, { "SER", SERData }, { "THR", THRData }, { "VAL", VALData }, { "TRP", TRPData }, { "TYR", TYRData }, { "DA", DAData }, { "DC", DCData }, { "DG", DGData }, { "DT", DTData }, { "DI", DIData }, { "A", AData }, { "C", CData }, { "G", GData }, { "U", UData }, { "I", IData }, { "HEM", HEMData }, { "HOH", HOHData }, { "SO4", SO4Data }, { "GOL", GOLData }, { "EDO", EDOData }, { "MSE", MSEData }, { "NAG", NAGData }, { "PO4", PO4Data }, { "ACT", ACTData }, { "PEG", PEGData }, { "BMA", BMAData }, { "MAN", MANData }, { "DMS", DMSData }, { "ADP", ADPData }, { "FAD", FADData }, { "ACE", ACEData }, { "MPD", MPDData }, { "GLC", GLCData }, { "ATP", ATPData }, { "MES", MESData }, { "TRS", TRSData }, { "PG4", PG4Data }, { "PGE", PGEData }, { "NAD", NADData }, { "FUC", FUCData }, { "NH2", NH2Data }, { "FMT", FMTData }, { "NAP", NAPData }, { "SEP", SEPData }, { "GDP", GDPData }, { "GAL", GALData }, { "SF4", SF4Data }, { "BGC", BGCData }, { "FMN", FMNData }, { "UNK", UNKData }, { "CIT", CITData }, { "EPE", EPEData }, { "TPO", TPOData }, { "PLP", PLPData }, { "GTP", GTPData }, { "SAH", SAHData }, { "BME", BMEData }, { "ACY", ACYData }, { "ANP", ANPData }, { "IMD", IMDData }, { "PCA", PCAData }, { "CSO", CSOData }, { "MLI", MLIData }, { "FES", FESData }, { "NDP", NDPData }, { "AMP", AMPData }, { "NO3", NO3Data }, { "PTR", PTRData }, { "IPA", IPAData }, { "COA", COAData }, { "KCX", KCXData }, { "H4B", H4BData }, { "SAM", SAMData }, { "GNP", GNPData }, { "FLC", FLCData }, }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/ringperceiver.cpp000066400000000000000000000325341516317240700256030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ringperceiver.h" #include "molecule.h" #include #include #include #include #include #include namespace Avogadro::Core { namespace { // === DistanceMatrix ====================================================== // class DistanceMatrix { public: // swap function marked friend so it can only be found via Argument Dependent // Lookup (ADL) friend void swap(DistanceMatrix& first, DistanceMatrix& second) { // Enable ADL for the swap using std::swap; swap(first.m_size, second.m_size); swap(first.m_values, second.m_values); } // construction and destruction DistanceMatrix(size_t size); ~DistanceMatrix(); DistanceMatrix(const DistanceMatrix& other); // intentional pass-by-value to leverage previous copy ctor DistanceMatrix& operator=(DistanceMatrix other); // operators size_t operator()(size_t i, size_t j) const; size_t& operator()(size_t i, size_t j); private: size_t m_size; size_t* m_values; }; DistanceMatrix::DistanceMatrix(size_t size) : m_size(size), m_values(new size_t[size * size]) { memset(m_values, 0, size * size * sizeof(size_t)); } [[maybe_unused]] DistanceMatrix::DistanceMatrix(const DistanceMatrix& other) : m_size(other.m_size), m_values(other.m_size ? new size_t[other.m_size * other.m_size] : nullptr) { if (m_values) std::copy(other.m_values, other.m_values + (other.m_size * other.m_size), m_values); } [[maybe_unused]] DistanceMatrix& DistanceMatrix::operator=(DistanceMatrix other) { // will use friend swap function via Argument Dependent Lookup swap(*this, other); return *this; } DistanceMatrix::~DistanceMatrix() { delete[] m_values; } size_t& DistanceMatrix::operator()(size_t i, size_t j) { return m_values[i * m_size + j]; } // === PidMatrix =========================================================== // // The PidMatrix class implements a path-included distance matrix. class PidMatrix { public: // construction and destruction PidMatrix(size_t size); ~PidMatrix(); // paths std::vector>& paths(size_t i, size_t j); void addPaths(size_t i, size_t j, const std::vector>& paths); std::vector> splice(size_t i, size_t j, size_t k); // operators std::vector>& operator()(size_t i, size_t j); private: size_t m_size; std::vector>* m_values; }; // --- Construction and Destruction ---------------------------------------- // PidMatrix::PidMatrix(size_t size) : m_size(size), m_values(new std::vector>[size * size]) { } PidMatrix::~PidMatrix() { delete[] m_values; } // --- Paths --------------------------------------------------------------- // std::vector>& PidMatrix::paths(size_t i, size_t j) { return m_values[i * m_size + j]; } void PidMatrix::addPaths(size_t i, size_t j, const std::vector>& p) { std::vector>& current = m_values[i * m_size + j]; current.insert(current.end(), p.begin(), p.end()); } std::vector>& PidMatrix::operator()(size_t i, size_t j) { return paths(i, j); } std::vector> PidMatrix::splice(size_t i, size_t j, size_t k) { std::vector> splicedPaths; std::vector> ijPaths = paths(i, j); std::vector> jkPaths = paths(j, k); if (ijPaths.empty() && jkPaths.empty()) { std::vector path; path.push_back(j); splicedPaths.push_back(path); } else if (ijPaths.empty()) { for (auto& jkPath : jkPaths) { std::vector path; path.push_back(j); path.insert(path.end(), jkPath.begin(), jkPath.end()); splicedPaths.push_back(path); } } else if (jkPaths.empty()) { for (auto path : ijPaths) { path.push_back(j); splicedPaths.push_back(path); } } else { for (auto path : ijPaths) { for (auto& jkPath : jkPaths) { path.push_back(j); path.insert(path.end(), jkPath.begin(), jkPath.end()); splicedPaths.push_back(path); } } } return splicedPaths; } // === RingCandidate ======================================================= // class RingCandidate { public: // construction and destruction RingCandidate(size_t n, size_t s, size_t e); // properties size_t size() const; size_t start() const; size_t end() const; // static methods static bool compareSize(const RingCandidate& a, const RingCandidate& b); private: size_t m_size; size_t m_start; size_t m_end; }; // --- Construction and Destruction ---------------------------------------- // RingCandidate::RingCandidate(size_t n, size_t s, size_t e) : m_size(n), m_start(s), m_end(e) { } // --- Properties ---------------------------------------------------------- // size_t RingCandidate::size() const { return m_size; } size_t RingCandidate::start() const { return m_start; } size_t RingCandidate::end() const { return m_end; } // --- Static Methods ------------------------------------------------------ // bool RingCandidate::compareSize(const RingCandidate& a, const RingCandidate& b) { return a.size() < b.size(); } // === Sssr ================================================================ // class Sssr { public: // construction and destruction Sssr() = default; ~Sssr() = default; // properties size_t size() const; bool isEmpty() const; // rings const std::vector>& rings() const; void append(const std::vector& ring); bool isValid(const std::vector& ring) const; bool isUnique(const std::vector& ring) const; private: std::vector> m_rings; }; // --- Properties ---------------------------------------------------------- // size_t Sssr::size() const { return m_rings.size(); } bool Sssr::isEmpty() const { return m_rings.empty(); } // --- Rings --------------------------------------------------------------- // const std::vector>& Sssr::rings() const { return m_rings; } void Sssr::append(const std::vector& ring) { m_rings.push_back(ring); } bool Sssr::isValid(const std::vector& ring) const { // Check for any duplicate atoms. for (size_t i = 0; i < ring.size(); ++i) for (size_t j = i + 1; j < ring.size(); ++j) if (ring[i] == ring[j]) return false; return true; } bool Sssr::isUnique(const std::vector& path) const { // Must be unique if sssr is empty. if (isEmpty()) return true; // Check if a ring with the same atoms is already in the sssr. std::set pathSet; pathSet.insert(path.begin(), path.end()); for (const auto& ring : m_rings) { std::set ringSet; ringSet.insert(ring.begin(), ring.end()); std::vector sortedRing(ring.begin(), ring.end()); std::sort(sortedRing.begin(), sortedRing.end()); std::set intersection; std::set_intersection(pathSet.begin(), pathSet.end(), ringSet.begin(), ringSet.end(), std::inserter(intersection, intersection.begin())); if (intersection.size() == ring.size()) return false; } // Build the set of bonds in the path. std::set> pathBonds; for (size_t i = 0; i < path.size() - 1; i++) { pathBonds.insert(std::make_pair(std::min(path[i], path[i + 1]), std::max(path[i], path[i + 1]))); } pathBonds.insert(std::make_pair(std::min(path.front(), path.back()), std::max(path.front(), path.back()))); // Remove bonds from path bonds that are already in a smaller ring. for (const auto& ring : m_rings) { if (ring.size() >= path.size()) continue; for (size_t i = 0; i < ring.size(); i++) { pathBonds.erase(std::make_pair(std::min(ring[i], ring[i + 1]), std::max(ring[i], ring[i + 1]))); } pathBonds.erase(std::make_pair(std::min(ring.front(), ring.back()), std::max(ring.front(), ring.back()))); } // Check if any other ring contains the same bonds. for (const auto& ring : m_rings) { std::set> ringBonds; // Add ring bonds. for (size_t i = 0; i < ring.size() - 1; i++) { ringBonds.insert(std::make_pair(std::min(ring[i], ring[i + 1]), std::max(ring[i], ring[i + 1]))); } // Add closure bond. ringBonds.insert(std::make_pair(std::min(ring.front(), ring.back()), std::max(ring.front(), ring.back()))); // Check intersection. std::set> intersection; std::set_intersection(pathBonds.begin(), pathBonds.end(), ringBonds.begin(), ringBonds.end(), std::inserter(intersection, intersection.begin())); if (intersection.size() == pathBonds.size()) return false; } return true; } std::vector> perceiveRings(const Graph& graph) { size_t n = graph.size(); if (graph.edgeCount() < graph.vertexCount()) return std::vector>(); size_t ringCount = graph.edgeCount() - graph.vertexCount() + 1; if (ringCount == 0) return std::vector>(); // Algorithm 1 - create the distance and pid matrices. DistanceMatrix D(n); PidMatrix P(n); PidMatrix Pt(n); for (size_t i = 0; i < n; ++i) { for (size_t j = 0; j < n; ++j) { if (i == j) D(i, j) = 0; else if (graph.containsEdge(i, j)) D(i, j) = 1; else D(i, j) = std::numeric_limits::max() / 2; // ~ infinity } } for (size_t k = 0; k < n; ++k) { for (size_t i = 0; i < n; ++i) { for (size_t j = 0; j < n; ++j) { if (i == j || i == k || k == j) continue; if (D(i, j) > D(i, k) + D(k, j)) { if (D(i, j) == D(i, k) + D(k, j) + 1) Pt(i, j) = P(i, j); else Pt(i, j).clear(); D(i, j) = D(i, k) + D(k, j); P(i, j) = P.splice(i, k, j); } else if (D(i, j) == D(i, k) + D(k, j)) { P.addPaths(i, j, P.splice(i, k, j)); } else if (D(i, j) == D(i, k) + D(k, j) - 1) { Pt.addPaths(i, j, P.splice(i, k, j)); } } } } // Algorithm 2 - create the ring candidate set. std::vector candidates; for (size_t i = 0; i < n; i++) { for (size_t j = i + 1; j < n; j++) { if (P(i, j).size() == 1 && Pt(i, j).size() == 0) { continue; } else { size_t size; if (P(i, j).size() > 1) size = 2 * D(i, j); else size = 2 * D(i, j) + 1; if (size > 2) candidates.emplace_back(size, i, j); } } } // Sort the candidates. std::sort(candidates.begin(), candidates.end(), RingCandidate::compareSize); // Algorithm 3 - find sssr from the ring candidate set. Sssr sssr; for (auto& candidate : candidates) { // odd sized ring if (candidate.size() & 1) { for (size_t i = 0; i < Pt(candidate.start(), candidate.end()).size(); ++i) { std::vector ring; ring.push_back(candidate.start()); std::vector& path = Pt(candidate.start(), candidate.end())[i]; ring.insert(ring.end(), path.begin(), path.end()); ring.push_back(candidate.end()); if (!P(candidate.end(), candidate.start()).empty()) { path = P(candidate.end(), candidate.start())[0]; ring.insert(ring.end(), path.begin(), path.end()); } // Check if ring is valid and unique. if (sssr.isValid(ring) && sssr.isUnique(ring)) { sssr.append(ring); break; } } } // Even sized ring. else { for (size_t i = 0; i < P(candidate.start(), candidate.end()).size() - 1; ++i) { std::vector ring; ring.push_back(candidate.start()); std::vector& path = P(candidate.start(), candidate.end())[i]; ring.insert(ring.end(), path.begin(), path.end()); ring.push_back(candidate.end()); path = P(candidate.end(), candidate.start())[i + 1]; ring.insert(ring.end(), path.begin(), path.end()); // check if ring is valid and unique if (sssr.isValid(ring) && sssr.isUnique(ring)) { sssr.append(ring); break; } } } if (sssr.size() == ringCount) break; } return sssr.rings(); } } // end anonymous namespace RingPerceiver::RingPerceiver(const Molecule* m) : m_ringsPerceived(false), m_molecule(m) { } void RingPerceiver::setMolecule(const Molecule* m) { m_molecule = m; m_ringsPerceived = false; } const Molecule* RingPerceiver::molecule() const { return m_molecule; } std::vector>& RingPerceiver::rings() { if (!m_ringsPerceived) { if (m_molecule) m_rings = perceiveRings(m_molecule->graph()); else m_rings.clear(); m_ringsPerceived = true; } return m_rings; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/ringperceiver.h000066400000000000000000000017461516317240700252510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_RINGPERCEIVER_H #define AVOGADRO_CORE_RINGPERCEIVER_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { class Molecule; class AVOGADROCORE_EXPORT RingPerceiver { public: // construction and destruction explicit RingPerceiver(const Molecule* m = nullptr); ~RingPerceiver() = default; // properties void setMolecule(const Molecule* m); const Molecule* molecule() const; // ring perception std::vector>& rings(); private: bool m_ringsPerceived; const Molecule* m_molecule; std::vector> m_rings; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_RINGPERCEIVER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/secondarystructure.cpp000066400000000000000000000235251516317240700267070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "secondarystructure.h" #include #include #include #include namespace Avogadro::Core { SecondaryStructureAssigner::SecondaryStructureAssigner(Molecule* mol) : m_molecule(mol) { } SecondaryStructureAssigner::~SecondaryStructureAssigner() { for (auto* hBond : m_hBonds) delete hBond; m_hBonds.clear(); } //! Adapted from 3DMol.js parsers.js //! https://github.com/3dmol/3Dmol.js/blob/master/3Dmol/parsers.js void SecondaryStructureAssigner::assign(Molecule* mol) { m_molecule = mol; // Clear the current secondary structure auto residueCount = m_molecule->residues().size(); for (auto residue : m_molecule->residues()) residue.setSecondaryStructure(Residue::SecondaryStructure::undefined); // First assign the hydrogen bonds along the backbone assignBackboneHydrogenBonds(); float infinity = std::numeric_limits::max(); // Then assign the alpha helix by going through the hBond records for (auto* hBond : m_hBonds) { if (hBond->distSquared < infinity) { // check to see how far apart the residues are int separation = std::abs(int(hBond->residue - hBond->residuePair)); switch (separation) { case 3: { // 3-10 m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::helix310); break; } case 4: { // alpha m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::alphaHelix); break; } case 5: { // pi m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::piHelix); break; } default: { break; } } } } // If there are less than 3 residues, don't do anything if (residueCount < 3) return; // Plug gaps in the helix for (size_t i = 1; i < residueCount - 1; ++i) { // check that before and after this residue are in the same chain if (m_molecule->residue(i).chainId() != m_molecule->residue(i - 1).chainId() || m_molecule->residue(i).chainId() != m_molecule->residue(i + 1).chainId()) continue; auto current = m_molecule->residue(i).secondaryStructure(); auto previous = m_molecule->residue(i - 1).secondaryStructure(); auto next = m_molecule->residue(i + 1).secondaryStructure(); // is there a gap in a helix (before and after are helix, so this should be) if (previous != Residue::SecondaryStructure::undefined && previous == next && current != previous) m_molecule->residue(i).setSecondaryStructure(previous); } // Then assign the beta sheet - but only if a residue isn't assigned for (auto* hBond : m_hBonds) { if (hBond->distSquared < infinity) { if (m_molecule->residue(hBond->residue).secondaryStructure() == Residue::SecondaryStructure::undefined) m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::maybeBeta); } } // Check that sheets bond to other sheets for (auto* hBond : m_hBonds) { if (hBond->distSquared < infinity) { // find the match auto current = m_molecule->residue(hBond->residue); auto match = m_molecule->residue(hBond->residuePair); // if we're "maybe" beta see if the match is either beta or "maybe" if (current.secondaryStructure() == Residue::SecondaryStructure::maybeBeta && (match.secondaryStructure() == Residue::SecondaryStructure::maybeBeta || match.secondaryStructure() == Residue::SecondaryStructure::betaSheet)) { // we can be sure now m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::betaSheet); m_molecule->residue(hBond->residuePair) .setSecondaryStructure(Residue::SecondaryStructure::betaSheet); } } } // Plug gaps in the beta sheet for (size_t i = 1; i < residueCount - 1; ++i) { // check that before and after this residue are in the same chain if (m_molecule->residue(i).chainId() != m_molecule->residue(i - 1).chainId() || m_molecule->residue(i).chainId() != m_molecule->residue(i + 1).chainId()) continue; auto current = m_molecule->residue(i).secondaryStructure(); auto previous = m_molecule->residue(i - 1).secondaryStructure(); auto next = m_molecule->residue(i + 1).secondaryStructure(); // is there a gap in a beta sheet? if (previous == Residue::SecondaryStructure::betaSheet && previous == next && current != previous) m_molecule->residue(i).setSecondaryStructure(previous); } // remove singletons for (size_t i = 1; i < residueCount - 1; ++i) { // check that before and after this residue are in the same chain if (m_molecule->residue(i).chainId() != m_molecule->residue(i - 1).chainId() || m_molecule->residue(i).chainId() != m_molecule->residue(i + 1).chainId()) continue; auto current = m_molecule->residue(i); // clear maybeBeta assignments (e.g. short bits) if (current.secondaryStructure() == Residue::SecondaryStructure::maybeBeta) m_molecule->residue(i).setSecondaryStructure( Residue::SecondaryStructure::undefined); if (current.secondaryStructure() != Residue::SecondaryStructure::undefined) { // make sure we don't have one lone odd assignment if (current.secondaryStructure() != m_molecule->residue(i - 1).secondaryStructure() && current.secondaryStructure() != m_molecule->residue(i + 1).secondaryStructure()) { m_molecule->residue(i).setSecondaryStructure( Residue::SecondaryStructure::undefined); } } } // end loop over residues (for singletons) } //! Adapted from 3DMol.js parsers.js assignBackboneHBond //! https://github.com/3dmol/3Dmol.js/blob/master/3Dmol/parsers.js void SecondaryStructureAssigner::assignBackboneHydrogenBonds() { if (m_molecule == nullptr) return; const float maxDist = 3.2; // in Angstroms const float maxDistSq = maxDist * maxDist; // 10.24 // delete any previous records for (auto* hBond : m_hBonds) delete hBond; m_hBonds.clear(); // Loop over the backbone atoms // we're just considering N and O (on a peptide) unsigned int idx = 0; // track the residue index for (const auto& residue : m_molecule->residues()) { unsigned int residueId = idx++; if (residue.isHeterogen()) continue; auto oxygen = residue.atomByName("O"); if (oxygen.isValid()) { auto* oRecord = new hBondRecord(); oRecord->atom = oxygen.index(); oRecord->atomZ = oxygen.position3d()[2]; oRecord->distSquared = std::numeric_limits::max(); oRecord->residue = residueId; oRecord->residuePair = residueId; // just a placeholder m_hBonds.push_back(oRecord); } auto nitrogen = residue.atomByName("N"); if (nitrogen.isValid()) { auto* nRecord = new hBondRecord(); nRecord->atom = nitrogen.index(); nRecord->atomZ = nitrogen.position3d()[2]; nRecord->distSquared = std::numeric_limits::max(); nRecord->residue = residueId; nRecord->residuePair = residueId; m_hBonds.push_back(nRecord); } } if (m_hBonds.size() == 0) return; // sort by z-coordinate std::sort(m_hBonds.begin(), m_hBonds.end(), // lambda for sorting by z-coordinate [2] [](const hBondRecord* a, const hBondRecord* b) { return a->atomZ < b->atomZ; }); // now loop through the sorted list (so we can exit quickly) int n = m_hBonds.size(); for (int i = 0; i < n; ++i) { auto* recordI = m_hBonds[i]; const Residue& residueI = m_molecule->residue(recordI->residue); for (int j = i + 1; j < n; ++j) { auto* recordJ = m_hBonds[j]; const Residue& residueJ = m_molecule->residue(recordJ->residue); // skip if we're not on the same chain if (residueI.chainId() != residueJ.chainId()) continue; if (residueI.chainId() == residueJ.chainId() && std::abs(int(residueI.residueId() - residueJ.residueId())) < 3) continue; // either the same or too close to each other // compute the distance between the two atoms float zDiff = fabs(m_molecule->atomPosition3d(recordJ->atom)[2] - m_molecule->atomPosition3d(recordI->atom)[2]); if (zDiff > maxDist) // everything else is too far away break; // x and y, we just skip this atom float yDiff = fabs(m_molecule->atomPosition3d(recordJ->atom)[1] - m_molecule->atomPosition3d(recordI->atom)[1]); if (yDiff > maxDist) continue; float xDiff = fabs(m_molecule->atomPosition3d(recordJ->atom)[0] - m_molecule->atomPosition3d(recordI->atom)[0]); if (xDiff > maxDist) continue; // compute the squared distance between the two atoms float distSq = xDiff * xDiff + yDiff * yDiff + zDiff * zDiff; if (distSq > maxDistSq) continue; // if we get here, we have a potential hydrogen bond // select the one with the shortest distance if (distSq < recordI->distSquared) { recordI->distSquared = distSq; recordI->residuePair = recordJ->residue; } if (distSq < recordJ->distSquared) { recordJ->distSquared = distSq; recordJ->residuePair = recordI->residue; } } // end for(j) } // end for(i) } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/secondarystructure.h000066400000000000000000000023361516317240700263510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SECONDARYSTRUCTURE_H #define AVOGADRO_CORE_SECONDARYSTRUCTURE_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { class Molecule; //! \internal struct hBondRecord { //! The atom index we're examining Index atom; //! The z-coordinate of the atom float atomZ; //! The residue containing the atom Index residue; //! The residue we're paired through an hbond Index residuePair; //! The length (squared) of the hydrogen bond float distSquared; }; class AVOGADROCORE_EXPORT SecondaryStructureAssigner { public: // construction and destruction explicit SecondaryStructureAssigner(Molecule* m = nullptr); ~SecondaryStructureAssigner(); void assign(Molecule* mol); private: void assignBackboneHydrogenBonds(); Molecule* m_molecule; std::vector m_hBonds; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ANGLEITERATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/sharedmutex.cpp000066400000000000000000000017271516317240700252700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sharedmutex.h" #include namespace Avogadro::Core { using std::shared_mutex; class SharedMutex::PIMPL { public: PIMPL() {} shared_mutex lock; }; SharedMutex::SharedMutex() : d(new PIMPL) {} SharedMutex::~SharedMutex() { delete d; } void SharedMutex::lockForRead() { d->lock.lock_shared(); } bool SharedMutex::tryLockForRead() { return d->lock.try_lock_shared(); } void SharedMutex::unlockForRead() { d->lock.unlock_shared(); } void SharedMutex::lockForWrite() { d->lock.lock(); } bool SharedMutex::tryLockForWrite() { return d->lock.try_lock(); } void SharedMutex::unlockForWrite() { d->lock.unlock(); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/sharedmutex.h000066400000000000000000000027761516317240700247420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SHAREDMUTEX_H #define AVOGADRO_CORE_SHAREDMUTEX_H #include "avogadrocoreexport.h" namespace Avogadro::Core { /** * @class SharedMutex sharedmutex.h * @brief The SharedMutex class provides a simple wrapper for the C++17 * shared_mutex class * @author Marcus D. Hanwell * * A very simple, and thin wrapper around the C++17 shared_mutex class, allowing * for lock, tryLock and unlock. */ class AVOGADROCORE_EXPORT SharedMutex { public: SharedMutex(); ~SharedMutex(); /** * @brief Obtain a shared read lock. */ void lockForRead(); /** * @brief Attempt to obtain a shared read lock. * @return True on success, false on failure. */ bool tryLockForRead(); /** * @brief Unlocks the exclusive write lock. */ void unlockForRead(); /** * @brief Obtain an exclusive write lock. */ void lockForWrite(); /** * @brief Attempt to obtain an exclusive write lock. * @return True on success, false on failure. */ bool tryLockForWrite(); /** * @brief Unlocks the exclusive write lock. */ void unlockForWrite(); private: class PIMPL; PIMPL* d; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SHAREDMUTEX_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/slaterset.cpp000066400000000000000000000076471516317240700247540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "slaterset.h" #include #include #include namespace Avogadro::Core { bool SlaterSet::addSlaterIndices(const std::vector& i) { m_slaterIndices = i; return true; } bool SlaterSet::addSlaterTypes(const std::vector& t) { m_initialized = false; m_slaterTypes = t; return true; } bool SlaterSet::addZetas(const std::vector& z) { m_initialized = false; m_zetas = z; return true; } bool SlaterSet::addPQNs(const std::vector& pqns) { m_initialized = false; m_pqns = pqns; return true; } bool SlaterSet::addOverlapMatrix(const Eigen::MatrixXd& m) { m_initialized = false; m_overlap.resize(m.rows(), m.cols()); m_overlap = m; return true; } bool SlaterSet::addEigenVectors(const Eigen::MatrixXd& e) { m_eigenVectors.resize(e.rows(), e.cols()); m_eigenVectors = e; return true; } bool SlaterSet::addDensityMatrix(const Eigen::MatrixXd& d) { m_density.resize(d.rows(), d.cols()); m_density = d; return true; } unsigned int SlaterSet::molecularOrbitalCount(ElectronType) const { return static_cast(m_overlap.cols()); } void SlaterSet::outputAll() {} void SlaterSet::initCalculation() { if (m_initialized) return; m_normalized.resize(m_overlap.cols(), m_overlap.rows()); Eigen::SelfAdjointEigenSolver s(m_overlap); const MatrixX& p = s.eigenvectors(); MatrixX m = p * s.eigenvalues().array().inverse().array().sqrt().matrix().asDiagonal() * p.inverse(); m_normalized = m * m_eigenVectors; if (!(m_overlap * m * m).eval().isIdentity()) std::cout << "Identity test FAILED - do you need a newer version of Eigen?\n"; m_factors.resize(m_zetas.size()); m_PQNs = m_pqns; // Calculate the normalizations of the orbitals. for (size_t i = 0; i < m_zetas.size(); ++i) { switch (m_slaterTypes[i]) { case S: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(1.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 1; break; case PX: case PY: case PZ: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(3.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 2; break; case X2: m_factors[i] = 0.5 * pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; case XZ: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; case Z2: m_factors[i] = (0.5 / sqrt(3.0)) * pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; case YZ: case XY: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; default: std::cout << "Orbital " << i << " not handled, type " << m_slaterTypes[i] << std::endl; } } // Convert the exponents into Angstroms for (double& m_zeta : m_zetas) m_zeta = m_zeta / BOHR_TO_ANGSTROM_D; m_initialized = true; } inline unsigned int SlaterSet::factorial(unsigned int n) { switch (n) { case 0: case 1: return 1; case 2: return 2; case 3: return 6; case 4: return 24; case 5: return 120; } return (n * factorial(n - 1)); } } // End namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/slaterset.h000066400000000000000000000102541516317240700244050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SLATERSET_H #define AVOGADRO_CORE_SLATERSET_H #include "basisset.h" #include #include #include namespace Avogadro::Core { /** * @class SlaterSet slaterset.h * @brief SlaterSet Class * @author Marcus D. Hanwell * * The SlaterSet class has a transparent data structure for storing the basis * sets output by many quantum mechanical codes. It has a certain hierarchy * where shells are built up from n primitives, in this case Slater Type * Orbitals (STOs). Each shell has a type (S, P, D, F, etc) and is composed of * one or more STOs. Each STO has a contraction coefficient, c, and an exponent, * a. * * When calculating Molecular Orbitals (MOs) each orthogonal shell has an * independent coefficient. That is the S type orbitals have one coefficient, * the P type orbitals have three coefficients (Px, Py and Pz), the D type * orbitals have five (or six if cartesian types) coefficients, and so on. */ struct SlaterShell; class AVOGADROCORE_EXPORT SlaterSet : public BasisSet { public: /** * Constructor. */ SlaterSet() = default; /** * Destructor. */ ~SlaterSet() override = default; /** * Clone. */ SlaterSet* clone() const override { return new SlaterSet(*this); } /** * Enumeration of the Slater orbital types. */ enum slater { S, PX, PY, PZ, X2, XZ, Z2, YZ, XY, UU }; /** * Add a basis to the basis set. * @param i Index of the atom to add the Basis too. * @return The index of the added Basis. */ bool addSlaterIndices(const std::vector& i); /** * Add the symmetry types for the orbitals. * @param t Vector containing the types of symmetry using the slater enum. */ bool addSlaterTypes(const std::vector& t); /** * Add a STO to the supplied basis. * @param zetas The exponents of the STOs * @return True if successful. */ bool addZetas(const std::vector& zetas); /** * The PQNs for the orbitals. */ bool addPQNs(const std::vector& pqns); /** * The overlap matrix. * @param m Matrix containing the overlap matrix for the basis. */ bool addOverlapMatrix(const Eigen::MatrixXd& m); /** * Add Eigen Vectors to the SlaterSet. * @param e Matrix of the eigen vectors for the SlaterSet. */ bool addEigenVectors(const Eigen::MatrixXd& e); /** * Add the density matrix to the SlaterSet. * @param d Density matrix for the SlaterSet. */ bool addDensityMatrix(const Eigen::MatrixXd& d); /** * @return The number of molecular orbitals in the BasisSet. */ unsigned int molecularOrbitalCount(ElectronType type = Paired) const override; /** * @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */ bool isValid() override { return true; } /** * Initialize the calculation, this must normally be done before anything. */ void initCalculation(); /** * Accessors for the various properties of the SlaterSet. */ std::vector& slaterIndices() { return m_slaterIndices; } std::vector& slaterTypes() { return m_slaterTypes; } std::vector& zetas() { return m_zetas; } std::vector& factors() { return m_factors; } std::vector& PQNs() { return m_PQNs; } MatrixX& normalizedMatrix() { return m_normalized; } MatrixX& densityMatrix() { return m_density; } // Nonfunctional - Included for backwards compatibility void outputAll(); private: std::vector m_slaterIndices; std::vector m_slaterTypes; std::vector m_zetas; std::vector m_pqns, m_PQNs; std::vector m_factors; MatrixX m_overlap; MatrixX m_eigenVectors; MatrixX m_density; MatrixX m_normalized; bool m_initialized = false; unsigned int factorial(unsigned int n); }; } // namespace Avogadro::Core #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/core/slatersettools.cpp000066400000000000000000000105461516317240700260250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "slatersettools.h" #include "molecule.h" #include "slaterset.h" namespace Avogadro::Core { SlaterSetTools::SlaterSetTools(Molecule* mol) : m_molecule(mol) { if (m_molecule) m_basis = dynamic_cast(m_molecule->basisSet()); } double SlaterSetTools::calculateMolecularOrbital(const Vector3& position, int mo) const { if (mo > static_cast(m_basis->molecularOrbitalCount())) return 0.0; std::vector values(calculateValues(position)); const MatrixX& matrix = m_basis->normalizedMatrix(); int matrixSize(static_cast(matrix.rows())); int indexMO(mo); // Now calculate the value of the density at this point in space double result(0.0); for (int i = 0; i < matrixSize; ++i) result += matrix(i, indexMO) * values[i]; return result; } double SlaterSetTools::calculateElectronDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->densityMatrix(); int matrixSize(static_cast(m_basis->normalizedMatrix().rows())); if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) return 0.0; std::vector values(calculateValues(position)); // Now calculate the value of the density at this point in space double rho(0.0); for (int i = 0; i < matrixSize; ++i) { // Calculate the off-diagonal parts of the matrix for (int j = 0; j < i; ++j) rho += 2.0 * matrix(i, j) * (values[i] * values[j]); // Now calculate the matrix diagonal rho += matrix(i, i) * (values[i] * values[i]); } return rho; } double SlaterSetTools::calculateSpinDensity(const Vector3&) const { return 0.0; } bool SlaterSetTools::isValid() const { return (m_molecule != nullptr) && (dynamic_cast(m_molecule->basisSet()) != nullptr); } inline bool SlaterSetTools::isSmall(double val) const { return std::abs(val) < 1e-20; } std::vector SlaterSetTools::calculateValues( const Vector3& position) const { m_basis->initCalculation(); Index atomsSize = m_molecule->atomCount(); size_t basisSize = m_basis->zetas().size(); const std::vector& slaterIndices = m_basis->slaterIndices(); const std::vector& slaterTypes = m_basis->slaterTypes(); const std::vector& PQNs = m_basis->PQNs(); const std::vector& factors = m_basis->factors(); const std::vector& zetas = m_basis->zetas(); std::vector deltas; std::vector dr2; deltas.reserve(atomsSize); dr2.reserve(atomsSize); // Calculate the deltas for the position for (Index i = 0; i < atomsSize; ++i) { deltas.emplace_back(position - m_molecule->atom(i).position3d()); dr2.push_back(deltas[i].squaredNorm()); } // Allocate space for the values to be calculated. std::vector values; values.resize(basisSize); // Now calculate the values at this point in space for (size_t i = 0; i < basisSize; ++i) { double dr(dr2[slaterIndices[i]]); Vector3 delta(deltas[slaterIndices[i]]); values[i] = factors[i] * exp(-zetas[i] * dr); // Radial part with effective PQNs for (int j = 0; j < PQNs[i]; ++j) values[i] *= dr; switch (slaterTypes[i]) { case SlaterSet::S: break; case SlaterSet::PX: values[i] *= delta.x(); break; case SlaterSet::PY: values[i] *= delta.y(); break; case SlaterSet::PZ: values[i] *= delta.z(); break; case SlaterSet::X2: // (x^2 - y^2)r^n values[i] *= delta.x() * delta.x() - delta.y() * delta.y(); break; case SlaterSet::XZ: // xzr^n values[i] *= delta.x() * delta.z(); break; case SlaterSet::Z2: // (2z^2 - x^2 - y^2)r^n values[i] *= 2.0 * delta.z() * delta.z() - delta.x() * delta.x() - delta.y() * delta.y(); break; case SlaterSet::YZ: // yzr^n values[i] *= delta.y() * delta.z(); break; case SlaterSet::XY: // xyr^n values[i] *= delta.x() * delta.y(); break; default: values[i] = 0.0; } } return values; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/slatersettools.h000066400000000000000000000051001516317240700254600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SLATERSETTOOLS_H #define AVOGADRO_CORE_SLATERSETTOOLS_H #include "avogadrocoreexport.h" #include "vector.h" #include namespace Avogadro::Core { class Molecule; class SlaterSet; /** * @class SlaterSetTools slatersettools.h * @brief Provide tools to calculate molecular orbitals, electron densities and * other derived data stored in a GaussianSet result. * @author Marcus D. Hanwell */ class AVOGADROCORE_EXPORT SlaterSetTools { public: explicit SlaterSetTools(Molecule* mol = nullptr); ~SlaterSetTools() = default; /** * @brief Calculate the value of the specified molecular orbital at the * position specified. * @param position The position in space to calculate the value. * @param molecularOrbitalNumber The molecular orbital number. * @return The value of the molecular orbital at the position specified. */ double calculateMolecularOrbital(const Vector3& position, int molecularOrbitalNumber) const; /** * @brief Calculate the value of the electron density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the electron density at the position specified. */ double calculateElectronDensity(const Vector3& position) const; /** * @brief Calculate the value of the electron spin density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the spin density at the position specified. */ double calculateSpinDensity(const Vector3& position) const; /** * @brief Check that the basis set is valid and can be used. * @return True if valid, false otherwise. */ bool isValid() const; private: Molecule* m_molecule; SlaterSet* m_basis; bool isSmall(double value) const; /** * @brief Calculate the values at this position in space. The public calculate * functions call this function to prepare values before multiplying by the * molecular orbital or density matrix elements. * @param position The position in space to calculate the value. */ std::vector calculateValues(const Vector3& position) const; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SlaterSetTools_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/spacegroupdata.h000066400000000000000000006376701516317240700254220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SPACE_GROUP_DATA #define AVOGADRO_CORE_SPACE_GROUP_DATA // This file contains data for each hall number. // For example, [3] accesses data for hall number 3. // [0] is a dummy in every case. There are 530 entries in each one. namespace Avogadro::Core { const unsigned short space_group_international_number[] = { 0, 1, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 14, 14, 14, 14, 14, 14, 14, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 16, 17, 17, 17, 18, 18, 18, 19, 20, 20, 20, 21, 21, 21, 22, 23, 24, 25, 25, 25, 26, 26, 26, 26, 26, 26, 27, 27, 27, 28, 28, 28, 28, 28, 28, 29, 29, 29, 29, 29, 29, 30, 30, 30, 30, 30, 30, 31, 31, 31, 31, 31, 31, 32, 32, 32, 33, 33, 33, 33, 33, 33, 34, 34, 34, 35, 35, 35, 36, 36, 36, 36, 36, 36, 37, 37, 37, 38, 38, 38, 38, 38, 38, 39, 39, 39, 39, 39, 39, 40, 40, 40, 40, 40, 40, 41, 41, 41, 41, 41, 41, 42, 42, 42, 43, 43, 43, 44, 44, 44, 45, 45, 45, 46, 46, 46, 46, 46, 46, 47, 48, 48, 49, 49, 49, 50, 50, 50, 50, 50, 50, 51, 51, 51, 51, 51, 51, 52, 52, 52, 52, 52, 52, 53, 53, 53, 53, 53, 53, 54, 54, 54, 54, 54, 54, 55, 55, 55, 56, 56, 56, 57, 57, 57, 57, 57, 57, 58, 58, 58, 59, 59, 59, 59, 59, 59, 60, 60, 60, 60, 60, 60, 61, 61, 62, 62, 62, 62, 62, 62, 63, 63, 63, 63, 63, 63, 64, 64, 64, 64, 64, 64, 65, 65, 65, 66, 66, 66, 67, 67, 67, 67, 67, 67, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 69, 70, 70, 71, 72, 72, 72, 73, 73, 74, 74, 74, 74, 74, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 85, 86, 86, 87, 88, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 125, 126, 126, 127, 128, 129, 129, 130, 130, 131, 132, 133, 133, 134, 134, 135, 136, 137, 137, 138, 138, 139, 140, 141, 141, 142, 142, 143, 144, 145, 146, 146, 147, 148, 148, 149, 150, 151, 152, 153, 154, 155, 155, 156, 157, 158, 159, 160, 160, 161, 161, 162, 163, 164, 165, 166, 166, 167, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 201, 202, 203, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 222, 223, 224, 224, 225, 226, 227, 227, 228, 228, 229, 230 }; const char* space_group_schoenflies[] = { "", "C1^1", "Ci^1", "C2^1", "C2^1", "C2^1", "C2^2", "C2^2", "C2^2", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "Cs^1", "Cs^1", "Cs^1", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "C2h^1", "C2h^1", "C2h^1", "C2h^2", "C2h^2", "C2h^2", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "D2^1", "D2^2", "D2^2", "D2^2", "D2^3", "D2^3", "D2^3", "D2^4", "D2^5", "D2^5", "D2^5", "D2^6", "D2^6", "D2^6", "D2^7", "D2^8", "D2^9", "C2v^1", "C2v^1", "C2v^1", "C2v^2", "C2v^2", "C2v^2", "C2v^2", "C2v^2", "C2v^2", "C2v^3", "C2v^3", "C2v^3", "C2v^4", "C2v^4", "C2v^4", "C2v^4", "C2v^4", "C2v^4", "C2v^5", "C2v^5", "C2v^5", "C2v^5", "C2v^5", "C2v^5", "C2v^6", "C2v^6", "C2v^6", "C2v^6", "C2v^6", "C2v^6", "C2v^7", "C2v^7", "C2v^7", "C2v^7", "C2v^7", "C2v^7", "C2v^8", "C2v^8", "C2v^8", "C2v^9", "C2v^9", "C2v^9", "C2v^9", "C2v^9", "C2v^9", "C2v^10", "C2v^10", "C2v^10", "C2v^11", "C2v^11", "C2v^11", "C2v^12", "C2v^12", "C2v^12", "C2v^12", "C2v^12", "C2v^12", "C2v^13", "C2v^13", "C2v^13", "C2v^14", "C2v^14", "C2v^14", "C2v^14", "C2v^14", "C2v^14", "C2v^15", "C2v^15", "C2v^15", "C2v^15", "C2v^15", "C2v^15", "C2v^16", "C2v^16", "C2v^16", "C2v^16", "C2v^16", "C2v^16", "C2v^17", "C2v^17", "C2v^17", "C2v^17", "C2v^17", "C2v^17", "C2v^18", "C2v^18", "C2v^18", "C2v^19", "C2v^19", "C2v^19", "C2v^20", "C2v^20", "C2v^20", "C2v^21", "C2v^21", "C2v^21", "C2v^22", "C2v^22", "C2v^22", "C2v^22", "C2v^22", "C2v^22", "D2h^1", "D2h^2", "D2h^2", "D2h^3", "D2h^3", "D2h^3", "D2h^4", "D2h^4", "D2h^4", "D2h^4", "D2h^4", "D2h^4", "D2h^5", "D2h^5", "D2h^5", "D2h^5", "D2h^5", "D2h^5", "D2h^6", "D2h^6", "D2h^6", "D2h^6", "D2h^6", "D2h^6", "D2h^7", "D2h^7", "D2h^7", "D2h^7", "D2h^7", "D2h^7", "D2h^8", "D2h^8", "D2h^8", "D2h^8", "D2h^8", "D2h^8", "D2h^9", "D2h^9", "D2h^9", "D2h^10", "D2h^10", "D2h^10", "D2h^11", "D2h^11", "D2h^11", "D2h^11", "D2h^11", "D2h^11", "D2h^12", "D2h^12", "D2h^12", "D2h^13", "D2h^13", "D2h^13", "D2h^13", "D2h^13", "D2h^13", "D2h^14", "D2h^14", "D2h^14", "D2h^14", "D2h^14", "D2h^14", "D2h^15", "D2h^15", "D2h^16", "D2h^16", "D2h^16", "D2h^16", "D2h^16", "D2h^16", "D2h^17", "D2h^17", "D2h^17", "D2h^17", "D2h^17", "D2h^17", "D2h^18", "D2h^18", "D2h^18", "D2h^18", "D2h^18", "D2h^18", "D2h^19", "D2h^19", "D2h^19", "D2h^20", "D2h^20", "D2h^20", "D2h^21", "D2h^21", "D2h^21", "D2h^21", "D2h^21", "D2h^21", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^23", "D2h^24", "D2h^24", "D2h^25", "D2h^26", "D2h^26", "D2h^26", "D2h^27", "D2h^27", "D2h^28", "D2h^28", "D2h^28", "D2h^28", "D2h^28", "D2h^28", "C4^1", "C4^2", "C4^3", "C4^4", "C4^5", "C4^6", "S4^1", "S4^2", "C4h^1", "C4h^2", "C4h^3", "C4h^3", "C4h^4", "C4h^4", "C4h^5", "C4h^6", "C4h^6", "D4^1", "D4^2", "D4^3", "D4^4", "D4^5", "D4^6", "D4^7", "D4^8", "D4^9", "D4^10", "C4v^1", "C4v^2", "C4v^3", "C4v^4", "C4v^5", "C4v^6", "C4v^7", "C4v^8", "C4v^9", "C4v^10", "C4v^11", "C4v^12", "D2d^1", "D2d^2", "D2d^3", "D2d^4", "D2d^5", "D2d^6", "D2d^7", "D2d^8", "D2d^9", "D2d^10", "D2d^11", "D2d^12", "D4h^1", "D4h^2", "D4h^3", "D4h^3", "D4h^4", "D4h^4", "D4h^5", "D4h^6", "D4h^7", "D4h^7", "D4h^8", "D4h^8", "D4h^9", "D4h^10", "D4h^11", "D4h^11", "D4h^12", "D4h^12", "D4h^13", "D4h^14", "D4h^15", "D4h^15", "D4h^16", "D4h^16", "D4h^17", "D4h^18", "D4h^19", "D4h^19", "D4h^20", "D4h^20", "C3^1", "C3^2", "C3^3", "C3^4", "C3^4", "C3i^1", "C3i^2", "C3i^2", "D3^1", "D3^2", "D3^3", "D3^4", "D3^5", "D3^6", "D3^7", "D3^7", "C3v^1", "C3v^2", "C3v^3", "C3v^4", "C3v^5", "C3v^5", "C3v^6", "C3v^6", "D3d^1", "D3d^2", "D3d^3", "D3d^4", "D3d^5", "D3d^5", "D3d^6", "D3d^6", "C6^1", "C6^2", "C6^3", "C6^4", "C6^5", "C6^6", "C3h^1", "C6h^1", "C6h^2", "D6^1", "D6^2", "D6^3", "D6^4", "D6^5", "D6^6", "C6v^1", "C6v^2", "C6v^3", "C6v^4", "D3h^1", "D3h^2", "D3h^3", "D3h^4", "D6h^1", "D6h^2", "D6h^3", "D6h^4", "T^1", "T^2", "T^3", "T^4", "T^5", "Th^1", "Th^2", "Th^2", "Th^3", "Th^4", "Th^4", "Th^5", "Th^6", "Th^7", "O^1", "O^2", "O^3", "O^4", "O^5", "O^6", "O^7", "O^8", "Td^1", "Td^2", "Td^3", "Td^4", "Td^5", "Td^6", "Oh^1", "Oh^2", "Oh^2", "Oh^3", "Oh^4", "Oh^4", "Oh^5", "Oh^6", "Oh^7", "Oh^7", "Oh^8", "Oh^8", "Oh^9", "Oh^10" }; const char* space_group_hall_symbol[] = { "", "P 1", "-P 1", "P 2y", "P 2", "P 2x", "P 2yb", "P 2c", "P 2xa", "C 2y", "A 2y", "I 2y", "A 2", "B 2", "I 2", "B 2x", "C 2x", "I 2x", "P -2y", "P -2", "P -2x", "P -2yc", "P -2yac", "P -2ya", "P -2a", "P -2ab", "P -2b", "P -2xb", "P -2xbc", "P -2xc", "C -2y", "A -2y", "I -2y", "A -2", "B -2", "I -2", "B -2x", "C -2x", "I -2x", "C -2yc", "A -2yac", "I -2ya", "A -2ya", "C -2ybc", "I -2yc", "A -2a", "B -2bc", "I -2b", "B -2b", "A -2ac", "I -2a", "B -2xb", "C -2xbc", "I -2xc", "C -2xc", "B -2xbc", "I -2xb", "-P 2y", "-P 2", "-P 2x", "-P 2yb", "-P 2c", "-P 2xa", "-C 2y", "-A 2y", "-I 2y", "-A 2", "-B 2", "-I 2", "-B 2x", "-C 2x", "-I 2x", "-P 2yc", "-P 2yac", "-P 2ya", "-P 2a", "-P 2ab", "-P 2b", "-P 2xb", "-P 2xbc", "-P 2xc", "-P 2ybc", "-P 2yn", "-P 2yab", "-P 2ac", "-P 2n", "-P 2bc", "-P 2xab", "-P 2xn", "-P 2xac", "-C 2yc", "-A 2yac", "-I 2ya", "-A 2ya", "-C 2ybc", "-I 2yc", "-A 2a", "-B 2bc", "-I 2b", "-B 2b", "-A 2ac", "-I 2a", "-B 2xb", "-C 2xbc", "-I 2xc", "-C 2xc", "-B 2xbc", "-I 2xb", "P 2 2", "P 2c 2", "P 2a 2a", "P 2 2b", "P 2 2ab", "P 2bc 2", "P 2ac 2ac", "P 2ac 2ab", "C 2c 2", "A 2a 2a", "B 2 2b", "C 2 2", "A 2 2", "B 2 2", "F 2 2", "I 2 2", "I 2b 2c", "P 2 -2", "P -2 2", "P -2 -2", "P 2c -2", "P 2c -2c", "P -2a 2a", "P -2 2a", "P -2 -2b", "P -2b -2", "P 2 -2c", "P -2a 2", "P -2b -2b", "P 2 -2a", "P 2 -2b", "P -2b 2", "P -2c 2", "P -2c -2c", "P -2a -2a", "P 2c -2ac", "P 2c -2b", "P -2b 2a", "P -2ac 2a", "P -2bc -2c", "P -2a -2ab", "P 2 -2bc", "P 2 -2ac", "P -2ac 2", "P -2ab 2", "P -2ab -2ab", "P -2bc -2bc", "P 2ac -2", "P 2bc -2bc", "P -2ab 2ab", "P -2 2ac", "P -2 -2bc", "P -2ab -2", "P 2 -2ab", "P -2bc 2", "P -2ac -2ac", "P 2c -2n", "P 2c -2ab", "P -2bc 2a", "P -2n 2a", "P -2n -2ac", "P -2ac -2n", "P 2 -2n", "P -2n 2", "P -2n -2n", "C 2 -2", "A -2 2", "B -2 -2", "C 2c -2", "C 2c -2c", "A -2a 2a", "A -2 2a", "B -2 -2b", "B -2b -2", "C 2 -2c", "A -2a 2", "B -2b -2b", "A 2 -2", "B 2 -2", "B -2 2", "C -2 2", "C -2 -2", "A -2 -2", "A 2 -2c", "B 2 -2c", "B -2c 2", "C -2b 2", "C -2b -2b", "A -2c -2c", "A 2 -2a", "B 2 -2b", "B -2b 2", "C -2c 2", "C -2c -2c", "A -2a -2a", "A 2 -2ac", "B 2 -2bc", "B -2bc 2", "C -2bc 2", "C -2bc -2bc", "A -2ac -2ac", "F 2 -2", "F -2 2", "F -2 -2", "F 2 -2d", "F -2d 2", "F -2d -2d", "I 2 -2", "I -2 2", "I -2 -2", "I 2 -2c", "I -2a 2", "I -2b -2b", "I 2 -2a", "I 2 -2b", "I -2b 2", "I -2c 2", "I -2c -2c", "I -2a -2a", "-P 2 2", "P 2 2 -1n", "-P 2ab 2bc", "-P 2 2c", "-P 2a 2", "-P 2b 2b", "P 2 2 -1ab", "-P 2ab 2b", "P 2 2 -1bc", "-P 2b 2bc", "P 2 2 -1ac", "-P 2a 2c", "-P 2a 2a", "-P 2b 2", "-P 2 2b", "-P 2c 2c", "-P 2c 2", "-P 2 2a", "-P 2a 2bc", "-P 2b 2n", "-P 2n 2b", "-P 2ab 2c", "-P 2ab 2n", "-P 2n 2bc", "-P 2ac 2", "-P 2bc 2bc", "-P 2ab 2ab", "-P 2 2ac", "-P 2 2bc", "-P 2ab 2", "-P 2a 2ac", "-P 2b 2c", "-P 2a 2b", "-P 2ac 2c", "-P 2bc 2b", "-P 2b 2ab", "-P 2 2ab", "-P 2bc 2", "-P 2ac 2ac", "-P 2ab 2ac", "-P 2ac 2bc", "-P 2bc 2ab", "-P 2c 2b", "-P 2c 2ac", "-P 2ac 2a", "-P 2b 2a", "-P 2a 2ab", "-P 2bc 2c", "-P 2 2n", "-P 2n 2", "-P 2n 2n", "P 2 2ab -1ab", "-P 2ab 2a", "P 2bc 2 -1bc", "-P 2c 2bc", "P 2ac 2ac -1ac", "-P 2c 2a", "-P 2n 2ab", "-P 2n 2c", "-P 2a 2n", "-P 2bc 2n", "-P 2ac 2b", "-P 2b 2ac", "-P 2ac 2ab", "-P 2bc 2ac", "-P 2ac 2n", "-P 2bc 2a", "-P 2c 2ab", "-P 2n 2ac", "-P 2n 2a", "-P 2c 2n", "-C 2c 2", "-C 2c 2c", "-A 2a 2a", "-A 2 2a", "-B 2 2b", "-B 2b 2", "-C 2bc 2", "-C 2bc 2bc", "-A 2ac 2ac", "-A 2 2ac", "-B 2 2bc", "-B 2bc 2", "-C 2 2", "-A 2 2", "-B 2 2", "-C 2 2c", "-A 2a 2", "-B 2b 2b", "-C 2b 2", "-C 2b 2b", "-A 2c 2c", "-A 2 2c", "-B 2 2c", "-B 2c 2", "C 2 2 -1bc", "-C 2b 2bc", "C 2 2 -1bc", "-C 2b 2c", "A 2 2 -1ac", "-A 2a 2c", "A 2 2 -1ac", "-A 2ac 2c", "B 2 2 -1bc", "-B 2bc 2b", "B 2 2 -1bc", "-B 2b 2bc", "-F 2 2", "F 2 2 -1d", "-F 2uv 2vw", "-I 2 2", "-I 2 2c", "-I 2a 2", "-I 2b 2b", "-I 2b 2c", "-I 2a 2b", "-I 2b 2", "-I 2a 2a", "-I 2c 2c", "-I 2 2b", "-I 2 2a", "-I 2c 2", "P 4", "P 4w", "P 4c", "P 4cw", "I 4", "I 4bw", "P -4", "I -4", "-P 4", "-P 4c", "P 4ab -1ab", "-P 4a", "P 4n -1n", "-P 4bc", "-I 4", "I 4bw -1bw", "-I 4ad", "P 4 2", "P 4ab 2ab", "P 4w 2c", "P 4abw 2nw", "P 4c 2", "P 4n 2n", "P 4cw 2c", "P 4nw 2abw", "I 4 2", "I 4bw 2bw", "P 4 -2", "P 4 -2ab", "P 4c -2c", "P 4n -2n", "P 4 -2c", "P 4 -2n", "P 4c -2", "P 4c -2ab", "I 4 -2", "I 4 -2c", "I 4bw -2", "I 4bw -2c", "P -4 2", "P -4 2c", "P -4 2ab", "P -4 2n", "P -4 -2", "P -4 -2c", "P -4 -2ab", "P -4 -2n", "I -4 -2", "I -4 -2c", "I -4 2", "I -4 2bw", "-P 4 2", "-P 4 2c", "P 4 2 -1ab", "-P 4a 2b", "P 4 2 -1n", "-P 4a 2bc", "-P 4 2ab", "-P 4 2n", "P 4ab 2ab -1ab", "-P 4a 2a", "P 4ab 2n -1ab", "-P 4a 2ac", "-P 4c 2", "-P 4c 2c", "P 4n 2c -1n", "-P 4ac 2b", "P 4n 2 -1n", "-P 4ac 2bc", "-P 4c 2ab", "-P 4n 2n", "P 4n 2n -1n", "-P 4ac 2a", "P 4n 2ab -1n", "-P 4ac 2ac", "-I 4 2", "-I 4 2c", "I 4bw 2bw -1bw", "-I 4bd 2", "I 4bw 2aw -1bw", "-I 4bd 2c", "P 3", "P 31", "P 32", "R 3", "P 3*", "-P 3", "-R 3", "-P 3*", "P 3 2", "P 3 2=", "P 31 2c (0 0 1)", "P 31 2=", "P 32 2c (0 0 -1)", "P 32 2=", "R 3 2=", "P 3* 2", "P 3 -2=", "P 3 -2", "P 3 -2=c", "P 3 -2c", "R 3 -2=", "P 3* -2", "R 3 -2=c", "P 3* -2n", "-P 3 2", "-P 3 2c", "-P 3 2=", "-P 3 2=c", "-R 3 2=", "-P 3* 2", "-R 3 2=c", "-P 3* 2n", "P 6", "P 61", "P 65", "P 62", "P 64", "P 6c", "P -6", "-P 6", "-P 6c", "P 6 2", "P 61 2 (0 0 -1)", "P 65 2 (0 0 1)", "P 62 2c (0 0 1)", "P 64 2c (0 0 -1)", "P 6c 2c", "P 6 -2", "P 6 -2c", "P 6c -2", "P 6c -2c", "P -6 2", "P -6c 2", "P -6 -2", "P -6c -2c", "-P 6 2", "-P 6 2c", "-P 6c 2", "-P 6c 2c", "P 2 2 3", "F 2 2 3", "I 2 2 3", "P 2ac 2ab 3", "I 2b 2c 3", "-P 2 2 3", "P 2 2 3 -1n", "-P 2ab 2bc 3", "-F 2 2 3", "F 2 2 3 -1d", "-F 2uv 2vw 3", "-I 2 2 3", "-P 2ac 2ab 3", "-I 2b 2c 3", "P 4 2 3", "P 4n 2 3", "F 4 2 3", "F 4d 2 3", "I 4 2 3", "P 4acd 2ab 3", "P 4bd 2ab 3", "I 4bd 2c 3", "P -4 2 3", "F -4 2 3", "I -4 2 3", "P -4n 2 3", "F -4c 2 3", "I -4bd 2c 3", "-P 4 2 3", "P 4 2 3 -1n", "-P 4a 2bc 3", "-P 4n 2 3", "P 4n 2 3 -1n", "-P 4bc 2bc 3", "-F 4 2 3", "-F 4c 2 3", "F 4d 2 3 -1d", "-F 4vw 2vw 3", "F 4d 2 3 -1cd", "-F 4cvw 2vw 3", "-I 4 2 3", "-I 4bd 2c 3" }; const char* space_group_international[] = { "", "P 1", "P -1", "P 2 = P 1 2 1", "P 2 = P 1 1 2", "P 2 = P 2 1 1", "P 2_1 = P 1 2_1 1", "P 2_1 = P 1 1 2_1", "P 2_1 = P 2_1 1 1", "C 2 = C 1 2 1", "C 2 = A 1 2 1", "C 2 = I 1 2 1", "C 2 = A 1 1 2", "C 2 = B 1 1 2 = B 2", "C 2 = I 1 1 2", "C 2 = B 2 1 1", "C 2 = C 2 1 1", "C 2 = I 2 1 1", "P m = P 1 m 1", "P m = P 1 1 m", "P m = P m 1 1", "P c = P 1 c 1", "P c = P 1 n 1", "P c = P 1 a 1", "P c = P 1 1 a", "P c = P 1 1 n", "P c = P 1 1 b = P b", "P c = P b 1 1", "P c = P n 1 1", "P c = P c 1 1", "C m = C 1 m 1", "C m = A 1 m 1", "C m = I 1 m 1", "C m = A 1 1 m", "C m = B 1 1 m = B m", "C m = I 1 1 m", "C m = B m 1 1", "C m = C m 1 1", "C m = I m 1 1", "C c = C 1 c 1", "C c = A 1 n 1", "C c = I 1 a 1", "C c = A 1 a 1", "C c = C 1 n 1", "C c = I 1 c 1", "C c = A 1 1 a", "C c = B 1 1 n", "C c = I 1 1 b", "C c = B 1 1 b = B b", "C c = A 1 1 n", "C c = I 1 1 a", "C c = B b 1 1", "C c = C n 1 1", "C c = I c 1 1", "C c = C c 1 1", "C c = B n 1 1", "C c = I b 1 1", "P 2/m = P 1 2/m 1", "P 2/m = P 1 1 2/m", "P 2/m = P 2/m 1 1", "P 2_1/m = P 1 2_1/m 1", "P 2_1/m = P 1 1 2_1/m", "P 2_1/m = P 2_1/m 1 1", "C 2/m = C 1 2/m 1", "C 2/m = A 1 2/m 1", "C 2/m = I 1 2/m 1", "C 2/m = A 1 1 2/m", "C 2/m = B 1 1 2/m = B 2/m", "C 2/m = I 1 1 2/m", "C 2/m = B 2/m 1 1", "C 2/m = C 2/m 1 1", "C 2/m = I 2/m 1 1", "P 2/c = P 1 2/c 1", "P 2/c = P 1 2/n 1", "P 2/c = P 1 2/a 1", "P 2/c = P 1 1 2/a", "P 2/c = P 1 1 2/n", "P 2/c = P 1 1 2/b = P 2/b", "P 2/c = P 2/b 1 1", "P 2/c = P 2/n 1 1", "P 2/c = P 2/c 1 1", "P 2_1/c = P 1 2_1/c 1", "P 2_1/c = P 1 2_1/n 1", "P 2_1/c = P 1 2_1/a 1", "P 2_1/c = P 1 1 2_1/a", "P 2_1/c = P 1 1 2_1/n", "P 2_1/c = P 1 1 2_1/b = P 2_1/b", "P 2_1/c = P 2_1/b 1 1", "P 2_1/c = P 2_1/n 1 1", "P 2_1/c = P 2_1/c 1 1", "C 2/c = C 1 2/c 1", "C 2/c = A 1 2/n 1", "C 2/c = I 1 2/a 1", "C 2/c = A 1 2/a 1", "C 2/c = C 1 2/n 1", "C 2/c = I 1 2/c 1", "C 2/c = A 1 1 2/a", "C 2/c = B 1 1 2/n", "C 2/c = I 1 1 2/b", "C 2/c = B 1 1 2/b = B 2/b", "C 2/c = A 1 1 2/n", "C 2/c = I 1 1 2/a", "C 2/c = B 2/b 1 1", "C 2/c = C 2/n 1 1", "C 2/c = I 2/c 1 1", "C 2/c = C 2/c 1 1", "C 2/c = B 2/n 1 1", "C 2/c = I 2/b 1 1", "P 2 2 2", "P 2 2 2_1", "P 2_1 2 2", "P 2 2_1 2", "P 2_1 2_1 2", "P 2 2_1 2_1", "P 2_1 2 2_1", "P 2_1 2_1 2_1", "C 2 2 2_1", "A 2_1 2 2", "B 2 2_1 2", "C 2 2 2", "A 2 2 2", "B 2 2 2", "F 2 2 2", "I 2 2 2", "I 2_1 2_1 2_1", "P m m 2", "P 2 m m", "P m 2 m", "P m c 2_1", "P c m 2_1", "P 2_1 m a", "P 2_1 a m", "P b 2_1 m", "P m 2_1 b", "P c c 2", "P 2 a a", "P b 2 b", "P m a 2", "P b m 2", "P 2 m b", "P 2 c m", "P c 2 m", "P m 2 a", "P c a 2_1", "P b c 2_1", "P 2_1 a b", "P 2_1 c a", "P c 2_1 b", "P b 2_1 a", "P n c 2", "P c n 2", "P 2 n a", "P 2 a n", "P b 2 n", "P n 2 b", "P m n 2_1", "P n m 2_1", "P 2_1 m n", "P 2_1 n m", "P n 2_1 m", "P m 2_1 n", "P b a 2", "P 2 c b", "P c 2 a", "P n a 2_1", "P b n 2_1", "P 2_1 n b", "P 2_1 c n", "P c 2_1 n", "P n 2_1 a", "P n n 2", "P 2 n n", "P n 2 n", "C m m 2", "A 2 m m", "B m 2 m", "C m c 2_1", "C c m 2_1", "A 2_1 m a", "A 2_1 a m", "B b 2_1 m", "B m 2_1 b", "C c c 2", "A 2 a a", "B b 2 b", "A m m 2", "B m m 2", "B 2 m m", "C 2 m m", "C m 2 m", "A m 2 m", "A e m 2", "B m e 2", "B 2 e m", "C 2 m e", "C m 2 e", "A e 2 m", "A m a 2", "B b m 2", "B 2 m b", "C 2 c m", "C c 2 m", "A m 2 a", "A e a 2", "B b e 2", "B 2 e b", "C 2 c e", "C c 2 e", "A e 2 a", "F m m 2", "F 2 m m", "F m 2 m", "F d d 2", "F 2 d d", "F d 2 d", "I m m 2", "I 2 m m", "I m 2 m", "I b a 2", "I 2 c b", "I c 2 a", "I m a 2", "I b m 2", "I 2 m b", "I 2 c m", "I c 2 m", "I m 2 a", "P m m m", "P n n n", "P n n n", "P c c m", "P m a a", "P b m b", "P b a n", "P b a n", "P n c b", "P n c b", "P c n a", "P c n a", "P m m a", "P m m b", "P b m m", "P c m m", "P m c m", "P m a m", "P n n a", "P n n b", "P b n n", "P c n n", "P n c n", "P n a n", "P m n a", "P n m b", "P b m n", "P c n m", "P n c m", "P m a n", "P c c a", "P c c b", "P b a a", "P c a a", "P b c b", "P b a b", "P b a m", "P m c b", "P c m a", "P c c n", "P n a a", "P b n b", "P b c m", "P c a m", "P m c a", "P m a b", "P b m a", "P c m b", "P n n m", "P m n n", "P n m n", "P m m n", "P m m n", "P n m m", "P n m m", "P m n m", "P m n m", "P b c n", "P c a n", "P n c a", "P n a b", "P b n a", "P c n b", "P b c a", "P c a b", "P n m a", "P m n b", "P b n m", "P c m n", "P m c n", "P n a m", "C m c m", "C c m m", "A m m a", "A m a m", "B b m m", "B m m b", "C m c e", "C c m e", "A e m a", "A e a m", "B b e m", "B m e b", "C m m m", "A m m m", "B m m m", "C c c m", "A m a a", "B b m b", "C m m e", "C m m e", "A e m m", "A e m m", "B m e m", "B m e m", "C c c e", "C c c e", "C c c e", "C c c e", "A e a a", "A e a a", "A e a a", "A e a a", "B b e b", "B b c b", "B b e b", "B b e b", "F m m m", "F d d d", "F d d d", "I m m m", "I b a m", "I m c b", "I c m a", "I b c a", "I c a b", "I m m a", "I m m b", "I b m m", "I c m m", "I m c m", "I m a m", "P 4", "P 4_1", "P 4_2", "P 4_3", "I 4", "I 4_1", "P -4", "I -4", "P 4/m", "P 4_2/m", "P 4/n", "P 4/n", "P 4_2/n", "P 4_2/n", "I 4/m", "I 4_1/a", "I 4_1/a", "P 4 2 2", "P 4 2_1 2", "P 4_1 2 2", "P 4_1 2_1 2", "P 4_2 2 2", "P 4_2 2_1 2", "P 4_3 2 2", "P 4_3 2_1 2", "I 4 2 2", "I 4_1 2 2", "P 4 m m", "P 4 b m", "P 4_2 c m", "P 4_2 n m", "P 4 c c", "P 4 n c", "P 4_2 m c", "P 4_2 b c", "I 4 m m", "I 4 c m", "I 4_1 m d", "I 4_1 c d", "P -4 2 m", "P -4 2 c", "P -4 2_1 m", "P -4 2_1 c", "P -4 m 2", "P -4 c 2", "P -4 b 2", "P -4 n 2", "I -4 m 2", "I -4 c 2", "I -4 2 m", "I -4 2 d", "P 4/m m m", "P 4/m c c", "P 4/n b m", "P 4/n b m", "P 4/n n c", "P 4/n n c", "P 4/m b m", "P 4/m n c", "P 4/n m m", "P 4/n m m", "P 4/n c c", "P 4/n c c", "P 4_2/m m c", "P 4_2/m c m", "P 4_2/n b c", "P 4_2/n b c", "P 4_2/n n m", "P 4_2/n n m", "P 4_2/m b c", "P 4_2/m n m", "P 4_2/n m c", "P 4_2/n m c", "P 4_2/n c m", "P 4_2/n c m", "I 4/m m m", "I 4/m c m", "I 4_1/a m d", "I 4_1/a m d", "I 4_1/a c d", "I 4_1/a c d", "P 3", "P 3_1", "P 3_2", "R 3", "R 3", "P -3", "R -3", "R -3", "P 3 1 2", "P 3 2 1", "P 3_1 1 2", "P 3_1 2 1", "P 3_2 1 2", "P 3_2 2 1", "R 3 2", "R 3 2", "P 3 m 1", "P 3 1 m", "P 3 c 1", "P 3 1 c", "R 3 m", "R 3 m", "R 3 c", "R 3 c", "P -3 1 m", "P -3 1 c", "P -3 m 1", "P -3 c 1", "R -3 m", "R -3 m", "R -3 c", "R -3 c", "P 6", "P 6_1", "P 6_5", "P 6_2", "P 6_4", "P 6_3", "P -6", "P 6/m", "P 6_3/m", "P 6 2 2", "P 6_1 2 2", "P 6_5 2 2", "P 6_2 2 2", "P 6_4 2 2", "P 6_3 2 2", "P 6 m m", "P 6 c c", "P 6_3 c m", "P 6_3 m c", "P -6 m 2", "P -6 c 2", "P -6 2 m", "P -6 2 c", "P 6/m m m", "P 6/m c c", "P 6_3/m c m", "P 6_3/m m c", "P 2 3", "F 2 3", "I 2 3", "P 2_1 3", "I 2_1 3", "P m 3", "P n 3", "P n 3", "F m 3", "F d 3", "F d 3", "I m 3", "P a 3", "I a 3", "P 4 3 2", "P 4_2 3 2", "F 4 3 2", "F 4_1 3 2", "I 4 3 2", "P 4_3 3 2", "P 4_1 3 2", "I 4_1 3 2", "P -4 3 m", "F -4 3 m", "I -4 3 m", "P -4 3 n", "F -4 3 c", "I -4 3 d", "P m -3 m", "P n -3 n", "P n -3 n", "P m -3 n", "P n -3 m", "P n -3 m", "F m -3 m", "F m -3 c", "F d -3 m", "F d -3 m", "F d -3 c", "F d -3 c", "I m -3 m", "I a -3 d" }; const char* space_group_international_full[] = { "", "P 1", "P -1", "P 1 2 1", "P 1 1 2", "P 2 1 1", "P 1 2_1 1", "P 1 1 2_1", "P 2_1 1 1", "C 1 2 1", "A 1 2 1", "I 1 2 1", "A 1 1 2", "B 1 1 2", "I 1 1 2", "B 2 1 1", "C 2 1 1", "I 2 1 1", "P 1 m 1", "P 1 1 m", "P m 1 1", "P 1 c 1", "P 1 n 1", "P 1 a 1", "P 1 1 a", "P 1 1 n", "P 1 1 b", "P b 1 1", "P n 1 1", "P c 1 1", "C 1 m 1", "A 1 m 1", "I 1 m 1", "A 1 1 m", "B 1 1 m", "I 1 1 m", "B m 1 1", "C m 1 1", "I m 1 1", "C 1 c 1", "A 1 n 1", "I 1 a 1", "A 1 a 1", "C 1 n 1", "I 1 c 1", "A 1 1 a", "B 1 1 n", "I 1 1 b", "B 1 1 b", "A 1 1 n", "I 1 1 a", "B b 1 1", "C n 1 1", "I c 1 1", "C c 1 1", "B n 1 1", "I b 1 1", "P 1 2/m 1", "P 1 1 2/m", "P 2/m 1 1", "P 1 2_1/m 1", "P 1 1 2_1/m", "P 2_1/m 1 1", "C 1 2/m 1", "A 1 2/m 1", "I 1 2/m 1", "A 1 1 2/m", "B 1 1 2/m", "I 1 1 2/m", "B 2/m 1 1", "C 2/m 1 1", "I 2/m 1 1", "P 1 2/c 1", "P 1 2/n 1", "P 1 2/a 1", "P 1 1 2/a", "P 1 1 2/n", "P 1 1 2/b", "P 2/b 1 1", "P 2/n 1 1", "P 2/c 1 1", "P 1 2_1/c 1", "P 1 2_1/n 1", "P 1 2_1/a 1", "P 1 1 2_1/a", "P 1 1 2_1/n", "P 1 1 2_1/b", "P 2_1/b 1 1", "P 2_1/n 1 1", "P 2_1/c 1 1", "C 1 2/c 1", "A 1 2/n 1", "I 1 2/a 1", "A 1 2/a 1", "C 1 2/n 1", "I 1 2/c 1", "A 1 1 2/a", "B 1 1 2/n", "I 1 1 2/b", "B 1 1 2/b", "A 1 1 2/n", "I 1 1 2/a", "B 2/b 1 1", "C 2/n 1 1", "I 2/c 1 1", "C 2/c 1 1", "B 2/n 1 1", "I 2/b 1 1", "P 2 2 2", "P 2 2 2_1", "P 2_1 2 2", "P 2 2_1 2", "P 2_1 2_1 2", "P 2 2_1 2_1", "P 2_1 2 2_1", "P 2_1 2_1 2_1", "C 2 2 2_1", "A 2_1 2 2", "B 2 2_1 2", "C 2 2 2", "A 2 2 2", "B 2 2 2", "F 2 2 2", "I 2 2 2", "I 2_1 2_1 2_1", "P m m 2", "P 2 m m", "P m 2 m", "P m c 2_1", "P c m 2_1", "P 2_1 m a", "P 2_1 a m", "P b 2_1 m", "P m 2_1 b", "P c c 2", "P 2 a a", "P b 2 b", "P m a 2", "P b m 2", "P 2 m b", "P 2 c m", "P c 2 m", "P m 2 a", "P c a 2_1", "P b c 2_1", "P 2_1 a b", "P 2_1 c a", "P c 2_1 b", "P b 2_1 a", "P n c 2", "P c n 2", "P 2 n a", "P 2 a n", "P b 2 n", "P n 2 b", "P m n 2_1", "P n m 2_1", "P 2_1 m n", "P 2_1 n m", "P n 2_1 m", "P m 2_1 n", "P b a 2", "P 2 c b", "P c 2 a", "P n a 2_1", "P b n 2_1", "P 2_1 n b", "P 2_1 c n", "P c 2_1 n", "P n 2_1 a", "P n n 2", "P 2 n n", "P n 2 n", "C m m 2", "A 2 m m", "B m 2 m", "C m c 2_1", "C c m 2_1", "A 2_1 m a", "A 2_1 a m", "B b 2_1 m", "B m 2_1 b", "C c c 2", "A 2 a a", "B b 2 b", "A m m 2", "B m m 2", "B 2 m m", "C 2 m m", "C m 2 m", "A m 2 m", "A e m 2", "B m e 2", "B 2 e m", "C 2 m e", "C m 2 e", "A e 2 m", "A m a 2", "B b m 2", "B 2 m b", "C 2 c m", "C c 2 m", "A m 2 a", "A e a 2", "B b e 2", "B 2 e b", "C 2 c e", "C c 2 e", "A e 2 a", "F m m 2", "F 2 m m", "F m 2 m", "F d d 2", "F 2 d d", "F d 2 d", "I m m 2", "I 2 m m", "I m 2 m", "I b a 2", "I 2 c b", "I c 2 a", "I m a 2", "I b m 2", "I 2 m b", "I 2 c m", "I c 2 m", "I m 2 a", "P 2/m 2/m 2/m", "P 2/n 2/n 2/n", "P 2/n 2/n 2/n", "P 2/c 2/c 2/m", "P 2/m 2/a 2/a", "P 2/b 2/m 2/b", "P 2/b 2/a 2/n", "P 2/b 2/a 2/n", "P 2/n 2/c 2/b", "P 2/n 2/c 2/b", "P 2/c 2/n 2/a", "P 2/c 2/n 2/a", "P 2_1/m 2/m 2/a", "P 2/m 2_1/m 2/b", "P 2/b 2_1/m 2/m", "P 2/c 2/m 2_1/m", "P 2/m 2/c 2_1/m", "P 2_1/m 2/a 2/m", "P 2/n 2_1/n 2/a", "P 2_1/n 2/n 2/b", "P 2/b 2/n 2_1/n", "P 2/c 2_1/n 2/n", "P 2_1/n 2/c 2/n", "P 2/n 2/a 2_1/n", "P 2/m 2/n 2_1/a", "P 2/n 2/m 2_1/b", "P 2_1/b 2/m 2/n", "P 2_1/c 2/n 2/m", "P 2/n 2_1/c 2/m", "P 2/m 2_1/a 2/n", "P 2_1/c 2/c 2/a", "P 2/c 2_1/c 2/b", "P 2/b 2_1/a 2/a", "P 2/c 2/a 2_1/a", "P 2/b 2/c 2_1/b", "P 2_1/b 2/a 2/b", "P 2_1/b 2_1/a 2/m", "P 2/m 2_1/c 2_1/b", "P 2_1/c 2/m 2_1/a", "P 2_1/c 2_1/c 2/n", "P 2/n 2_1/a 2_1/a", "P 2_1/b 2/n 2_1/b", "P 2/b 2_1/c 2_1/m", "P 2_1/c 2/a 2_1/m", "P 2_1/m 2/c 2_1/a", "P 2_1/m 2_1/a 2/b", "P 2_1/b 2_1/m 2/a", "P 2/c 2_1/m 2_1/b", "P 2_1/n 2_1/n 2/m", "P 2/m 2_1/n 2_1/n", "P 2_1/n 2/m 2_1/n", "P 2_1/m 2_1/m 2/n", "P 2_1/m 2_1/m 2/n", "P 2/n 2_1/m 2_1/m", "P 2/n 2_1/m 2_1/m", "P 2_1/m 2/n 2_1/m", "P 2_1/m 2/n 2_1/m", "P 2_1/b 2/c 2_1/n", "P 2/c 2_1/a 2_1/n", "P 2_1/n 2_1/c 2/a", "P 2_1/n 2/a 2_1/b", "P 2/b 2_1/n 2_1/a", "P 2_1/c 2_1/n 2/b", "P 2_1/b 2_1/c 2_1/a", "P 2_1/c 2_1/a 2_1/b", "P 2_1/n 2_1/m 2_1/a", "P 2_1/m 2_1/n 2_1/b", "P 2_1/b 2_1/n 2_1/m", "P 2_1/c 2_1/m 2_1/n", "P 2_1/m 2_1/c 2_1/n", "P 2_1/n 2_1/a 2_1/m", "C 2/m 2/c 2_1/m", "C 2/c 2/m 2_1/m", "A 2_1/m 2/m 2/a", "A 2_1/m 2/a 2/m", "B 2/b 2_1/m 2/m", "B 2/m 2_1/m 2/b", "C 2/m 2/c 2_1/e", "C 2/c 2/m 2_1/e", "A 2_1/e 2/m 2/a", "A 2_1/e 2/a 2/m", "B 2/b 2_1/e 2/m", "B 2/m 2_1/e 2/b", "C 2/m 2/m 2/m", "A 2/m 2/m 2/m", "B 2/m 2/m 2/m", "C 2/c 2/c 2/m", "A 2/m 2/a 2/a", "B 2/b 2/m 2/b", "C 2/m 2/m 2/e", "C 2/m 2/m 2/e", "A 2/e 2/m 2/m", "A 2/e 2/m 2/m", "B 2/m 2/e 2/m", "B 2/m 2/e 2/m", "C 2/c 2/c 2/e", "C 2/c 2/c 2/e", "C 2/c 2/c 2/e", "C 2/c 2/c 2/e", "A 2/e 2/a 2/a", "A 2/e 2/a 2/a", "A 2/e 2/a 2/a", "A 2/e 2/a 2/a", "B 2/b 2/e 2/b", "B 2/b 2/e 2/b", "B 2/b 2/e 2/b", "B 2/b 2/e 2/b", "F 2/m 2/m 2/m", "F 2/d 2/d 2/d", "F 2/d 2/d 2/d", "I 2/m 2/m 2/m", "I 2/b 2/a 2/m", "I 2/m 2/c 2/b", "I 2/c 2/m 2/a", "I 2/b 2/c 2/a", "I 2/c 2/a 2/b", "I 2/m 2/m 2/a", "I 2/m 2/m 2/b", "I 2/b 2/m 2/m", "I 2/c 2/m 2/m", "I 2/m 2/c 2/m", "I 2/m 2/a 2/m", "P 4", "P 4_1", "P 4_2", "P 4_3", "I 4", "I 4_1", "P -4", "I -4", "P 4/m", "P 4_2/m", "P 4/n", "P 4/n", "P 4_2/n", "P 4_2/n", "I 4/m", "I 4_1/a", "I 4_1/a", "P 4 2 2", "P 4 2_1 2", "P 4_1 2 2", "P 4_1 2_1 2", "P 4_2 2 2", "P 4_2 2_1 2", "P 4_3 2 2", "P 4_3 2_1 2", "I 4 2 2", "I 4_1 2 2", "P 4 m m", "P 4 b m", "P 4_2 c m", "P 4_2 n m", "P 4 c c", "P 4 n c", "P 4_2 m c", "P 4_2 b c", "I 4 m m", "I 4 c m", "I 4_1 m d", "I 4_1 c d", "P -4 2 m", "P -4 2 c", "P -4 2_1 m", "P -4 2_1 c", "P -4 m 2", "P -4 c 2", "P -4 b 2", "P -4 n 2", "I -4 m 2", "I -4 c 2", "I -4 2 m", "I -4 2 d", "P 4/m 2/m 2/m", "P 4/m 2/c 2/c", "P 4/n 2/b 2/m", "P 4/n 2/b 2/m", "P 4/n 2/n 2/c", "P 4/n 2/n 2/c", "P 4/m 2_1/b m", "P 4/m 2_1/n c", "P 4/n 2_1/m m", "P 4/n 2_1/m m", "P 4/n 2_1/c c", "P 4/n 2_1/c c", "P 4_2/m 2/m 2/c", "P 4_2/m 2/c 2/m", "P 4_2/n 2/b 2/c", "P 4_2/n 2/b 2/c", "P 4_2/n 2/n 2/m", "P 4_2/n 2/n 2/m", "P 4_2/m 2_1/b 2/c", "P 4_2/m 2_1/n 2/m", "P 4_2/n 2_1/m 2/c", "P 4_2/n 2_1/m 2/c", "P 4_2/n 2_1/c 2/m", "P 4_2/n 2_1/c 2/m", "I 4/m 2/m 2/m", "I 4/m 2/c 2/m", "I 4_1/a 2/m 2/d", "I 4_1/a 2/m 2/d", "I 4_1/a 2/c 2/d", "I 4_1/a 2/c 2/d", "P 3", "P 3_1", "P 3_2", "R 3", "R 3", "P -3", "R -3", "R -3", "P 3 1 2", "P 3 2 1", "P 3_1 1 2", "P 3_1 2 1", "P 3_2 1 2", "P 3_2 2 1", "R 3 2", "R 3 2", "P 3 m 1", "P 3 1 m", "P 3 c 1", "P 3 1 c", "R 3 m", "R 3 m", "R 3 c", "R 3 c", "P -3 1 2/m", "P -3 1 2/c", "P -3 2/m 1", "P -3 2/c 1", "R -3 2/m", "R -3 2/m", "R -3 2/c", "R -3 2/c", "P 6", "P 6_1", "P 6_5", "P 6_2", "P 6_4", "P 6_3", "P -6", "P 6/m", "P 6_3/m", "P 6 2 2", "P 6_1 2 2", "P 6_5 2 2", "P 6_2 2 2", "P 6_4 2 2", "P 6_3 2 2", "P 6 m m", "P 6 c c", "P 6_3 c m", "P 6_3 m c", "P -6 m 2", "P -6 c 2", "P -6 2 m", "P -6 2 c", "P 6/m 2/m 2/m", "P 6/m 2/c 2/c", "P 6_3/m 2/c 2/m", "P 6_3/m 2/m 2/c", "P 2 3", "F 2 3", "I 2 3", "P 2_1 3", "I 2_1 3", "P 2/m -3", "P 2/n -3", "P 2/n -3", "F 2/m -3", "F 2/d -3", "F 2/d -3", "I 2/m -3", "P 2_1/a -3", "I 2_1/a -3", "P 4 3 2", "P 4_2 3 2", "F 4 3 2", "F 4_1 3 2", "I 4 3 2", "P 4_3 3 2", "P 4_1 3 2", "I 4_1 3 2", "P -4 3 m", "F -4 3 m", "I -4 3 m", "P -4 3 n", "F -4 3 c", "I -4 3 d", "P 4/m -3 2/m", "P 4/n -3 2/n", "P 4/n -3 2/n", "P 4_2/m -3 2/n", "P 4_2/n -3 2/m", "P 4_2/n -3 2/m", "F 4/m -3 2/m", "F 4/m -3 2/c", "F 4_1/d -3 2/m", "F 4_1/d -3 2/m", "F 4_1/d -3 2/c", "F 4_1/d -3 2/c", "I 4/m -3 2/m", "I 4_1/a -3 2/d" }; const char* space_group_international_short[] = { "", "P1", "P-1", "P2", "P2", "P2", "P2_1", "P2_1", "P2_1", "C2", "C2", "C2", "C2", "C2", "C2", "C2", "C2", "C2", "Pm", "Pm", "Pm", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "P2/m", "P2/m", "P2/m", "P2_1/m", "P2_1/m", "P2_1/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "P222", "P222_1", "P2_122", "P22_12", "P2_12_12", "P22_12_1", "P2_122_1", "P2_12_12_1", "C222_1", "A2_122", "B22_12", "C222", "A222", "B222", "F222", "I222", "I2_12_12_1", "Pmm2", "P2mm", "Pm2m", "Pmc2_1", "Pcm2_1", "P2_1ma", "P2_1am", "Pb2_1m", "Pm2_1b", "Pcc2", "P2aa", "Pb2b", "Pma2", "Pbm2", "P2mb", "P2cm", "Pc2m", "Pm2a", "Pca2_1", "Pbc2_1", "P2_1ab", "P2_1ca", "Pc2_1b", "Pb2_1a", "Pnc2", "Pcn2", "P2na", "P2an", "Pb2n", "Pn2b", "Pmn2_1", "Pnm2_1", "P2_1mn", "P2_1nm", "Pn2_1m", "Pm2_1n", "Pba2", "P2cb", "Pc2a", "Pna2_1", "Pbn2_1", "P2_1nb", "P2_1cn", "Pc2_1n", "Pn2_1a", "Pnn2", "P2nn", "Pn2n", "Cmm2", "A2mm", "Bm2m", "Cmc2_1", "Ccm2_1", "A2_1ma", "A2_1am", "Bb2_1m", "Bm2_1b", "Ccc2", "A2aa", "Bb2b", "Amm2", "Bmm2", "B2mm", "C2mm", "Cm2m", "Am2m", "Aem2", "Bme2", "B2em", "C2me", "Cm2e", "Ae2m", "Ama2", "Bbm2", "B2mb", "C2cm", "Cc2m", "Am2a", "Aea2", "Bbe2", "B2eb", "C2ce", "Cc2e", "Ae2a", "Fmm2", "F2mm", "Fm2m", "Fdd2", "F2dd", "Fd2d", "Imm2", "I2mm", "Im2m", "Iba2", "I2cb", "Ic2a", "Ima2", "Ibm2", "I2mb", "I2cm", "Ic2m", "Im2a", "Pmmm", "Pnnn", "Pnnn", "Pccm", "Pmaa", "Pbmb", "Pban", "Pban", "Pncb", "Pncb", "Pcna", "Pcna", "Pmma", "Pmmb", "Pbmm", "Pcmm", "Pmcm", "Pmam", "Pnna", "Pnnb", "Pbnn", "Pcnn", "Pncn", "Pnan", "Pmna", "Pnmb", "Pbmn", "Pcnm", "Pncm", "Pman", "Pcca", "Pccb", "Pbaa", "Pcaa", "Pbcb", "Pbab", "Pbam", "Pmcb", "Pcma", "Pccn", "Pnaa", "Pbnb", "Pbcm", "Pcam", "Pmca", "Pmab", "Pbma", "Pcmb", "Pnnm", "Pmnn", "Pnmn", "Pmmn", "Pmmn", "Pnmm", "Pnmm", "Pmnm", "Pmnm", "Pbcn", "Pcan", "Pnca", "Pnab", "Pbna", "Pcnb", "Pbca", "Pcab", "Pnma", "Pmnb", "Pbnm", "Pcmn", "Pmcn", "Pnam", "Cmcm", "Ccmm", "Amma", "Amam", "Bbmm", "Bmmb", "Cmce", "Ccme", "Aema", "Aeam", "Bbem", "Bmeb", "Cmmm", "Ammm", "Bmmm", "Cccm", "Amaa", "Bbmb", "Cmme", "Cmme", "Aemm", "Aemm", "Bmem", "Bmem", "Ccce", "Ccce", "Ccce", "Ccce", "Aeaa", "Aeaa", "Aeaa", "Aeaa", "Bbeb", "Bbcb", "Bbeb", "Bbeb", "Fmmm", "Fddd", "Fddd", "Immm", "Ibam", "Imcb", "Icma", "Ibca", "Icab", "Imma", "Immb", "Ibmm", "Icmm", "Imcm", "Imam", "P4", "P4_1", "P4_2", "P4_3", "I4", "I4_1", "P-4", "I-4", "P4/m", "P4_2/m", "P4/n", "P4/n", "P4_2/n", "P4_2/n", "I4/m", "I4_1/a", "I4_1/a", "P422", "P42_12", "P4_122", "P4_12_12", "P4_222", "P4_22_12", "P4_322", "P4_32_12", "I422", "I4_122", "P4mm", "P4bm", "P4_2cm", "P4_2nm", "P4cc", "P4nc", "P4_2mc", "P4_2bc", "I4mm", "I4cm", "I4_1md", "I4_1cd", "P-42m", "P-42c", "P-42_1m", "P-42_1c", "P-4m2", "P-4c2", "P-4b2", "P-4n2", "I-4m2", "I-4c2", "I-42m", "I-42d", "P4/mmm", "P4/mcc", "P4/nbm", "P4/nbm", "P4/nnc", "P4/nnc", "P4/mbm", "P4/mnc", "P4/nmm", "P4/nmm", "P4/ncc", "P4/ncc", "P4_2/mmc", "P4_2/mcm", "P4_2/nbc", "P4_2/nbc", "P4_2/nnm", "P4_2/nnm", "P4_2/mbc", "P4_2/mnm", "P4_2/nmc", "P4_2/nmc", "P4_2/ncm", "P4_2/ncm", "I4/mmm", "I4/mcm", "I4_1/amd", "I4_1/amd", "I4_1/acd", "I4_1/acd", "P3", "P3_1", "P3_2", "R3", "R3", "P-3", "R-3", "R-3", "P312", "P321", "P3_112", "P3_121", "P3_212", "P3_221", "R32", "R32", "P3m1", "P31m", "P3c1", "P31c", "R3m", "R3m", "R3c", "R3c", "P-31m", "P-31c", "P-3m1", "P-3c1", "R-3m", "R-3m", "R-3c", "R-3c", "P6", "P6_1", "P6_5", "P6_2", "P6_4", "P6_3", "P-6", "P6/m", "P6_3/m", "P622", "P6_122", "P6_522", "P6_222", "P6_422", "P6_322", "P6mm", "P6cc", "P6_3cm", "P6_3mc", "P-6m2", "P-6c2", "P-62m", "P-62c", "P6/mmm", "P6/mcc", "P6_3/mcm", "P6_3/mmc", "P23", "F23", "I23", "P2_13", "I2_13", "Pm3", "Pn3", "Pn3", "Fm3", "Fd3", "Fd3", "Im3", "Pa3", "Ia3", "P432", "P4_232", "F432", "F4_132", "I432", "P4_332", "P4_132", "I4_132", "P-43m", "F-43m", "I-43m", "P-43n", "F-43c", "I-43d", "Pm-3m", "Pn-3n", "Pn-3n", "Pm-3n", "Pn-3m", "Pn-3m", "Fm-3m", "Fm-3c", "Fd-3m", "Fd-3m", "Fd-3c", "Fd-3c", "Im-3m", "Ia-3d" }; const char* space_group_setting[] = { "", "", "", "b", "c", "a", "b", "c", "a", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b", "c", "a", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "-b1", "-b2", "-b3", "c1", "c2", "c3", "-c1", "-c2", "-c3", "a1", "a2", "a3", "-a1", "-a2", "-a3", "b", "c", "a", "b", "c", "a", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "-b1", "-b2", "-b3", "c1", "c2", "c3", "-c1", "-c2", "-c3", "a1", "a2", "a3", "-a1", "-a2", "-a3", "", "", "cab", "bca", "", "cab", "bca", "", "", "cab", "bca", "", "cab", "bca", "", "", "", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "1", "2", "", "cab", "bca", "1", "2", "1cab", "2cab", "1bca", "2bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "1", "2", "1cab", "2cab", "1bca", "2bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "1", "2", "1ba-c", "2ba-c", "1cab", "2cab", "1-cba", "2-cba", "1bca", "2bca", "1a-cb", "2a-cb", "", "1", "2", "", "", "cab", "bca", "", "ba-c", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "", "", "", "", "", "", "", "", "", "1", "2", "1", "2", "", "1", "2", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "", "H", "R", "", "H", "R", "", "", "", "", "", "", "H", "R", "", "", "", "", "H", "R", "H", "R", "", "", "", "", "H", "R", "H", "R", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "1", "2", "", "1", "2", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "1", "2", "", "1", "2", "", "", "1", "2", "1", "2", "", "" }; const char* space_group_transforms[] = { "", "x,y,z", "x,y,z -x,-y,-z", "x,y,z -x,y,-z", "x,y,z -x,-y,z", "x,y,z x,-y,-z", "x,y,z -x,1/2+y,-z", "x,y,z -x,-y,1/2+z", "x,y,z 1/2+x,-y,-z", "x,y,z -x,y,-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z", "x,y,z -x,y,-z x,1/2+y,1/2+z -x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z", "x,y,z -x,-y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z", "x,y,z -x,-y,z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z", "x,y,z -x,-y,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z", "x,y,z x,-y,-z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z", "x,y,z x,-y,-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z", "x,y,z x,-y,-z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z", "x,y,z x,-y,z", "x,y,z x,y,-z", "x,y,z -x,y,z", "x,y,z x,-y,1/2+z", "x,y,z 1/2+x,-y,1/2+z", "x,y,z 1/2+x,-y,z", "x,y,z 1/2+x,y,-z", "x,y,z 1/2+x,1/2+y,-z", "x,y,z x,1/2+y,-z", "x,y,z -x,1/2+y,z", "x,y,z -x,1/2+y,1/2+z", "x,y,z -x,y,1/2+z", "x,y,z x,-y,z 1/2+x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z x,-y,z x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z x,-y,z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z x,y,-z x,1/2+y,1/2+z x,1/2+y,1/2-z", "x,y,z x,y,-z 1/2+x,y,1/2+z 1/2+x,y,1/2-z", "x,y,z x,y,-z 1/2+x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,y,z 1/2+x,y,1/2+z 1/2-x,y,1/2+z", "x,y,z -x,y,z 1/2+x,1/2+y,z 1/2-x,1/2+y,z", "x,y,z -x,y,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z x,-y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,1/2+z x,1/2+y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2+x,-y,z 1/2+x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,z x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,1/2+z 1/2+x,1/2+y,z x,1/2-y,1/2+z", "x,y,z x,-y,1/2+z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2+x,y,-z x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z x,1/2+y,1/2-z 1/2+x,y,1/2+z 1/2+x,1/2+y,-z", "x,y,z x,1/2+y,-z 1/2+x,1/2+y,1/2+z 1/2+x,y,1/2-z", "x,y,z x,1/2+y,-z 1/2+x,y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2+x,1/2+y,-z x,1/2+y,1/2+z 1/2+x,y,1/2-z", "x,y,z 1/2+x,y,-z 1/2+x,1/2+y,1/2+z x,1/2+y,1/2-z", "x,y,z -x,1/2+y,z 1/2+x,y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z -x,1/2+y,1/2+z 1/2+x,1/2+y,z 1/2-x,y,1/2+z", "x,y,z -x,y,1/2+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,y,1/2+z 1/2+x,1/2+y,z 1/2-x,1/2+y,1/2+z", "x,y,z -x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,1/2+y,z 1/2+x,1/2+y,1/2+z 1/2-x,y,1/2+z", "x,y,z -x,y,-z -x,-y,-z x,-y,z", "x,y,z -x,-y,z -x,-y,-z x,y,-z", "x,y,z x,-y,-z -x,-y,-z -x,y,z", "x,y,z -x,1/2+y,-z -x,-y,-z x,1/2-y,z", "x,y,z -x,-y,1/2+z -x,-y,-z x,y,1/2-z", "x,y,z 1/2+x,-y,-z -x,-y,-z 1/2-x,y,z", "x,y,z -x,y,-z -x,-y,-z x,-y,z " "1/2+x,1/2+y,z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,-z 1/2+x,1/2-y,z", "x,y,z -x,y,-z -x,-y,-z x,-y,z x,1/2+y,1/2+z -x,1/2+y,1/2-z -x,1/2-y,1/2-z " "x,1/2-y,1/2+z", "x,y,z -x,y,-z -x,-y,-z x,-y,z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2-z", "x,y,z -x,-y,z -x,-y,-z x,y,-z x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2-y,1/2-z " "x,1/2+y,1/2-z", "x,y,z -x,-y,z -x,-y,-z x,y,-z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,-y,1/2-z " "1/2+x,y,1/2-z", "x,y,z -x,-y,z -x,-y,-z x,y,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z", "x,y,z x,-y,-z -x,-y,-z -x,y,z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z 1/2-x,-y,1/2-z " "1/2-x,y,1/2+z", "x,y,z x,-y,-z -x,-y,-z -x,y,z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z " "1/2-x,1/2+y,z", "x,y,z x,-y,-z -x,-y,-z -x,y,z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,1/2+z", "x,y,z -x,y,1/2-z -x,-y,-z x,-y,1/2+z", "x,y,z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,-y,1/2+z", "x,y,z 1/2-x,y,-z -x,-y,-z 1/2+x,-y,z", "x,y,z 1/2-x,-y,z -x,-y,-z 1/2+x,y,-z", "x,y,z 1/2-x,1/2-y,z -x,-y,-z 1/2+x,1/2+y,-z", "x,y,z -x,1/2-y,z -x,-y,-z x,1/2+y,-z", "x,y,z x,1/2-y,-z -x,-y,-z -x,1/2+y,z", "x,y,z x,1/2-y,1/2-z -x,-y,-z -x,1/2+y,1/2+z", "x,y,z x,-y,1/2-z -x,-y,-z -x,y,1/2+z", "x,y,z -x,1/2+y,1/2-z -x,-y,-z x,1/2-y,1/2+z", "x,y,z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,1/2+z -x,-y,-z 1/2+x,y,1/2-z", "x,y,z 1/2-x,1/2-y,1/2+z -x,-y,-z 1/2+x,1/2+y,1/2-z", "x,y,z -x,1/2-y,1/2+z -x,-y,-z x,1/2+y,1/2-z", "x,y,z 1/2+x,1/2-y,-z -x,-y,-z 1/2-x,1/2+y,z", "x,y,z 1/2+x,1/2-y,1/2-z -x,-y,-z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2+x,-y,1/2-z -x,-y,-z 1/2-x,y,1/2+z", "x,y,z -x,y,1/2-z -x,-y,-z x,-y,1/2+z 1/2+x,1/2+y,z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,-y,1/2+z x,1/2+y,1/2+z 1/2-x,1/2+y,-z " "-x,1/2-y,1/2-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,y,-z -x,-y,-z 1/2+x,-y,z 1/2+x,1/2+y,1/2+z -x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z x,1/2-y,1/2+z", "x,y,z 1/2-x,y,-z -x,-y,-z 1/2+x,-y,z x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,-y,1/2+z 1/2+x,1/2+y,z -x,1/2+y,1/2-z " "1/2-x,1/2-y,-z x,1/2-y,1/2+z", "x,y,z -x,y,1/2-z -x,-y,-z x,-y,1/2+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,z -x,-y,-z 1/2+x,y,-z x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2-x,1/2-y,z -x,-y,-z 1/2+x,1/2+y,-z 1/2+x,y,1/2+z -x,1/2-y,1/2+z " "1/2-x,-y,1/2-z x,1/2+y,1/2-z", "x,y,z -x,1/2-y,z -x,-y,-z x,1/2+y,-z 1/2+x,1/2+y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,1/2-y,1/2-z 1/2+x,y,1/2-z", "x,y,z -x,1/2-y,z -x,-y,-z x,1/2+y,-z 1/2+x,y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,-y,1/2-z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2-x,1/2-y,z -x,-y,-z 1/2+x,1/2+y,-z x,1/2+y,1/2+z 1/2-x,-y,1/2+z " "-x,1/2-y,1/2-z 1/2+x,y,1/2-z", "x,y,z 1/2-x,-y,z -x,-y,-z 1/2+x,y,-z 1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z", "x,y,z x,1/2-y,-z -x,-y,-z -x,1/2+y,z 1/2+x,y,1/2+z 1/2+x,1/2-y,1/2-z " "1/2-x,-y,1/2-z 1/2-x,1/2+y,1/2+z", "x,y,z x,1/2-y,1/2-z -x,-y,-z -x,1/2+y,1/2+z 1/2+x,1/2+y,z 1/2+x,-y,1/2-z " "1/2-x,1/2-y,-z 1/2-x,y,1/2+z", "x,y,z x,-y,1/2-z -x,-y,-z -x,y,1/2+z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,-z " "1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,z", "x,y,z x,-y,1/2-z -x,-y,-z -x,y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,-z 1/2-x,1/2+y,1/2+z", "x,y,z x,1/2-y,1/2-z -x,-y,-z -x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2-y,-z " "1/2-x,-y,1/2-z 1/2-x,1/2+y,z", "x,y,z x,1/2-y,-z -x,-y,-z -x,1/2+y,z 1/2+x,1/2+y,1/2+z 1/2+x,-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2-x,y,1/2+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z", "x,y,z -x,-y,1/2+z -x,y,1/2-z x,-y,-z", "x,y,z 1/2+x,-y,-z 1/2-x,-y,z -x,y,-z", "x,y,z -x,1/2+y,-z x,1/2-y,-z -x,-y,z", "x,y,z -x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z", "x,y,z x,-y,-z -x,1/2-y,1/2+z -x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,-y,1/2-z 1/2-x,-y,1/2+z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z", "x,y,z -x,-y,1/2+z -x,y,1/2-z x,-y,-z 1/2+x,1/2+y,z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,-z", "x,y,z 1/2+x,-y,-z 1/2-x,-y,z -x,y,-z x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z " 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1/2+x,-y,1/2-z 1/2+x,y,-z " "1/2+x,-y,z", "x,y,z x,-y,-z x,1/2-y,z x,1/2+y,-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z 1/2+x,-y,z " "1/2+x,y,-z", "x,y,z -x,y,-z 1/2-x,y,z 1/2+x,y,-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z -x,1/2+y,z " "x,1/2+y,-z", "x,y,z -x,y,-z x,y,1/2-z -x,y,1/2+z x,1/2+y,1/2+z -x,1/2+y,1/2-z x,1/2+y,-z " "-x,1/2+y,z", "x,y,z -x,-y,z 1/2+x,-y,z 1/2-x,y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z -x,-y,z -x,1/2+y,z x,1/2-y,z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z x,-y,-z x,1/2+y,-z x,1/2-y,z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z " "1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z x,-y,-z x,-y,1/2+z x,y,1/2-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z " "1/2+x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,y,-z -x,y,1/2+z x,y,1/2-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z " "1/2-x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,y,-z 1/2-x,y,z x,1/2+y,1/2+z -x,1/2+y,1/2-z " "1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z", "x,y,z -x,-y,z 1/2+x,1/2-y,z 1/2-x,1/2+y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z " "1/2+x,-y,1/2+z 1/2-x,y,1/2+z", "x,y,z -x,-y,z 1/2-x,1/2+y,z 1/2+x,1/2-y,z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "-x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z x,-y,-z x,1/2+y,1/2-z x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z " "1/2+x,1/2+y,-z 1/2+x,1/2-y,z", "x,y,z x,-y,-z x,1/2-y,1/2+z x,1/2+y,1/2-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z " "1/2+x,-y,1/2+z 1/2+x,y,1/2-z", "x,y,z -x,y,-z 1/2-x,y,1/2+z 1/2+x,y,1/2-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z " "-x,1/2+y,1/2+z x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z x,1/2+y,1/2+z -x,1/2+y,1/2-z " "1/2+x,1/2+y,-z 1/2-x,1/2+y,z", "x,y,z -x,-y,z x,-y,z -x,y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2+z " "-x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2+x,1/2-y,z 1/2-x,1/2+y,z", "x,y,z x,-y,-z x,y,-z x,-y,z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z 1/2+x,y,1/2-z " "1/2+x,-y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,z " "x,1/2+y,1/2+z x,1/2-y,1/2-z x,1/2+y,1/2-z x,1/2-y,1/2+z", "x,y,z -x,y,-z -x,y,z x,y,-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z 1/2-x,1/2+y,z " "1/2+x,1/2+y,-z x,1/2+y,1/2+z -x,1/2+y,1/2-z -x,1/2+y,1/2+z x,1/2+y,1/2-z " "1/2+x,y,1/2+z 1/2-x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,y,1/2-z", "x,y,z -x,-y,z 1/4+x,1/4-y,1/4+z 1/4-x,1/4+y,1/4+z 1/2+x,y,1/2+z " "1/2-x,-y,1/2+z 3/4+x,1/4-y,3/4+z 3/4-x,1/4+y,3/4+z x,1/2+y,1/2+z " "-x,1/2-y,1/2+z 1/4+x,3/4-y,3/4+z 1/4-x,3/4+y,3/4+z 1/2+x,1/2+y,z " "1/2-x,1/2-y,z 3/4+x,3/4-y,1/4+z 3/4-x,3/4+y,1/4+z", "x,y,z x,-y,-z 1/4+x,1/4+y,1/4-z 1/4+x,1/4-y,1/4+z 1/2+x,1/2+y,z " "1/2+x,1/2-y,-z 3/4+x,3/4+y,1/4-z 3/4+x,3/4-y,1/4+z 1/2+x,y,1/2+z " "1/2+x,-y,1/2-z 3/4+x,1/4+y,3/4-z 3/4+x,1/4-y,3/4+z x,1/2+y,1/2+z " "x,1/2-y,1/2-z 1/4+x,3/4+y,3/4-z 1/4+x,3/4-y,3/4+z", "x,y,z -x,y,-z 1/4-x,1/4+y,1/4+z 1/4+x,1/4+y,1/4-z x,1/2+y,1/2+z " "-x,1/2+y,1/2-z 1/4-x,3/4+y,3/4+z 1/4+x,3/4+y,3/4-z 1/2+x,1/2+y,z " "1/2-x,1/2+y,-z 3/4-x,3/4+y,1/4+z 3/4+x,3/4+y,1/4-z 1/2+x,y,1/2+z " "1/2-x,y,1/2-z 3/4-x,1/4+y,3/4+z 3/4+x,1/4+y,3/4-z", "x,y,z 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1/2+x,1/2-y,1/2-z " "1/2+x,1/2-y,z 1/2+x,1/2+y,-z", "x,y,z -x,y,-z -x,y,1/2+z x,y,1/2-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2+y,z 1/2+x,1/2+y,-z", "x,y,z -x,y,-z 1/2+x,y,-z 1/2-x,y,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z " "x,1/2+y,1/2-z -x,1/2+y,1/2+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z", "x,y,z -x,-y,z -x,y,-z x,-y,-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z -x,-y,-z 1/2+x,1/2+y,-z " "1/2+x,-y,1/2+z -x,1/2+y,1/2+z", "x,y,z -x,-y,z -x,y,1/2-z x,-y,1/2-z -x,-y,-z x,y,-z x,-y,1/2+z -x,y,1/2+z", "x,y,z x,-y,-z 1/2-x,-y,z 1/2-x,y,-z -x,-y,-z -x,y,z 1/2+x,y,-z 1/2+x,-y,z", "x,y,z -x,y,-z x,1/2-y,-z -x,1/2-y,z -x,-y,-z x,-y,z -x,1/2+y,z x,1/2+y,-z", "x,y,z -x,-y,z -x,y,-z x,-y,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,z " "1/2-x,1/2+y,z", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,-z x,1/2-y,-z -x,-y,-z 1/2+x,1/2+y,-z " "1/2+x,-y,z -x,1/2+y,z", "x,y,z -x,1/2+y,1/2+z x,1/2-y,1/2+z x,1/2+y,1/2-z -x,1/2-y,1/2-z x,-y,-z " "-x,y,-z -x,-y,z", "x,y,z -x,1/2+y,1/2+z x,-y,1/2+z x,1/2+y,-z x,1/2-y,1/2-z -x,-y,-z " "-x,y,1/2-z -x,1/2-y,z", "x,y,z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z 1/2+x,y,1/2-z 1/2-x,-y,1/2-z x,-y,-z " "-x,y,-z -x,-y,z", "x,y,z -x,y,1/2+z 1/2+x,-y,1/2+z 1/2+x,y,-z x,-y,1/2-z -x,-y,-z " "1/2-x,y,1/2-z 1/2-x,-y,z", "x,y,z 1/2-x,-y,z -x,y,-z 1/2+x,-y,-z -x,-y,-z 1/2+x,y,-z x,-y,z 1/2-x,y,z", "x,y,z -x,1/2-y,z x,-y,-z -x,1/2+y,-z -x,-y,-z x,1/2+y,-z -x,y,z x,1/2-y,z", "x,y,z x,1/2-y,-z -x,-y,z -x,1/2+y,-z -x,-y,-z -x,1/2+y,z x,y,-z x,1/2-y,z", "x,y,z x,-y,1/2-z -x,y,-z -x,-y,1/2+z -x,-y,-z -x,y,1/2+z x,-y,z x,y,1/2-z", "x,y,z -x,y,1/2-z x,-y,-z -x,-y,1/2+z -x,-y,-z x,-y,1/2+z -x,y,z x,y,1/2-z", "x,y,z 1/2-x,y,-z -x,-y,z 1/2+x,-y,-z -x,-y,-z 1/2+x,-y,z x,y,-z 1/2-x,y,z", "x,y,z 1/2-x,-y,z 1/2-x,1/2+y,1/2-z x,1/2-y,1/2-z -x,-y,-z 1/2+x,y,-z " "1/2+x,1/2-y,1/2+z -x,1/2+y,1/2+z", "x,y,z -x,1/2-y,z 1/2+x,1/2-y,1/2-z 1/2-x,y,1/2-z -x,-y,-z x,1/2+y,-z " "1/2-x,1/2+y,1/2+z 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"1/2+x,1/2+y,-z -x,y,z", "x,y,z 1/2-x,-y,z -x,y,1/2-z 1/2+x,-y,1/2-z -x,-y,-z 1/2+x,y,-z x,-y,1/2+z " "1/2-x,y,1/2+z", "x,y,z -x,1/2-y,z x,-y,1/2-z -x,1/2+y,1/2-z -x,-y,-z x,1/2+y,-z -x,y,1/2+z " "x,1/2-y,1/2+z", "x,y,z x,1/2-y,-z 1/2-x,-y,z 1/2-x,1/2+y,-z -x,-y,-z -x,1/2+y,z 1/2+x,y,-z " "1/2+x,1/2-y,z", "x,y,z x,-y,1/2-z 1/2-x,y,-z 1/2-x,-y,1/2+z -x,-y,-z -x,y,1/2+z 1/2+x,-y,z " "1/2+x,y,1/2-z", "x,y,z -x,y,1/2-z x,1/2-y,-z -x,1/2-y,1/2+z -x,-y,-z x,-y,1/2+z -x,1/2+y,z " "x,1/2+y,1/2-z", "x,y,z 1/2-x,y,-z -x,1/2-y,z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,-y,z x,1/2+y,-z " "1/2-x,1/2+y,z", "x,y,z -x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z -x,-y,-z x,y,-z 1/2+x,1/2-y,z " "1/2-x,1/2+y,z", "x,y,z x,-y,-z -x,1/2-y,1/2+z -x,1/2+y,1/2-z -x,-y,-z -x,y,z x,1/2+y,1/2-z " "x,1/2-y,1/2+z", "x,y,z -x,y,-z 1/2+x,-y,1/2-z 1/2-x,-y,1/2+z -x,-y,-z x,-y,z 1/2-x,y,1/2+z " "1/2+x,y,1/2-z", "x,y,z 1/2-x,1/2-y,z -x,1/2+y,1/2-z 1/2+x,-y,1/2-z -x,-y,-z 1/2+x,1/2+y,-z " "x,1/2-y,1/2+z 1/2-x,y,1/2+z", "x,y,z x,1/2-y,1/2-z 1/2-x,-y,1/2+z 1/2-x,1/2+y,-z -x,-y,-z -x,1/2+y,1/2+z " "1/2+x,y,1/2-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,y,1/2-z 1/2+x,1/2-y,-z -x,1/2-y,1/2+z -x,-y,-z 1/2+x,-y,1/2+z " "1/2-x,1/2+y,z x,1/2+y,1/2-z", "x,y,z -x,-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,-z -x,-y,-z x,y,1/2-z " "x,1/2-y,1/2+z -x,1/2+y,z", "x,y,z -x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,-z -x,-y,-z x,y,1/2-z " "1/2-x,y,1/2+z 1/2+x,-y,z", "x,y,z 1/2+x,-y,-z 1/2-x,-y,1/2+z -x,y,1/2-z -x,-y,-z 1/2-x,y,z " "1/2+x,y,1/2-z x,-y,1/2+z", "x,y,z 1/2+x,-y,-z 1/2-x,1/2+y,-z -x,1/2-y,z -x,-y,-z 1/2-x,y,z " "1/2+x,1/2-y,z x,1/2+y,-z", "x,y,z -x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,-y,z -x,-y,-z x,1/2-y,z " "1/2-x,1/2+y,z 1/2+x,y,-z", "x,y,z -x,1/2+y,-z -x,1/2-y,1/2+z x,-y,1/2-z -x,-y,-z x,1/2-y,z " "x,1/2+y,1/2-z -x,y,1/2+z", "x,y,z -x,-y,z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z -x,-y,-z x,y,-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z x,-y,-z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z -x,-y,-z -x,y,z " "1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z -x,y,-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2-y,1/2+z -x,-y,-z x,-y,z " "1/2-x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "x,-y,z -x,y,z", "x,y,z 1/2-x,1/2-y,z -x,1/2+y,-z 1/2+x,-y,-z -x,-y,-z 1/2+x,1/2+y,-z " "x,1/2-y,z 1/2-x,y,z", "x,y,z -x,1/2+y,1/2+z x,-y,z x,y,-z -x,1/2-y,1/2-z x,-y,-z -x,1/2+y,1/2-z " "-x,1/2-y,1/2+z", "x,y,z -x,1/2+y,1/2+z x,1/2-y,z x,y,1/2-z -x,-y,-z x,1/2-y,1/2-z -x,1/2+y,-z " "-x,-y,1/2+z", "x,y,z -x,y,z 1/2+x,-y,1/2+z x,y,-z 1/2-x,-y,1/2-z 1/2+x,-y,1/2-z -x,y,-z " "1/2-x,-y,1/2+z", "x,y,z 1/2-x,y,z 1/2+x,-y,1/2+z x,y,1/2-z -x,-y,-z 1/2+x,-y,-z 1/2-x,y,1/2-z " "-x,-y,1/2+z", "x,y,z 1/2-x,1/2-y,1/2+z -x,y,1/2-z 1/2+x,1/2-y,-z -x,-y,-z " "1/2+x,1/2+y,1/2-z x,-y,1/2+z 1/2-x,1/2+y,z", "x,y,z 1/2-x,1/2-y,1/2+z x,-y,1/2-z 1/2-x,1/2+y,-z -x,-y,-z " "1/2+x,1/2+y,1/2-z -x,y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2+x,1/2-y,1/2-z 1/2-x,-y,z -x,1/2+y,1/2-z -x,-y,-z " "1/2-x,1/2+y,1/2+z 1/2+x,y,-z x,1/2-y,1/2+z", "x,y,z 1/2+x,1/2-y,1/2-z 1/2-x,y,-z -x,1/2-y,1/2+z -x,-y,-z " "1/2-x,1/2+y,1/2+z 1/2+x,-y,z x,1/2+y,1/2-z", "x,y,z 1/2-x,1/2+y,1/2-z x,1/2-y,-z 1/2-x,-y,1/2+z -x,-y,-z " "1/2+x,1/2-y,1/2+z -x,1/2+y,z 1/2+x,y,1/2-z", "x,y,z 1/2-x,1/2+y,1/2-z -x,1/2-y,z 1/2+x,-y,1/2-z -x,-y,-z " "1/2+x,1/2-y,1/2+z x,1/2+y,-z 1/2-x,y,1/2+z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,y,1/2-z " "x,1/2-y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,1/2-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z -x,-y,-z x,1/2+y,1/2-z " "1/2-x,y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,-z 1/2+x,1/2-y,1/2-z -x,-y,-z 1/2+x,y,1/2-z " "x,1/2-y,z 1/2-x,1/2+y,1/2+z", "x,y,z -x,1/2-y,1/2+z 1/2+x,-y,-z 1/2-x,1/2+y,1/2-z -x,-y,-z x,1/2+y,1/2-z " "1/2-x,y,z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,1/2-y,-z -x,-y,1/2+z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2-x,1/2+y,z " "x,y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,1/2-z -x,1/2+y,-z 1/2-x,1/2-y,1/2+z -x,-y,-z 1/2-x,y,1/2+z " "x,1/2-y,z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2-x,y,z x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z -x,-y,-z 1/2+x,-y,-z " "-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z", "x,y,z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,z x,y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2+y,-z -x,-y,1/2+z", "x,y,z -x,-y,1/2+z -x,y,1/2-z x,-y,-z -x,-y,-z x,y,1/2-z x,-y,1/2+z -x,y,z " "1/2+x,1/2+y,z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,y,1/2+z x,-y,z x,y,1/2-z -x,-y,-z x,-y,1/2-z -x,y,-z -x,-y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,-z 1/2-x,1/2-y,1/2+z", "x,y,z 1/2-x,y,z x,-y,z 1/2+x,-y,-z -x,-y,-z 1/2+x,y,-z -x,y,-z 1/2-x,-y,z " "x,1/2+y,1/2+z 1/2-x,1/2+y,1/2+z x,1/2-y,1/2+z 1/2+x,1/2-y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z", "x,y,z 1/2-x,y,z 1/2+x,-y,z x,y,-z -x,-y,-z 1/2+x,-y,-z 1/2-x,y,-z -x,-y,z " "x,1/2+y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z x,1/2+y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z -x,1/2-y,1/2+z", "x,y,z -x,1/2+y,z x,1/2-y,z x,y,-z -x,-y,-z x,1/2-y,-z -x,1/2+y,-z -x,-y,z " "1/2+x,y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z 1/2+x,y,1/2-z " "1/2-x,-y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2-x,-y,1/2+z", "x,y,z -x,y,z x,1/2-y,z x,1/2+y,-z -x,-y,-z x,-y,-z -x,1/2+y,-z -x,1/2-y,z " "1/2+x,y,1/2+z 1/2-x,y,1/2+z 1/2+x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z " "1/2-x,-y,1/2-z 1/2+x,-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z", "x,y,z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,-y,-z -x,-y,-z x,1/2+y,1/2-z " "x,1/2-y,1/2+z -x,y,z 1/2+x,1/2+y,z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,1/2-y,-z 1/2-x,1/2-y,-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,1/2+y,1/2+z x,-y,z x,1/2+y,1/2-z -x,-y,-z x,1/2-y,1/2-z -x,y,-z " "-x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,y,1/2+z 1/2+x,1/2-y,z 1/2+x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z 1/2-x,-y,1/2+z", "x,y,z 1/2-x,1/2+y,z x,-y,z 1/2+x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,-z -x,y,-z " "1/2-x,1/2-y,z x,1/2+y,1/2+z 1/2-x,y,1/2+z x,1/2-y,1/2+z 1/2+x,y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,-y,1/2-z -x,1/2+y,1/2-z 1/2-x,-y,1/2+z", "x,y,z 1/2-x,1/2+y,z 1/2+x,1/2-y,z x,y,-z -x,-y,-z 1/2+x,1/2-y,-z " "1/2-x,1/2+y,-z -x,-y,z x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z " "x,1/2+y,1/2-z -x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z -x,1/2-y,1/2+z", "x,y,z -x,1/2+y,1/2+z x,1/2-y,1/2+z x,y,-z -x,-y,-z x,1/2-y,1/2-z " "-x,1/2+y,1/2-z -x,-y,z 1/2+x,y,1/2+z 1/2-x,1/2+y,z 1/2+x,1/2-y,z " "1/2+x,y,1/2-z 1/2-x,-y,1/2-z 1/2+x,1/2-y,-z 1/2-x,1/2+y,-z 1/2-x,-y,1/2+z", "x,y,z -x,y,z x,1/2-y,1/2+z x,1/2+y,1/2-z -x,-y,-z x,-y,-z -x,1/2+y,1/2-z " "-x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2-x,y,1/2+z 1/2+x,1/2-y,z 1/2+x,1/2+y,-z " "1/2-x,-y,1/2-z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z 1/2-x,1/2-y,z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z 1/2+x,1/2+y,z " "1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z x,1/2+y,1/2+z " "-x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z -x,1/2-y,1/2-z x,1/2+y,1/2-z " "-x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z 1/2+x,y,1/2+z " "1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z " "1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,-y,z -x,y,1/2-z x,-y,1/2-z -x,-y,-z x,y,-z x,-y,1/2+z -x,y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2-x,-y,z x,-y,-z 1/2-x,y,-z -x,-y,-z 1/2+x,y,-z -x,y,z 1/2+x,-y,z " "x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z -x,1/2-y,z x,1/2-y,-z -x,y,-z -x,-y,-z x,1/2+y,-z -x,1/2+y,z x,-y,z " "1/2+x,y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,1/2-y,z -x,1/2+y,-z x,-y,-z -x,-y,-z x,1/2+y,-z x,1/2-y,z -x,y,z " "1/2+x,1/2+y,z 1/2-x,-y,z 1/2-x,y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z " "1/2+x,y,-z 1/2+x,-y,z 1/2-x,1/2+y,z", "x,y,z -x,1/2-y,z x,1/2-y,-z -x,y,-z -x,-y,-z x,1/2+y,-z -x,1/2+y,z x,-y,z " "1/2+x,1/2+y,z 1/2-x,-y,z 1/2+x,-y,-z 1/2-x,1/2+y,-z 1/2-x,1/2-y,-z " "1/2+x,y,-z 1/2-x,y,z 1/2+x,1/2-y,z", "x,y,z -x,-y,1/2+z x,-y,1/2-z -x,y,-z -x,-y,-z x,y,1/2-z -x,y,1/2+z x,-y,z " "x,1/2+y,1/2+z -x,1/2-y,z x,1/2-y,-z -x,1/2+y,1/2-z -x,1/2-y,1/2-z " "x,1/2+y,-z -x,1/2+y,z x,1/2-y,1/2+z", "x,y,z -x,-y,z x,-y,1/2-z -x,y,1/2-z -x,-y,-z x,y,-z -x,y,1/2+z x,-y,1/2+z " "x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,-z -x,1/2+y,-z -x,1/2-y,1/2-z " "x,1/2+y,1/2-z -x,1/2+y,z x,1/2-y,z", "x,y,z -x,-y,z x,-y,1/2-z -x,y,1/2-z -x,-y,-z x,y,-z -x,y,1/2+z x,-y,1/2+z " "1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,-z 1/2-x,y,-z 1/2-x,-y,1/2-z " "1/2+x,y,1/2-z 1/2-x,y,z 1/2+x,-y,z", "x,y,z -x,-y,1/2+z x,-y,-z -x,y,1/2-z -x,-y,-z x,y,1/2-z -x,y,z x,-y,1/2+z " "1/2+x,y,1/2+z 1/2-x,-y,z 1/2+x,-y,1/2-z 1/2-x,y,-z 1/2-x,-y,1/2-z " "1/2+x,y,-z 1/2-x,y,1/2+z 1/2+x,-y,z", "x,y,z -x,1/2-y,1/2-z -x,-y,z x,-y,-z -x,y,-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,-y,1/2-z 1/2-x,1/2-y,z 1/2+x,1/2-y,-z " "1/2-x,1/2+y,-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z 1/2-x,-y,z -x,y,1/2-z 1/2+x,-y,1/2-z -x,-y,-z 1/2+x,y,-z x,-y,1/2+z " "1/2-x,y,1/2+z 1/2+x,1/2+y,z -x,1/2-y,z 1/2-x,1/2+y,1/2-z x,1/2-y,1/2-z " "1/2-x,1/2-y,-z x,1/2+y,-z 1/2+x,1/2-y,1/2+z -x,1/2+y,1/2+z", "x,y,z -x,1/2-y,1/2-z -x,-y,z x,-y,-z -x,y,-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,-y,1/2-z 1/2-x,1/2-y,z 1/2+x,1/2-y,-z " "1/2-x,1/2+y,-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,1/2-y,z x,-y,1/2-z -x,1/2+y,1/2-z -x,-y,-z x,1/2+y,-z -x,y,1/2+z " "x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,-y,z 1/2+x,1/2-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,y,-z 1/2-x,1/2+y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,-y,z x,-y,-z -x,y,-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z " "1/2+x,-y,1/2+z x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,z x,-y,1/2-z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,y,-z -x,y,1/2+z " "1/2+x,-y,1/2+z x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z x,1/2-y,-z 1/2-x,1/2+y,-z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z -x,-y,z x,-y,-z -x,y,-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z " "1/2+x,-y,1/2+z x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,1/2+z x,-y,1/2-z 1/2-x,y,-z -x,-y,-z 1/2+x,y,1/2-z " "-x,y,1/2+z 1/2+x,-y,z x,1/2+y,1/2+z 1/2-x,1/2-y,z x,1/2-y,-z " "1/2-x,1/2+y,1/2-z -x,1/2-y,1/2-z 1/2+x,1/2+y,-z -x,1/2+y,z " "1/2+x,1/2-y,1/2+z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,1/2-y,1/2-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z -x,1/2-y,1/2+z x,1/2-y,-z -x,y,1/2-z -x,-y,-z x,1/2+y,1/2-z " "-x,1/2+y,z x,-y,1/2+z 1/2+x,y,1/2+z 1/2-x,1/2-y,z 1/2+x,1/2-y,1/2-z " "1/2-x,y,-z 1/2-x,-y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,1/2+z 1/2+x,-y,z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,1/2-y,1/2-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z -x,1/2-y,z x,1/2-y,1/2-z -x,y,1/2-z -x,-y,-z x,1/2+y,-z " "-x,1/2+y,1/2+z x,-y,1/2+z 1/2+x,y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,-z " "1/2-x,y,-z 1/2-x,-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,z 1/2+x,-y,z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z x,1/2+y,1/2+z " "-x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z -x,1/2-y,1/2-z x,1/2+y,1/2-z " "x,1/2-y,1/2+z -x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,-y,1/2-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z " "1/2+x,1/2+y,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z", "x,y,z -x,y,-z 1/4-x,1/4-y,1/4-z 1/4+x,1/4-y,1/4+z x,-y,-z -x,-y,z " "1/4-x,1/4+y,1/4+z 1/4+x,1/4+y,1/4-z x,1/2+y,1/2+z 1/2+x,y,1/2+z " "1/2+x,1/2+y,z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z 1/4-x,3/4-y,3/4-z " "3/4-x,1/4-y,3/4-z 3/4-x,3/4-y,1/4-z 1/4+x,3/4-y,3/4+z 3/4+x,1/4-y,3/4+z " "3/4+x,3/4-y,1/4+z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z " "-x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z 1/4-x,3/4+y,3/4+z " "3/4-x,1/4+y,3/4+z 3/4-x,3/4+y,1/4+z 1/4+x,3/4+y,3/4-z 3/4+x,1/4+y,3/4-z " "3/4+x,3/4+y,1/4-z", "x,y,z 1/4-x,1/4-y,z x,1/4-y,1/4-z 1/4-x,y,1/4-z -x,-y,-z 3/4+x,3/4+y,-z " "-x,3/4+y,3/4+z 3/4+x,-y,3/4+z x,1/2+y,1/2+z 1/4-x,3/4-y,1/2+z x,3/4-y,3/4-z " "1/4-x,1/2+y,3/4-z -x,1/2-y,1/2-z 3/4+x,1/4+y,1/2-z -x,1/4+y,1/4+z " "3/4+x,1/2-y,1/4+z 1/2+x,y,1/2+z 3/4-x,1/4-y,1/2+z 1/2+x,1/4-y,3/4-z " "3/4-x,y,3/4-z 1/2-x,-y,1/2-z 1/4+x,3/4+y,1/2-z 1/2-x,3/4+y,1/4+z " "1/4+x,-y,1/4+z 1/2+x,1/2+y,z 3/4-x,3/4-y,z 1/2+x,3/4-y,1/4-z " "3/4-x,1/2+y,1/4-z 1/2-x,1/2-y,-z 1/4+x,1/4+y,-z 1/2-x,1/4+y,3/4+z " "1/4+x,1/2-y,3/4+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z -x,-y,z x,-y,1/2-z -x,y,1/2-z -x,-y,-z x,y,-z -x,y,1/2+z x,-y,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,-z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,z x,-y,-z 1/2-x,y,-z -x,-y,-z 1/2+x,y,-z -x,y,z 1/2+x,-y,z " "1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z 1/2+x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z -x,1/2-y,z x,1/2-y,-z -x,y,-z -x,-y,-z x,1/2+y,-z -x,1/2+y,z x,-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,y,1/2-z " "x,1/2-y,1/2+z 1/2-x,1/2+y,z 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z " "x,-y,1/2-z 1/2-x,1/2-y,1/2-z x,1/2+y,-z 1/2+x,-y,z -x,y,1/2+z", "x,y,z 1/2-x,-y,z x,1/2-y,-z -x,y,1/2-z -x,-y,-z 1/2+x,y,-z -x,1/2+y,z " "x,-y,1/2+z 1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z 1/2-x,y,1/2+z 1/2+x,1/2-y,z", "x,y,z -x,1/2-y,z -x,1/2+y,-z x,-y,-z -x,-y,-z x,1/2+y,-z x,1/2-y,z -x,y,z " "1/2+x,1/2+y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2-x,-y,z 1/2+x,-y,-z -x,y,-z -x,-y,-z 1/2+x,y,-z 1/2-x,y,z x,-y,z " "1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z -x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z -x,-y,1/2+z x,-y,1/2-z -x,y,-z -x,-y,-z x,y,1/2-z -x,y,1/2+z x,-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,z 1/2+x,1/2-y,-z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,1/2+z", "x,y,z -x,-y,z x,1/2-y,-z -x,1/2+y,-z -x,-y,-z x,y,-z -x,1/2+y,z x,1/2-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,-y,z 1/2+x,-y,-z 1/2-x,y,-z -x,-y,-z x,y,-z 1/2-x,y,z 1/2+x,-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z -x,-y,1/2+z x,-y,-z -x,y,1/2-z -x,-y,-z x,y,1/2-z -x,y,z x,-y,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,z", "x,y,z -x,-y,z -y,x,z y,-x,z", "x,y,z -x,-y,1/2+z -y,x,1/4+z y,-x,3/4+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z", "x,y,z -x,-y,1/2+z -y,x,3/4+z y,-x,1/4+z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2+x,1/2+y,1/2+z " "-x,-y,z 1/2-y,x,3/4+z y,1/2-x,1/4+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,-y,-z x,y,-z y,-x,-z -y,x,-z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "y,-x,-z -y,x,-z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z " "-y,1/2+x,-z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2-y,1/2-z " "1/2+x,1/2+y,1/2-z y,-x,-z -y,x,-z", "x,y,z 1/2-x,1/2-y,z -y,1/2+x,1/2+z 1/2+y,-x,1/2+z -x,-y,-z 1/2+x,1/2+y,-z " "y,1/2-x,1/2-z 1/2-y,x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,-y,-z x,y,-z y,-x,-z -y,x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z -x,1/2-y,1/4-z " "1/2+x,y,3/4-z y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z 1/2-x,-y,3/4-z x,1/2+y,1/4-z 1/2+y,1/2-x,1/2-z " "-y,x,-z", "x,y,z 1/2-x,-y,1/2+z 3/4-y,1/4+x,1/4+z 3/4+y,3/4-x,3/4+z -x,-y,-z " "1/2+x,y,1/2-z 1/4+y,3/4-x,3/4-z 1/4-y,1/4+x,1/4-z 1/2+x,1/2+y,1/2+z " "-x,1/2-y,z 1/4-y,3/4+x,3/4+z 1/4+y,1/4-x,1/4+z 1/2-x,1/2-y,1/2-z x,1/2+y,-z " "3/4+y,1/4-x,1/4-z 3/4-y,3/4+x,3/4-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "y,x,-z -y,-x,-z", "x,y,z -x,-y,1/2+z -y,x,1/4+z y,-x,3/4+z -x,y,-z x,-y,1/2-z y,x,3/4-z " "-y,-x,1/4-z", "x,y,z -x,-y,1/2+z 1/2-y,1/2+x,1/4+z 1/2+y,1/2-x,3/4+z 1/2-x,1/2+y,1/4-z " "1/2+x,1/2-y,3/4-z y,x,-z -y,-x,1/2-z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,y,-z x,-y,-z y,x,1/2-z -y,-x,1/2-z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,-z -y,-x,-z", "x,y,z -x,-y,1/2+z -y,x,3/4+z y,-x,1/4+z -x,y,-z x,-y,1/2-z y,x,1/4-z " "-y,-x,3/4-z", "x,y,z -x,-y,1/2+z 1/2-y,1/2+x,3/4+z 1/2+y,1/2-x,1/4+z 1/2-x,1/2+y,3/4-z " "1/2+x,1/2-y,1/4-z y,x,-z -y,-x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2-x,y,3/4-z " "x,1/2-y,1/4-z 1/2+y,1/2+x,1/2-z -y,-x,-z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z -x,1/2+y,1/4-z 1/2+x,-y,3/4-z y,x,-z " "1/2-y,1/2-x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,z -x,y,z -y,-x,z y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,z " "1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z x,-y,1/2+z -x,y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z " "1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z x,-y,z -x,y,z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z 1/2+x,1/2-y,z 1/2-x,1/2+y,z " "1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,z -x,y,z -y,-x,z y,x,z 1/2+x,1/2+y,1/2+z " "1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z x,-y,z " "1/2-x,1/2+y,1/2+z -y,1/2-x,1/4+z 1/2+y,x,3/4+z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z 1/2+x,1/2-y,1/2+z -x,y,z 1/2-y,-x,3/4+z " "y,1/2+x,1/4+z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z x,-y,1/2+z " "1/2-x,1/2+y,z -y,1/2-x,3/4+z 1/2+y,x,1/4+z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z 1/2+x,1/2-y,z -x,y,1/2+z 1/2-y,-x,1/4+z " "y,1/2+x,3/4+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z -x,y,-z x,-y,-z -y,-x,z y,x,z", "x,y,z -x,-y,z y,-x,-z -y,x,-z -x,y,1/2-z x,-y,1/2-z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-y,1/2-x,z " "1/2+y,1/2+x,z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,z -x,y,z y,x,-z -y,-x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z y,x,1/2-z -y,-x,1/2-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2+y,1/2+x,-z " "1/2-y,1/2-x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,z -x,y,z y,x,-z -y,-x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z y,x,1/2-z -y,-x,1/2-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z -x,y,-z x,-y,-z -y,-x,z y,x,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2-x,y,3/4-z 1/2+x,-y,3/4-z 1/2-y,-x,3/4+z " "1/2+y,x,3/4+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z -x,1/2+y,1/4-z x,1/2-y,1/4-z -y,1/2-x,1/4+z y,1/2+x,1/4+z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z -x,-y,-z x,y,-z " "y,-x,-z -y,x,-z x,-y,z -x,y,z -y,-x,z y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,1/2-z x,-y,1/2-z y,x,1/2-z -y,-x,1/2-z " "-x,-y,-z x,y,-z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z", "x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z 1/2-x,1/2-y,-z " "1/2+y,1/2-x,-z 1/2+x,1/2+y,-z 1/2-y,1/2+x,-z 1/2-x,1/2+y,z 1/2-y,1/2-x,z " "1/2+x,1/2-y,z 1/2+y,1/2+x,z", "x,y,z 1/2-y,x,z 1/2-x,1/2-y,z y,1/2-x,z x,1/2-y,-z y,x,-z 1/2-x,y,-z " "1/2-y,1/2-x,-z -x,-y,-z 1/2+y,-x,-z 1/2+x,1/2+y,-z -y,1/2+x,-z -x,1/2+y,z " "-y,-x,z 1/2+x,-y,z 1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z 1/2-x,y,1/2-z x,1/2-y,1/2-z " "y,x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z -y,1/2+x,-z " "1/2+x,-y,1/2+z -x,1/2+y,1/2+z -y,-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+y,1/2+x,-z " "1/2-y,1/2-x,-z -x,-y,-z x,y,-z y,-x,-z -y,x,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z " "1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z x,y,-z y,-x,-z -y,x,-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "y,x,-z -y,-x,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z y,-x,-z -y,x,-z x,-y,z -x,y,z " "1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z -x,1/2+y,-z 1/2+x,-y,-z " "1/2+y,1/2+x,-z -y,-x,-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z -y,1/2+x,-z " "x,1/2-y,z 1/2-x,y,z 1/2-y,1/2-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,1/2-z -y,-x,1/2-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z -x,1/2+y,1/2-z 1/2+x,-y,1/2-z " "1/2+y,1/2+x,1/2-z -y,-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z " "-y,1/2+x,-z x,1/2-y,1/2+z 1/2-x,y,1/2+z 1/2-y,1/2-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,y,-z x,-y,-z y,x,1/2-z -y,-x,1/2-z " "-x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z x,-y,z -x,y,z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,y,1/2-z x,-y,1/2-z y,x,-z -y,-x,-z " "-x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z x,-y,1/2+z -x,y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z -x,y,1/2-z x,-y,1/2-z " "1/2+y,1/2+x,-z 1/2-y,1/2-x,-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z y,-x,-z " "-y,x,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z -y,-x,1/2+z y,x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z 1/2-x,y,-z x,1/2-y,-z " "y,x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,1/2-z " "-y,1/2+x,1/2-z 1/2+x,-y,z -x,1/2+y,z -y,-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z -x,y,-z x,-y,-z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "y,-x,-z -y,x,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z -y,-x,z y,x,z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z 1/2-x,y,1/2-z x,1/2-y,1/2-z " "y,x,-z 1/2-y,1/2-x,-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,1/2-z -y,1/2+x,1/2-z " "1/2+x,-y,1/2+z -x,1/2+y,1/2+z -y,-x,z 1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,-z -y,-x,-z -x,-y,-z x,y,-z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,-z -y,-x,-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "y,-x,-z -y,x,-z x,-y,z -x,y,z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z -x,1/2+y,-z 1/2+x,-y,-z " "1/2+y,1/2+x,1/2-z -y,-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,1/2-z " "-y,1/2+x,1/2-z x,1/2-y,z 1/2-x,y,z 1/2-y,1/2-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,-z " "1/2+x,1/2-y,-z y,x,1/2-z -y,-x,1/2-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z 1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z -x,1/2+y,1/2-z " "1/2+x,-y,1/2-z 1/2+y,1/2+x,-z -y,-x,-z -x,-y,-z 1/2+x,1/2+y,-z " "1/2+y,-x,1/2-z -y,1/2+x,1/2-z x,1/2-y,1/2+z 1/2-x,y,1/2+z 1/2-y,1/2-x,z " "y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z -x,-y,-z x,y,-z " "y,-x,-z -y,x,-z x,-y,z -x,y,z -y,-x,z y,x,z 1/2+x,1/2+y,1/2+z " "1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2-x,1/2-y,1/2-z " "1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,1/2-z x,-y,1/2-z y,x,1/2-z -y,-x,1/2-z " "-x,-y,-z x,y,-z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2-x,y,3/4-z " "x,1/2-y,1/4-z 1/2+y,1/2+x,1/2-z -y,-x,-z -x,1/2-y,1/4-z 1/2+x,y,3/4-z " "y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,1/2+z -x,y,z 1/2-y,-x,3/4+z " "y,1/2+x,1/4+z 1/2+x,1/2+y,1/2+z -x,-y,z 1/2-y,x,3/4+z y,1/2-x,1/4+z " "-x,1/2+y,1/4-z 1/2+x,-y,3/4-z y,x,-z 1/2-y,1/2-x,1/2-z 1/2-x,-y,3/4-z " "x,1/2+y,1/4-z 1/2+y,1/2-x,1/2-z -y,x,-z x,-y,z 1/2-x,1/2+y,1/2+z " "-y,1/2-x,1/4+z 1/2+y,x,3/4+z", "x,y,z 1/2-x,-y,1/2+z 1/4-y,3/4+x,1/4+z 1/4+y,1/4-x,3/4+z 1/2-x,y,1/2-z " "x,-y,-z 1/4+y,3/4+x,1/4-z 1/4-y,1/4-x,3/4-z -x,-y,-z 1/2+x,y,1/2-z " "3/4+y,1/4-x,3/4-z 3/4-y,3/4+x,1/4-z 1/2+x,-y,1/2+z -x,y,z 3/4-y,1/4-x,3/4+z " "3/4+y,3/4+x,1/4+z 1/2+x,1/2+y,1/2+z -x,1/2-y,z 3/4-y,1/4+x,3/4+z " "3/4+y,3/4-x,1/4+z -x,1/2+y,-z 1/2+x,1/2-y,1/2-z 3/4+y,1/4+x,3/4-z " "3/4-y,3/4-x,1/4-z 1/2-x,1/2-y,1/2-z x,1/2+y,-z 1/4+y,3/4-x,1/4-z " "1/4-y,1/4+x,3/4-z x,1/2-y,z 1/2-x,1/2+y,1/2+z 1/4-y,3/4-x,1/4+z " "1/4+y,1/4+x,3/4+z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2-x,y,1/4-z " "x,1/2-y,3/4-z 1/2+y,1/2+x,-z -y,-x,1/2-z -x,1/2-y,1/4-z 1/2+x,y,3/4-z " "y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,z -x,y,1/2+z 1/2-y,-x,1/4+z " "y,1/2+x,3/4+z 1/2+x,1/2+y,1/2+z -x,-y,z 1/2-y,x,3/4+z y,1/2-x,1/4+z " "-x,1/2+y,3/4-z 1/2+x,-y,1/4-z y,x,1/2-z 1/2-y,1/2-x,-z 1/2-x,-y,3/4-z " "x,1/2+y,1/4-z 1/2+y,1/2-x,1/2-z -y,x,-z x,-y,1/2+z 1/2-x,1/2+y,z " "-y,1/2-x,3/4+z 1/2+y,x,1/4+z", "x,y,z 1/2-x,-y,1/2+z 1/4-y,3/4+x,1/4+z 1/4+y,1/4-x,3/4+z 1/2-x,y,-z " "x,-y,1/2-z 1/4+y,3/4+x,3/4-z 1/4-y,1/4-x,1/4-z -x,-y,-z 1/2+x,y,1/2-z " "3/4+y,1/4-x,3/4-z 3/4-y,3/4+x,1/4-z 1/2+x,-y,z -x,y,1/2+z 3/4-y,1/4-x,1/4+z " "3/4+y,3/4+x,3/4+z 1/2+x,1/2+y,1/2+z -x,1/2-y,z 3/4-y,1/4+x,3/4+z " "3/4+y,3/4-x,1/4+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z 3/4+y,1/4+x,1/4-z " "3/4-y,3/4-x,3/4-z 1/2-x,1/2-y,1/2-z x,1/2+y,-z 1/4+y,3/4-x,1/4-z " "1/4-y,1/4+x,3/4-z x,1/2-y,1/2+z 1/2-x,1/2+y,z 1/4-y,3/4-x,3/4+z " "1/4+y,1/4+x,1/4+z", "x,y,z -y,x-y,z y-x,-x,z", "x,y,z -y,x-y,1/3+z y-x,-x,2/3+z", "x,y,z -y,x-y,2/3+z y-x,-x,1/3+z", "x,y,z -y,x-y,z y-x,-x,z " "2/3+x,1/3+y,1/3+z 2/3-y,1/3+x-y,1/3+z " "2/3+y-x,1/3-x,1/3+z 1/3+x,2/3+y,2/3+z " "1/3-y,2/3+x-y,2/3+z 1/3+y-x,2/3-x,2/3+z", "x,y,z z,x,y y,z,x", "x,y,z -y,x-y,z y-x,-x,z -x,-y,-z y,y-x,-z x-y,x,-z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,-z y,y-x,-z x-y,x,-z 2/3+x,1/3+y,1/3+z " "2/3-y,1/3+x-y,1/3+z 2/3+y-x,1/3-x,1/3+z 2/3-x,1/3-y,1/3-z " "2/3+y,1/3+y-x,1/3-z 2/3+x-y,1/3+x,1/3-z 1/3+x,2/3+y,2/3+z " "1/3-y,2/3+x-y,2/3+z 1/3+y-x,2/3-x,2/3+z 1/3-x,2/3-y,2/3-z " "1/3+y,2/3+y-x,2/3-z 1/3+x-y,2/3+x,2/3-z", "x,y,z z,x,y y,z,x 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2/3+x,1/3+y,1/3+z " "2/3-y,1/3+x-y,1/3+z 2/3+y-x,1/3-x,1/3+z 2/3+y,1/3+x,5/6-z " "2/3+x-y,1/3-y,5/6-z 2/3-x,1/3+y-x,5/6-z 2/3-x,1/3-y,1/3-z " "2/3+y,1/3+y-x,1/3-z 2/3+x-y,1/3+x,1/3-z 2/3-y,1/3-x,5/6+z " "2/3+y-x,1/3+y,5/6+z 2/3+x,1/3+x-y,5/6+z 1/3+x,2/3+y,2/3+z " "1/3-y,2/3+x-y,2/3+z 1/3+y-x,2/3-x,2/3+z 1/3+y,2/3+x,1/6-z " "1/3+x-y,2/3-y,1/6-z 1/3-x,2/3+y-x,1/6-z 1/3-x,2/3-y,2/3-z " "1/3+y,2/3+y-x,2/3-z 1/3+x-y,2/3+x,2/3-z 1/3-y,2/3-x,1/6+z " "1/3+y-x,2/3+y,1/6+z 1/3+x,2/3+x-y,1/6+z", "x,y,z z,x,y y,z,x 1/2-y,1/2-x,1/2-z 1/2-x,1/2-z,1/2-y 1/2-z,1/2-y,1/2-x " "-x,-y,-z -z,-x,-y -y,-z,-x 1/2+y,1/2+x,1/2+z 1/2+x,1/2+z,1/2+y " "1/2+z,1/2+y,1/2+x", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z", "x,y,z -y,x-y,1/3+z y-x,-x,2/3+z -x,-y,1/2+z y,y-x,5/6+z x-y,x,1/6+z", "x,y,z -y,x-y,2/3+z y-x,-x,1/3+z -x,-y,1/2+z y,y-x,1/6+z x-y,x,5/6+z", "x,y,z -y,x-y,2/3+z y-x,-x,1/3+z -x,-y,z y,y-x,2/3+z x-y,x,1/3+z", "x,y,z -y,x-y,1/3+z y-x,-x,2/3+z -x,-y,z y,y-x,1/3+z x-y,x,2/3+z", "x,y,z -y,x-y,z 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x,x-y,2/3-z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,-z " "x-y,-y,-z -x,y-x,-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z -y,-x,z y-x,y,z x,x-y,z " "y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z -y,-x,1/2+z y-x,y,1/2+z " "x,x-y,1/2+z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z -y,-x,1/2+z " "y-x,y,1/2+z x,x-y,1/2+z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z -y,-x,z y-x,y,z " "x,x-y,z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z x,y,-z -y,x-y,-z y-x,-x,-z -y,-x,z y-x,y,z x,x-y,z " "-y,-x,-z y-x,y,-z x,x-y,-z", "x,y,z -y,x-y,z y-x,-x,z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,1/2+z " "y-x,y,1/2+z x,x-y,1/2+z -y,-x,-z y-x,y,-z x,x-y,-z", "x,y,z -y,x-y,z y-x,-x,z x,y,-z -y,x-y,-z y-x,-x,-z y,x,-z x-y,-y,-z " "-x,y-x,-z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z y,x,-z " "x-y,-y,-z -x,y-x,-z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z y,x,-z x-y,-y,-z -x,y-x,-z " "-y,-x,-z y-x,y,-z x,x-y,-z -x,-y,-z y,y-x,-z x-y,x,-z x,y,-z -y,x-y,-z " "y-x,-x,-z -y,-x,z y-x,y,z x,x-y,z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z y,x,1/2-z x-y,-y,1/2-z " "-x,y-x,1/2-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z -x,-y,-z y,y-x,-z x-y,x,-z " "x,y,-z -y,x-y,-z y-x,-x,-z -y,-x,1/2+z y-x,y,1/2+z x,x-y,1/2+z y,x,1/2+z " "x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,1/2-z " "x-y,-y,1/2-z -x,y-x,1/2-z -y,-x,-z y-x,y,-z x,x-y,-z -x,-y,-z y,y-x,-z " "x-y,x,-z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,1/2+z y-x,y,1/2+z " "x,x-y,1/2+z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,-z " "x-y,-y,-z -x,y-x,-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z -x,-y,-z y,y-x,-z " "x-y,x,-z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,z y-x,y,z x,x-y,z " "y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z " "z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x " "-y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,y,1/2-z 1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y " "1/2-z,x,1/2-y 1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z 1/2+z,1/2+x,1/2+y 1/2+z,1/2-x,1/2-y 1/2-z,1/2-x,1/2+y " "1/2-z,1/2+x,1/2-y 1/2+y,1/2+z,1/2+x 1/2-y,1/2+z,1/2-x 1/2+y,1/2-z,1/2-x " "1/2-y,1/2-z,1/2+x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z x,-y,1/2-z " "1/2+z,1/2+x,1/2+y z,-x,1/2-y -z,1/2-x,y 1/2-z,x,-y 1/2+y,1/2+z,1/2+x " "1/2-y,z,-x y,-z,1/2-x -y,1/2-z,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y z,-x,y " "-y,-z,-x y,-z,x -y,z,x y,z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-z,1/2-x,1/2-y 1/2-z,1/2+x,1/2+y 1/2+z,1/2+x,1/2-y " "1/2+z,1/2-x,1/2+y 1/2-y,1/2-z,1/2-x 1/2+y,1/2-z,1/2+x 1/2-y,1/2+z,1/2+x " "1/2+y,1/2+z,1/2-x", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z z,x,y z,1/2-x,1/2-y " "1/2-z,1/2-x,y 1/2-z,x,1/2-y y,z,x 1/2-y,z,1/2-x y,1/2-z,1/2-x 1/2-y,1/2-z,x " "-x,-y,-z 1/2+x,1/2+y,-z 1/2+x,-y,1/2+z -x,1/2+y,1/2+z -z,-x,-y " "-z,1/2+x,1/2+y 1/2+z,1/2+x,-y 1/2+z,-x,1/2+y -y,-z,-x 1/2+y,-z,1/2+x " "-y,1/2+z,1/2+x 1/2+y,1/2+z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y z,-x,y " "-y,-z,-x y,-z,x -y,z,x y,z,-x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z " "x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y " "y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x -x,1/2-y,1/2-z " "x,1/2+y,1/2-z x,1/2-y,1/2+z -x,1/2+y,1/2+z -z,1/2-x,1/2-y -z,1/2+x,1/2+y " "z,1/2+x,1/2-y z,1/2-x,1/2+y -y,1/2-z,1/2-x y,1/2-z,1/2+x -y,1/2+z,1/2+x " "y,1/2+z,1/2-x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,-y,1/2-z " "1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y 1/2+y,z,1/2+x " "1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x 1/2-x,-y,1/2-z 1/2+x,y,1/2-z " "1/2+x,-y,1/2+z 1/2-x,y,1/2+z 1/2-z,-x,1/2-y 1/2-z,x,1/2+y 1/2+z,x,1/2-y " "1/2+z,-x,1/2+y 1/2-y,-z,1/2-x 1/2+y,-z,1/2+x 1/2-y,z,1/2+x 1/2+y,z,1/2-x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,z " "1/2-x,1/2+y,z 1/2-z,1/2-x,-y 1/2-z,1/2+x,y 1/2+z,1/2+x,-y 1/2+z,1/2-x,y " "1/2-y,1/2-z,-x 1/2+y,1/2-z,x 1/2-y,1/2+z,x 1/2+y,1/2+z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/4-x,1/4-y,1/4-z 1/4+x,1/4+y,1/4-z 1/4+x,1/4-y,1/4+z " "1/4-x,1/4+y,1/4+z 1/4-z,1/4-x,1/4-y 1/4-z,1/4+x,1/4+y 1/4+z,1/4+x,1/4-y " "1/4+z,1/4-x,1/4+y 1/4-y,1/4-z,1/4-x 1/4+y,1/4-z,1/4+x 1/4-y,1/4+z,1/4+x " "1/4+y,1/4+z,1/4-x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z " "z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x " "-y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x 1/4-x,3/4-y,3/4-z " "1/4+x,3/4+y,3/4-z 1/4+x,3/4-y,3/4+z 1/4-x,3/4+y,3/4+z 1/4-z,3/4-x,3/4-y " "1/4-z,3/4+x,3/4+y 1/4+z,3/4+x,3/4-y 1/4+z,3/4-x,3/4+y 1/4-y,3/4-z,3/4-x " "1/4+y,3/4-z,3/4+x 1/4-y,3/4+z,3/4+x 1/4+y,3/4+z,3/4-x 1/2+x,y,1/2+z " "1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y " "1/2-z,-x,1/2+y 1/2-z,x,1/2-y 1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x " "1/2-y,-z,1/2+x 3/4-x,1/4-y,3/4-z 3/4+x,1/4+y,3/4-z 3/4+x,1/4-y,3/4+z " "3/4-x,1/4+y,3/4+z 3/4-z,1/4-x,3/4-y 3/4-z,1/4+x,3/4+y 3/4+z,1/4+x,3/4-y " "3/4+z,1/4-x,3/4+y 3/4-y,1/4-z,3/4-x 3/4+y,1/4-z,3/4+x 3/4-y,1/4+z,3/4+x " "3/4+y,1/4+z,3/4-x 1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "1/2+z,1/2+x,y 1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x " "1/2-y,1/2+z,-x 1/2+y,1/2-z,-x 1/2-y,1/2-z,x 3/4-x,3/4-y,1/4-z " "3/4+x,3/4+y,1/4-z 3/4+x,3/4-y,1/4+z 3/4-x,3/4+y,1/4+z 3/4-z,3/4-x,1/4-y " "3/4-z,3/4+x,1/4+y 3/4+z,3/4+x,1/4-y 3/4+z,3/4-x,1/4+y 3/4-y,3/4-z,1/4-x " "3/4+y,3/4-z,1/4+x 3/4-y,3/4+z,1/4+x 3/4+y,3/4+z,1/4-x", "x,y,z 1/4-x,1/4-y,z 1/4-x,y,1/4-z x,1/4-y,1/4-z z,x,y z,1/4-x,1/4-y " "1/4-z,1/4-x,y 1/4-z,x,1/4-y y,z,x 1/4-y,z,1/4-x y,1/4-z,1/4-x 1/4-y,1/4-z,x " "-x,-y,-z 3/4+x,3/4+y,-z 3/4+x,-y,3/4+z -x,3/4+y,3/4+z -z,-x,-y " "-z,3/4+x,3/4+y 3/4+z,3/4+x,-y 3/4+z,-x,3/4+y -y,-z,-x 3/4+y,-z,3/4+x " "-y,3/4+z,3/4+x 3/4+y,3/4+z,-x x,1/2+y,1/2+z 1/4-x,3/4-y,1/2+z " "1/4-x,1/2+y,3/4-z x,3/4-y,3/4-z z,1/2+x,1/2+y z,3/4-x,3/4-y " "1/4-z,3/4-x,1/2+y 1/4-z,1/2+x,3/4-y y,1/2+z,1/2+x 1/4-y,1/2+z,3/4-x " "y,3/4-z,3/4-x 1/4-y,3/4-z,1/2+x -x,1/2-y,1/2-z 3/4+x,1/4+y,1/2-z " "3/4+x,1/2-y,1/4+z -x,1/4+y,1/4+z -z,1/2-x,1/2-y -z,1/4+x,1/4+y " "3/4+z,1/4+x,1/2-y 3/4+z,1/2-x,1/4+y -y,1/2-z,1/2-x 3/4+y,1/2-z,1/4+x " "-y,1/4+z,1/4+x 3/4+y,1/4+z,1/2-x 1/2+x,y,1/2+z 3/4-x,1/4-y,1/2+z " "3/4-x,y,3/4-z 1/2+x,1/4-y,3/4-z 1/2+z,x,1/2+y 1/2+z,1/4-x,3/4-y " "3/4-z,1/4-x,1/2+y 3/4-z,x,3/4-y 1/2+y,z,1/2+x 3/4-y,z,3/4-x " "1/2+y,1/4-z,3/4-x 3/4-y,1/4-z,1/2+x 1/2-x,-y,1/2-z 1/4+x,3/4+y,1/2-z " "1/4+x,-y,1/4+z 1/2-x,3/4+y,1/4+z 1/2-z,-x,1/2-y 1/2-z,3/4+x,1/4+y " "1/4+z,3/4+x,1/2-y 1/4+z,-x,1/4+y 1/2-y,-z,1/2-x 1/4+y,-z,1/4+x " "1/2-y,3/4+z,1/4+x 1/4+y,3/4+z,1/2-x 1/2+x,1/2+y,z 3/4-x,3/4-y,z " "3/4-x,1/2+y,1/4-z 1/2+x,3/4-y,1/4-z 1/2+z,1/2+x,y 1/2+z,3/4-x,1/4-y " "3/4-z,3/4-x,y 3/4-z,1/2+x,1/4-y 1/2+y,1/2+z,x 3/4-y,1/2+z,1/4-x " "1/2+y,3/4-z,1/4-x 3/4-y,3/4-z,x 1/2-x,1/2-y,-z 1/4+x,1/4+y,-z " "1/4+x,1/2-y,3/4+z 1/2-x,1/4+y,3/4+z 1/2-z,1/2-x,-y 1/2-z,1/4+x,3/4+y " "1/4+z,1/4+x,-y 1/4+z,1/2-x,3/4+y 1/2-y,1/2-z,-x 1/4+y,1/2-z,3/4+x " "1/2-y,1/4+z,3/4+x 1/4+y,1/4+z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y 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1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z 1/2+y,1/2-x,z " "1/2-y,1/2+x,z 1/2+x,1/2+z,-y 1/2-x,1/2+z,y 1/2-x,1/2-z,-y 1/2+x,1/2-z,y " "1/2+z,1/2+y,-x 1/2+z,1/2-y,x 1/2-z,1/2+y,x 1/2-z,1/2-y,-x", "x,y,z -x,1/2-y,1/2+z 1/2-x,1/2+y,-z 1/2+x,-y,1/2-z z,x,y 1/2+z,-x,1/2-y " "-z,1/2-x,1/2+y 1/2-z,1/2+x,-y y,z,x 1/2-y,1/2+z,-x 1/2+y,-z,1/2-x " "-y,1/2-z,1/2+x 3/4+y,1/4+x,3/4-z 1/4-y,1/4-x,1/4-z 1/4+y,3/4-x,3/4+z " "3/4-y,3/4+x,1/4+z 3/4+x,1/4+z,3/4-y 3/4-x,3/4+z,1/4+y 1/4-x,1/4-z,1/4-y " "1/4+x,3/4-z,3/4+y 3/4+z,1/4+y,3/4-x 1/4+z,3/4-y,3/4+x 3/4-z,3/4+y,1/4+x " "1/4-z,1/4-y,1/4-x x,1/2+y,1/2+z -x,-y,z 1/2-x,y,1/2-z 1/2+x,1/2-y,-z " "z,1/2+x,1/2+y 1/2+z,1/2-x,-y -z,-x,y 1/2-z,x,1/2-y y,1/2+z,1/2+x " "1/2-y,z,1/2-x 1/2+y,1/2-z,-x -y,-z,x 3/4+y,3/4+x,1/4-z 1/4-y,3/4-x,3/4-z " "1/4+y,1/4-x,1/4+z 3/4-y,1/4+x,3/4+z 3/4+x,3/4+z,1/4-y 3/4-x,1/4+z,3/4+y " "1/4-x,3/4-z,3/4-y 1/4+x,1/4-z,1/4+y 3/4+z,3/4+y,1/4-x 1/4+z,1/4-y,1/4+x " "3/4-z,1/4+y,3/4+x 1/4-z,3/4-y,3/4-x 1/2+x,y,1/2+z 1/2-x,1/2-y,z " "-x,1/2+y,1/2-z x,-y,-z 1/2+z,x,1/2+y z,-x,-y 1/2-z,1/2-x,y -z,1/2+x,1/2-y " "1/2+y,z,1/2+x -y,1/2+z,1/2-x y,-z,-x 1/2-y,1/2-z,x 1/4+y,1/4+x,1/4-z " "3/4-y,1/4-x,3/4-z 3/4+y,3/4-x,1/4+z 1/4-y,3/4+x,3/4+z 1/4+x,1/4+z,1/4-y " "1/4-x,3/4+z,3/4+y 3/4-x,1/4-z,3/4-y 3/4+x,3/4-z,1/4+y 1/4+z,1/4+y,1/4-x " "3/4+z,3/4-y,1/4+x 1/4-z,3/4+y,3/4+x 3/4-z,1/4-y,3/4-x 1/2+x,1/2+y,z " "1/2-x,-y,1/2+z -x,y,-z x,1/2-y,1/2-z 1/2+z,1/2+x,y z,1/2-x,1/2-y " "1/2-z,-x,1/2+y -z,x,-y 1/2+y,1/2+z,x -y,z,-x y,1/2-z,1/2-x 1/2-y,-z,1/2+x " "1/4+y,3/4+x,3/4-z 3/4-y,3/4-x,1/4-z 3/4+y,1/4-x,3/4+z 1/4-y,1/4+x,1/4+z " "1/4+x,3/4+z,3/4-y 1/4-x,1/4+z,1/4+y 3/4-x,3/4-z,1/4-y 3/4+x,1/4-z,3/4+y " "1/4+z,3/4+y,3/4-x 3/4+z,1/4-y,3/4+x 1/4-z,1/4+y,1/4+x 3/4-z,3/4-y,1/4-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2+z,1/2+x,1/2+y 1/2+z,1/2-x,1/2-y " "1/2-z,1/2-x,1/2+y 1/2-z,1/2+x,1/2-y 1/2+y,1/2+z,1/2+x 1/2-y,1/2+z,1/2-x " "1/2+y,1/2-z,1/2-x 1/2-y,1/2-z,1/2+x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z " "1/2+y,1/2-x,1/2+z 1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y " "1/2-x,1/2-z,1/2-y 1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x " "1/2-z,1/2+y,1/2+x 1/2-z,1/2-y,1/2-x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 1/4+y,3/4+x,3/4-z 1/4-y,1/4-x,1/4-z 3/4+y,3/4-x,1/4+z " "3/4-y,1/4+x,3/4+z 1/4+x,3/4+z,3/4-y 3/4-x,1/4+z,3/4+y 1/4-x,1/4-z,1/4-y " "3/4+x,3/4-z,1/4+y 1/4+z,3/4+y,3/4-x 3/4+z,3/4-y,1/4+x 3/4-z,1/4+y,3/4+x " "1/4-z,1/4-y,1/4-x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 3/4+y,1/4+x,1/4-z 3/4-y,3/4-x,3/4-z 1/4+y,1/4-x,3/4+z " "1/4-y,3/4+x,1/4+z 3/4+x,1/4+z,1/4-y 1/4-x,3/4+z,1/4+y 3/4-x,3/4-z,3/4-y " "1/4+x,1/4-z,3/4+y 3/4+z,1/4+y,1/4-x 1/4+z,1/4-y,3/4+x 1/4-z,3/4+y,1/4+x " "3/4-z,3/4-y,3/4-x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 3/4+y,1/4+x,1/4-z 3/4-y,3/4-x,3/4-z 1/4+y,1/4-x,3/4+z " "1/4-y,3/4+x,1/4+z 3/4+x,1/4+z,1/4-y 1/4-x,3/4+z,1/4+y 3/4-x,3/4-z,3/4-y " "1/4+x,1/4-z,3/4+y 3/4+z,1/4+y,1/4-x 1/4+z,1/4-y,3/4+x 1/4-z,3/4+y,1/4+x " "3/4-z,3/4-y,3/4-x 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z x,-y,1/2-z " "1/2+z,1/2+x,1/2+y z,-x,1/2-y -z,1/2-x,y 1/2-z,x,-y 1/2+y,1/2+z,1/2+x " "1/2-y,z,-x y,-z,1/2-x -y,1/2-z,x 1/4+y,3/4+x,3/4-z 1/4-y,1/4-x,1/4-z " "3/4+y,3/4-x,1/4+z 3/4-y,1/4+x,3/4+z 1/4+x,3/4+z,3/4-y 3/4-x,1/4+z,3/4+y " "1/4-x,1/4-z,1/4-y 3/4+x,3/4-z,1/4+y 1/4+z,3/4+y,3/4-x 3/4+z,3/4-y,1/4+x " "3/4-z,1/4+y,3/4+x 1/4-z,1/4-y,1/4-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,z -y,-x,z y,-x,-z -y,x,-z x,z,y -x,z,-y -x,-z,y x,-z,-y " "z,y,x z,-y,-x -z,y,-x -z,-y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,z -y,-x,z y,-x,-z -y,x,-z x,z,y -x,z,-y -x,-z,y x,-z,-y " "z,y,x z,-y,-x -z,y,-x -z,-y,x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z " "x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y " "y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x y,1/2+x,1/2+z " "-y,1/2-x,1/2+z y,1/2-x,1/2-z -y,1/2+x,1/2-z x,1/2+z,1/2+y -x,1/2+z,1/2-y " "-x,1/2-z,1/2+y x,1/2-z,1/2-y z,1/2+y,1/2+x z,1/2-y,1/2-x -z,1/2+y,1/2-x " "-z,1/2-y,1/2+x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,-y,1/2-z " "1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y 1/2+y,z,1/2+x " "1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x 1/2+y,x,1/2+z 1/2-y,-x,1/2+z " "1/2+y,-x,1/2-z 1/2-y,x,1/2-z 1/2+x,z,1/2+y 1/2-x,z,1/2-y 1/2-x,-z,1/2+y " "1/2+x,-z,1/2-y 1/2+z,y,1/2+x 1/2+z,-y,1/2-x 1/2-z,y,1/2-x 1/2-z,-y,1/2+x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2+y,1/2+x,z 1/2-y,1/2-x,z 1/2+y,1/2-x,-z " "1/2-y,1/2+x,-z 1/2+x,1/2+z,y 1/2-x,1/2+z,-y 1/2-x,1/2-z,y 1/2+x,1/2-z,-y " "1/2+z,1/2+y,x 1/2+z,1/2-y,-x 1/2-z,1/2+y,-x 1/2-z,1/2-y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,z -y,-x,z y,-x,-z -y,x,-z x,z,y -x,z,-y -x,-z,y x,-z,-y " "z,y,x z,-y,-x -z,y,-x -z,-y,x 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2+z,1/2+x,1/2+y 1/2+z,1/2-x,1/2-y " "1/2-z,1/2-x,1/2+y 1/2-z,1/2+x,1/2-y 1/2+y,1/2+z,1/2+x 1/2-y,1/2+z,1/2-x " "1/2+y,1/2-z,1/2-x 1/2-y,1/2-z,1/2+x 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z " "1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y " "1/2-x,1/2-z,1/2+y 1/2+x,1/2-z,1/2-y 1/2+z,1/2+y,1/2+x 1/2+z,1/2-y,1/2-x " "1/2-z,1/2+y,1/2-x 1/2-z,1/2-y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z 1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-x,1/2-z,1/2+y " "1/2+x,1/2-z,1/2-y 1/2+z,1/2+y,1/2+x 1/2+z,1/2-y,1/2-x 1/2-z,1/2+y,1/2-x " "1/2-z,1/2-y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z 1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-x,1/2-z,1/2+y " "1/2+x,1/2-z,1/2-y 1/2+z,1/2+y,1/2+x 1/2+z,1/2-y,1/2-x 1/2-z,1/2+y,1/2-x " "1/2-z,1/2-y,1/2+x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z " "z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x " "-y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x 1/2+y,x,z 1/2-y,-x,z " "1/2+y,-x,-z 1/2-y,x,-z 1/2+x,z,y 1/2-x,z,-y 1/2-x,-z,y 1/2+x,-z,-y " "1/2+z,y,x 1/2+z,-y,-x 1/2-z,y,-x 1/2-z,-y,x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,y,1/2-z 1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y " "1/2-z,x,1/2-y 1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x " "y,1/2+x,z -y,1/2-x,z y,1/2-x,-z -y,1/2+x,-z x,1/2+z,y -x,1/2+z,-y " "-x,1/2-z,y x,1/2-z,-y z,1/2+y,x z,1/2-y,-x -z,1/2+y,-x -z,1/2-y,x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x y,x,1/2+z -y,-x,1/2+z y,-x,1/2-z -y,x,1/2-z " "x,z,1/2+y -x,z,1/2-y -x,-z,1/2+y x,-z,1/2-y z,y,1/2+x z,-y,1/2-x -z,y,1/2-x " "-z,-y,1/2+x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 1/4+y,1/4+x,1/4+z 1/4-y,3/4-x,3/4+z 3/4+y,1/4-x,3/4-z " "3/4-y,3/4+x,1/4-z 1/4+x,1/4+z,1/4+y 3/4-x,3/4+z,1/4-y 1/4-x,3/4-z,3/4+y " "3/4+x,1/4-z,3/4-y 1/4+z,1/4+y,1/4+x 3/4+z,1/4-y,3/4-x 3/4-z,3/4+y,1/4-x " "1/4-z,3/4-y,3/4+x 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z x,-y,1/2-z " "1/2+z,1/2+x,1/2+y z,-x,1/2-y -z,1/2-x,y 1/2-z,x,-y 1/2+y,1/2+z,1/2+x " "1/2-y,z,-x y,-z,1/2-x -y,1/2-z,x 3/4+y,3/4+x,3/4+z 3/4-y,1/4-x,1/4+z " "1/4+y,3/4-x,1/4-z 1/4-y,1/4+x,3/4-z 3/4+x,3/4+z,3/4+y 1/4-x,1/4+z,3/4-y " "3/4-x,1/4-z,1/4+y 1/4+x,3/4-z,1/4-y 3/4+z,3/4+y,3/4+x 1/4+z,3/4-y,1/4-x " "1/4-z,1/4+y,3/4-x 3/4-z,1/4-y,1/4+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y " "z,x,-y z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x -y,-x,z y,x,z -y,x,-z y,-x,-z " "-x,-z,y x,-z,-y x,z,y -x,z,-y -z,-y,x -z,y,-x z,-y,-x z,y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 " "x+1/2,-y+1/2,z+1/2 -x+1/2,y+1/2,z+1/2 -z+1/2,-x+1/2,-y+1/2 " "-z+1/2,x+1/2,y+1/2 z+1/2,x+1/2,-y+1/2 z+1/2,-x+1/2,y+1/2 " "-y+1/2,-z+1/2,-x+1/2 y+1/2,-z+1/2,x+1/2 -y+1/2,z+1/2,x+1/2 " "y+1/2,z+1/2,-x+1/2 -y+1/2,-x+1/2,z+1/2 y+1/2,x+1/2,z+1/2 " "-y+1/2,x+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-z+1/2,y+1/2 " "x+1/2,-z+1/2,-y+1/2 x+1/2,z+1/2,y+1/2 -x+1/2,z+1/2,-y+1/2 " "-z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+1/2 " "z+1/2,y+1/2,x+1/2", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z z,x,y z,1/2-x,1/2-y " "1/2-z,1/2-x,y 1/2-z,x,1/2-y y,z,x 1/2-y,z,1/2-x y,1/2-z,1/2-x 1/2-y,1/2-z,x " "y,x,1/2-z 1/2-y,1/2-x,1/2-z y,1/2-x,z 1/2-y,x,z x,z,1/2-y 1/2-x,z,y " "1/2-x,1/2-z,1/2-y x,1/2-z,y z,y,1/2-x z,1/2-y,x 1/2-z,y,x 1/2-z,1/2-y,1/2-x " "-x,-y,-z 1/2+x,1/2+y,-z 1/2+x,-y,1/2+z -x,1/2+y,1/2+z -z,-x,-y " "-z,1/2+x,1/2+y 1/2+z,1/2+x,-y 1/2+z,-x,1/2+y -y,-z,-x 1/2+y,-z,1/2+x " "-y,1/2+z,1/2+x 1/2+y,1/2+z,-x -y,-x,1/2+z 1/2+y,1/2+x,1/2+z -y,1/2+x,-z " "1/2+y,-x,-z -x,-z,1/2+y 1/2+x,-z,-y 1/2+x,1/2+z,1/2+y -x,1/2+z,-y " "-z,-y,1/2+x -z,1/2+y,-x 1/2+z,-y,-x 1/2+z,1/2+y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2-x,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y 1/2-x,1/2-z,1/2-y " "1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x 1/2-z,1/2+y,1/2+x " "1/2-z,1/2-y,1/2-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y " "z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z " "1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2-z 1/2-x,1/2-z,1/2+y 1/2+x,1/2-z,1/2-y " "1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-z,1/2-y,1/2+x 1/2-z,1/2+y,1/2-x " "1/2+z,1/2-y,1/2-x 1/2+z,1/2+y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2-x,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y 1/2-x,1/2-z,1/2-y " "1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x 1/2-z,1/2+y,1/2+x " "1/2-z,1/2-y,1/2-x 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-z,1/2-x,1/2-y 1/2-z,1/2+x,1/2+y 1/2+z,1/2+x,1/2-y " "1/2+z,1/2-x,1/2+y 1/2-y,1/2-z,1/2-x 1/2+y,1/2-z,1/2+x 1/2-y,1/2+z,1/2+x " "1/2+y,1/2+z,1/2-x -y,-x,z y,x,z -y,x,-z y,-x,-z -x,-z,y x,-z,-y x,z,y " "-x,z,-y -z,-y,x -z,y,-x z,-y,-x z,y,x", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z z,x,y z,1/2-x,1/2-y " "1/2-z,1/2-x,y 1/2-z,x,1/2-y y,z,x 1/2-y,z,1/2-x y,1/2-z,1/2-x 1/2-y,1/2-z,x " "1/2+y,1/2+x,-z -y,-x,-z 1/2+y,-x,1/2+z -y,1/2+x,1/2+z 1/2+x,1/2+z,-y " "-x,1/2+z,1/2+y -x,-z,-y 1/2+x,-z,1/2+y 1/2+z,1/2+y,-x 1/2+z,-y,1/2+x " "-z,1/2+y,1/2+x -z,-y,-x -x,-y,-z 1/2+x,1/2+y,-z 1/2+x,-y,1/2+z " "-x,1/2+y,1/2+z -z,-x,-y -z,1/2+x,1/2+y 1/2+z,1/2+x,-y 1/2+z,-x,1/2+y " "-y,-z,-x 1/2+y,-z,1/2+x -y,1/2+z,1/2+x 1/2+y,1/2+z,-x 1/2-y,1/2-x,z y,x,z " "1/2-y,x,1/2-z y,1/2-x,1/2-z 1/2-x,1/2-z,y x,1/2-z,1/2-y x,z,y 1/2-x,z,1/2-y " "1/2-z,1/2-y,x 1/2-z,y,1/2-x z,1/2-y,1/2-x z,y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y " "z,x,-y z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x -y,-x,z y,x,z -y,x,-z y,-x,-z " "-x,-z,y x,-z,-y x,z,y -x,z,-y -z,-y,x -z,y,-x z,-y,-x z,y,x x,1/2+y,1/2+z " "-x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y " "-z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x " "-y,1/2-z,1/2+x y,1/2+x,1/2-z -y,1/2-x,1/2-z y,1/2-x,1/2+z -y,1/2+x,1/2+z " "x,1/2+z,1/2-y -x,1/2+z,1/2+y -x,1/2-z,1/2-y x,1/2-z,1/2+y z,1/2+y,1/2-x " "z,1/2-y,1/2+x -z,1/2+y,1/2+x -z,1/2-y,1/2-x -x,1/2-y,1/2-z x,1/2+y,1/2-z " "x,1/2-y,1/2+z -x,1/2+y,1/2+z -z,1/2-x,1/2-y -z,1/2+x,1/2+y z,1/2+x,1/2-y " "z,1/2-x,1/2+y -y,1/2-z,1/2-x y,1/2-z,1/2+x -y,1/2+z,1/2+x y,1/2+z,1/2-x " "-y,1/2-x,1/2+z y,1/2+x,1/2+z -y,1/2+x,1/2-z y,1/2-x,1/2-z -x,1/2-z,1/2+y " "x,1/2-z,1/2-y x,1/2+z,1/2+y -x,1/2+z,1/2-y -z,1/2-y,1/2+x -z,1/2+y,1/2-x " "z,1/2-y,1/2-x z,1/2+y,1/2+x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y " "1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x 1/2+y,x,1/2-z " "1/2-y,-x,1/2-z 1/2+y,-x,1/2+z 1/2-y,x,1/2+z 1/2+x,z,1/2-y 1/2-x,z,1/2+y " "1/2-x,-z,1/2-y 1/2+x,-z,1/2+y 1/2+z,y,1/2-x 1/2+z,-y,1/2+x 1/2-z,y,1/2+x " "1/2-z,-y,1/2-x 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z " "1/2-z,-x,1/2-y 1/2-z,x,1/2+y 1/2+z,x,1/2-y 1/2+z,-x,1/2+y 1/2-y,-z,1/2-x " "1/2+y,-z,1/2+x 1/2-y,z,1/2+x 1/2+y,z,1/2-x 1/2-y,-x,1/2+z 1/2+y,x,1/2+z " "1/2-y,x,1/2-z 1/2+y,-x,1/2-z 1/2-x,-z,1/2+y 1/2+x,-z,1/2-y 1/2+x,z,1/2+y " "1/2-x,z,1/2-y 1/2-z,-y,1/2+x 1/2-z,y,1/2-x 1/2+z,-y,1/2-x 1/2+z,y,1/2+x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z 1/2+y,1/2-x,z " "1/2-y,1/2+x,z 1/2+x,1/2+z,-y 1/2-x,1/2+z,y 1/2-x,1/2-z,-y 1/2+x,1/2-z,y " "1/2+z,1/2+y,-x 1/2+z,1/2-y,x 1/2-z,1/2+y,x 1/2-z,1/2-y,-x 1/2-x,1/2-y,-z " "1/2+x,1/2+y,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-z,1/2-x,-y 1/2-z,1/2+x,y " "1/2+z,1/2+x,-y 1/2+z,1/2-x,y 1/2-y,1/2-z,-x 1/2+y,1/2-z,x 1/2-y,1/2+z,x " "1/2+y,1/2+z,-x 1/2-y,1/2-x,z 1/2+y,1/2+x,z 1/2-y,1/2+x,-z 1/2+y,1/2-x,-z " "1/2-x,1/2-z,y 1/2+x,1/2-z,-y 1/2+x,1/2+z,y 1/2-x,1/2+z,-y 1/2-z,1/2-y,x " "1/2-z,1/2+y,-x 1/2+z,1/2-y,-x 1/2+z,1/2+y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2-x,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y 1/2-x,1/2-z,1/2-y " "1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x 1/2-z,1/2+y,1/2+x " "1/2-z,1/2-y,1/2-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y " "z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z " "1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2-z 1/2-x,1/2-z,1/2+y 1/2+x,1/2-z,1/2-y " "1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-z,1/2-y,1/2+x 1/2-z,1/2+y,1/2-x " "1/2+z,1/2-y,1/2-x 1/2+z,1/2+y,1/2+x x,1/2+y,1/2+z -x,1/2-y,1/2+z " "-x,1/2+y,1/2-z x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y " "-z,1/2+x,1/2-y y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x " "1/2+y,x,-z 1/2-y,-x,-z 1/2+y,-x,z 1/2-y,x,z 1/2+x,z,-y 1/2-x,z,y " "1/2-x,-z,-y 1/2+x,-z,y 1/2+z,y,-x 1/2+z,-y,x 1/2-z,y,x 1/2-z,-y,-x " "-x,1/2-y,1/2-z x,1/2+y,1/2-z x,1/2-y,1/2+z -x,1/2+y,1/2+z -z,1/2-x,1/2-y " "-z,1/2+x,1/2+y z,1/2+x,1/2-y z,1/2-x,1/2+y -y,1/2-z,1/2-x y,1/2-z,1/2+x " "-y,1/2+z,1/2+x y,1/2+z,1/2-x 1/2-y,-x,z 1/2+y,x,z 1/2-y,x,-z 1/2+y,-x,-z " "1/2-x,-z,y 1/2+x,-z,-y 1/2+x,z,y 1/2-x,z,-y 1/2-z,-y,x 1/2-z,y,-x " "1/2+z,-y,-x 1/2+z,y,x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y " "1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x y,1/2+x,-z " "-y,1/2-x,-z y,1/2-x,z -y,1/2+x,z x,1/2+z,-y -x,1/2+z,y -x,1/2-z,-y " "x,1/2-z,y z,1/2+y,-x z,1/2-y,x -z,1/2+y,x -z,1/2-y,-x 1/2-x,-y,1/2-z " "1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z 1/2-z,-x,1/2-y 1/2-z,x,1/2+y " "1/2+z,x,1/2-y 1/2+z,-x,1/2+y 1/2-y,-z,1/2-x 1/2+y,-z,1/2+x 1/2-y,z,1/2+x " "1/2+y,z,1/2-x -y,1/2-x,z y,1/2+x,z -y,1/2+x,-z y,1/2-x,-z -x,1/2-z,y " "x,1/2-z,-y x,1/2+z,y -x,1/2+z,-y -z,1/2-y,x -z,1/2+y,-x z,1/2-y,-x " "z,1/2+y,x 1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "1/2+z,1/2+x,y 1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x " "1/2-y,1/2+z,-x 1/2+y,1/2-z,-x 1/2-y,1/2-z,x y,x,1/2-z -y,-x,1/2-z " "y,-x,1/2+z -y,x,1/2+z x,z,1/2-y -x,z,1/2+y -x,-z,1/2-y x,-z,1/2+y z,y,1/2-x " "z,-y,1/2+x -z,y,1/2+x -z,-y,1/2-x 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-z,1/2-x,-y 1/2-z,1/2+x,y 1/2+z,1/2+x,-y " "1/2+z,1/2-x,y 1/2-y,1/2-z,-x 1/2+y,1/2-z,x 1/2-y,1/2+z,x 1/2+y,1/2+z,-x " "-y,-x,1/2+z y,x,1/2+z -y,x,1/2-z y,-x,1/2-z -x,-z,1/2+y x,-z,1/2-y " "x,z,1/2+y -x,z,1/2-y -z,-y,1/2+x -z,y,1/2-x z,-y,1/2-x z,y,1/2+x", "x,y,z -x,1/2-y,1/2+z 1/2-x,1/2+y,-z 1/2+x,-y,1/2-z z,x,y 1/2+z,-x,1/2-y " "-z,1/2-x,1/2+y 1/2-z,1/2+x,-y y,z,x 1/2-y,1/2+z,-x 1/2+y,-z,1/2-x " "-y,1/2-z,1/2+x 3/4+y,1/4+x,3/4-z 1/4-y,1/4-x,1/4-z 1/4+y,3/4-x,3/4+z " "3/4-y,3/4+x,1/4+z 3/4+x,1/4+z,3/4-y 3/4-x,3/4+z,1/4+y 1/4-x,1/4-z,1/4-y " "1/4+x,3/4-z,3/4+y 3/4+z,1/4+y,3/4-x 1/4+z,3/4-y,3/4+x 3/4-z,3/4+y,1/4+x " "1/4-z,1/4-y,1/4-x 1/4-x,1/4-y,1/4-z 1/4+x,3/4+y,3/4-z 3/4+x,3/4-y,1/4+z " "3/4-x,1/4+y,3/4+z 1/4-z,1/4-x,1/4-y 3/4-z,1/4+x,3/4+y 1/4+z,3/4+x,3/4-y " "3/4+z,3/4-x,1/4+y 1/4-y,1/4-z,1/4-x 3/4+y,3/4-z,1/4+x 3/4-y,1/4+z,3/4+x " "1/4+y,3/4+z,3/4-x 1/2-y,-x,1/2+z y,x,z -y,1/2+x,1/2-z 1/2+y,1/2-x,-z " "1/2-x,-z,1/2+y 1/2+x,1/2-z,-y x,z,y -x,1/2+z,1/2-y 1/2-z,-y,1/2+x " "-z,1/2+y,1/2-x 1/2+z,1/2-y,-x z,y,x x,1/2+y,1/2+z -x,-y,z 1/2-x,y,1/2-z " "1/2+x,1/2-y,-z z,1/2+x,1/2+y 1/2+z,1/2-x,-y -z,-x,y 1/2-z,x,1/2-y " "y,1/2+z,1/2+x 1/2-y,z,1/2-x 1/2+y,1/2-z,-x -y,-z,x 3/4+y,3/4+x,1/4-z " "1/4-y,3/4-x,3/4-z 1/4+y,1/4-x,1/4+z 3/4-y,1/4+x,3/4+z 3/4+x,3/4+z,1/4-y " "3/4-x,1/4+z,3/4+y 1/4-x,3/4-z,3/4-y 1/4+x,1/4-z,1/4+y 3/4+z,3/4+y,1/4-x " "1/4+z,1/4-y,1/4+x 3/4-z,1/4+y,3/4+x 1/4-z,3/4-y,3/4-x 1/4-x,3/4-y,3/4-z " "1/4+x,1/4+y,1/4-z 3/4+x,1/4-y,3/4+z 3/4-x,3/4+y,1/4+z 1/4-z,3/4-x,3/4-y " "3/4-z,3/4+x,1/4+y 1/4+z,1/4+x,1/4-y 3/4+z,1/4-x,3/4+y 1/4-y,3/4-z,3/4-x " "3/4+y,1/4-z,3/4+x 3/4-y,3/4+z,1/4+x 1/4+y,1/4+z,1/4-x 1/2-y,1/2-x,z " "y,1/2+x,1/2+z -y,x,-z 1/2+y,-x,1/2-z 1/2-x,1/2-z,y 1/2+x,-z,1/2-y " "x,1/2+z,1/2+y -x,z,-y 1/2-z,1/2-y,x -z,y,-x 1/2+z,-y,1/2-x z,1/2+y,1/2+x " "1/2+x,y,1/2+z 1/2-x,1/2-y,z -x,1/2+y,1/2-z x,-y,-z 1/2+z,x,1/2+y z,-x,-y " "1/2-z,1/2-x,y -z,1/2+x,1/2-y 1/2+y,z,1/2+x -y,1/2+z,1/2-x y,-z,-x " "1/2-y,1/2-z,x 1/4+y,1/4+x,1/4-z 3/4-y,1/4-x,3/4-z 3/4+y,3/4-x,1/4+z " "1/4-y,3/4+x,3/4+z 1/4+x,1/4+z,1/4-y 1/4-x,3/4+z,3/4+y 3/4-x,1/4-z,3/4-y " "3/4+x,3/4-z,1/4+y 1/4+z,1/4+y,1/4-x 3/4+z,3/4-y,1/4+x 1/4-z,3/4+y,3/4+x " "3/4-z,1/4-y,3/4-x 3/4-x,1/4-y,3/4-z 3/4+x,3/4+y,1/4-z 1/4+x,3/4-y,3/4+z " "1/4-x,1/4+y,1/4+z 3/4-z,1/4-x,3/4-y 1/4-z,1/4+x,1/4+y 3/4+z,3/4+x,1/4-y " "1/4+z,3/4-x,3/4+y 3/4-y,1/4-z,3/4-x 1/4+y,3/4-z,3/4+x 1/4-y,1/4+z,1/4+x " "3/4+y,3/4+z,1/4-x -y,-x,z 1/2+y,x,1/2+z 1/2-y,1/2+x,-z y,1/2-x,1/2-z " "-x,-z,y x,1/2-z,1/2-y 1/2+x,z,1/2+y 1/2-x,1/2+z,-y -z,-y,x 1/2-z,1/2+y,-x " "z,1/2-y,1/2-x 1/2+z,y,1/2+x 1/2+x,1/2+y,z 1/2-x,-y,1/2+z -x,y,-z " "x,1/2-y,1/2-z 1/2+z,1/2+x,y z,1/2-x,1/2-y 1/2-z,-x,1/2+y -z,x,-y " "1/2+y,1/2+z,x -y,z,-x y,1/2-z,1/2-x 1/2-y,-z,1/2+x 1/4+y,3/4+x,3/4-z " "3/4-y,3/4-x,1/4-z 3/4+y,1/4-x,3/4+z 1/4-y,1/4+x,1/4+z 1/4+x,3/4+z,3/4-y " "1/4-x,1/4+z,1/4+y 3/4-x,3/4-z,1/4-y 3/4+x,1/4-z,3/4+y 1/4+z,3/4+y,3/4-x " "3/4+z,1/4-y,3/4+x 1/4-z,1/4+y,1/4+x 3/4-z,3/4-y,1/4-x 3/4-x,3/4-y,1/4-z " "3/4+x,1/4+y,3/4-z 1/4+x,1/4-y,1/4+z 1/4-x,3/4+y,3/4+z 3/4-z,3/4-x,1/4-y " "1/4-z,3/4+x,3/4+y 3/4+z,1/4+x,3/4-y 1/4+z,1/4-x,1/4+y 3/4-y,3/4-z,1/4-x " "1/4+y,1/4-z,1/4+x 1/4-y,3/4+z,3/4+x 3/4+y,1/4+z,3/4-x -y,1/2-x,1/2+z " "1/2+y,1/2+x,z 1/2-y,x,1/2-z y,-x,-z -x,1/2-z,1/2+y x,-z,-y 1/2+x,1/2+z,y " "1/2-x,z,1/2-y -z,1/2-y,1/2+x 1/2-z,y,1/2-x z,-y,-x 1/2+z,1/2+y,x", "x,y,z 3/4-x,1/4-y,1/2+z 1/4-x,1/2+y,3/4-z 1/2+x,3/4-y,1/4-z z,x,y " "1/2+z,3/4-x,1/4-y 3/4-z,1/4-x,1/2+y 1/4-z,1/2+x,3/4-y y,z,x " "1/4-y,1/2+z,3/4-x 1/2+y,3/4-z,1/4-x 3/4-y,1/4-z,1/2+x 3/4+y,1/4+x,1/2-z " "-y,-x,-z 1/4+y,1/2-x,3/4+z 1/2-y,3/4+x,1/4+z 3/4+x,1/4+z,1/2-y " "1/2-x,3/4+z,1/4+y -x,-z,-y 1/4+x,1/2-z,3/4+y 3/4+z,1/4+y,1/2-x " "1/4+z,1/2-y,3/4+x 1/2-z,3/4+y,1/4+x -z,-y,-x -x,-y,-z 1/4+x,3/4+y,1/2-z " "3/4+x,1/2-y,1/4+z 1/2-x,1/4+y,3/4+z -z,-x,-y 1/2-z,1/4+x,3/4+y " "1/4+z,3/4+x,1/2-y 3/4+z,1/2-x,1/4+y -y,-z,-x 3/4+y,1/2-z,1/4+x " "1/2-y,1/4+z,3/4+x 1/4+y,3/4+z,1/2-x 1/4-y,3/4-x,1/2+z y,x,z " "3/4-y,1/2+x,1/4-z 1/2+y,1/4-x,3/4-z 1/4-x,3/4-z,1/2+y 1/2+x,1/4-z,3/4-y " "x,z,y 3/4-x,1/2+z,1/4-y 1/4-z,3/4-y,1/2+x 3/4-z,1/2+y,1/4-x " "1/2+z,1/4-y,3/4-x z,y,x x,1/2+y,1/2+z 3/4-x,3/4-y,z 1/4-x,y,1/4-z " "1/2+x,1/4-y,3/4-z z,1/2+x,1/2+y 1/2+z,1/4-x,3/4-y 3/4-z,3/4-x,y " "1/4-z,x,1/4-y y,1/2+z,1/2+x 1/4-y,z,1/4-x 1/2+y,1/4-z,3/4-x 3/4-y,3/4-z,x " "3/4+y,3/4+x,-z -y,1/2-x,1/2-z 1/4+y,-x,1/4+z 1/2-y,1/4+x,3/4+z " "3/4+x,3/4+z,-y 1/2-x,1/4+z,3/4+y -x,1/2-z,1/2-y 1/4+x,-z,1/4+y " "3/4+z,3/4+y,-x 1/4+z,-y,1/4+x 1/2-z,1/4+y,3/4+x -z,1/2-y,1/2-x " "-x,1/2-y,1/2-z 1/4+x,1/4+y,-z 3/4+x,-y,3/4+z 1/2-x,3/4+y,1/4+z " "-z,1/2-x,1/2-y 1/2-z,3/4+x,1/4+y 1/4+z,1/4+x,-y 3/4+z,-x,3/4+y " "-y,1/2-z,1/2-x 3/4+y,-z,3/4+x 1/2-y,3/4+z,1/4+x 1/4+y,1/4+z,-x " "1/4-y,1/4-x,z y,1/2+x,1/2+z 3/4-y,x,3/4-z 1/2+y,3/4-x,1/4-z 1/4-x,1/4-z,y " "1/2+x,3/4-z,1/4-y x,1/2+z,1/2+y 3/4-x,z,3/4-y 1/4-z,1/4-y,x 3/4-z,y,3/4-x " "1/2+z,3/4-y,1/4-x z,1/2+y,1/2+x 1/2+x,y,1/2+z 1/4-x,1/4-y,z " "3/4-x,1/2+y,1/4-z x,3/4-y,3/4-z 1/2+z,x,1/2+y z,3/4-x,3/4-y 1/4-z,1/4-x,y " "3/4-z,1/2+x,1/4-y 1/2+y,z,1/2+x 3/4-y,1/2+z,1/4-x y,3/4-z,3/4-x " "1/4-y,1/4-z,x 1/4+y,1/4+x,-z 1/2-y,-x,1/2-z 3/4+y,1/2-x,1/4+z " "-y,3/4+x,3/4+z 1/4+x,1/4+z,-y -x,3/4+z,3/4+y 1/2-x,-z,1/2-y " "3/4+x,1/2-z,1/4+y 1/4+z,1/4+y,-x 3/4+z,1/2-y,1/4+x -z,3/4+y,3/4+x " "1/2-z,-y,1/2-x 1/2-x,-y,1/2-z 3/4+x,3/4+y,-z 1/4+x,1/2-y,3/4+z " "-x,1/4+y,1/4+z 1/2-z,-x,1/2-y -z,1/4+x,1/4+y 3/4+z,3/4+x,-y " "1/4+z,1/2-x,3/4+y 1/2-y,-z,1/2-x 1/4+y,1/2-z,3/4+x -y,1/4+z,1/4+x " "3/4+y,3/4+z,-x 3/4-y,3/4-x,z 1/2+y,x,1/2+z 1/4-y,1/2+x,3/4-z y,1/4-x,1/4-z " "3/4-x,3/4-z,y x,1/4-z,1/4-y 1/2+x,z,1/2+y 1/4-x,1/2+z,3/4-y 3/4-z,3/4-y,x " "1/4-z,1/2+y,3/4-x z,1/4-y,1/4-x 1/2+z,y,1/2+x 1/2+x,1/2+y,z " "1/4-x,3/4-y,1/2+z 3/4-x,y,3/4-z x,1/4-y,1/4-z 1/2+z,1/2+x,y z,1/4-x,1/4-y " "1/4-z,3/4-x,1/2+y 3/4-z,x,3/4-y 1/2+y,1/2+z,x 3/4-y,z,3/4-x y,1/4-z,1/4-x " "1/4-y,3/4-z,1/2+x 1/4+y,3/4+x,1/2-z 1/2-y,1/2-x,-z 3/4+y,-x,3/4+z " "-y,1/4+x,1/4+z 1/4+x,3/4+z,1/2-y -x,1/4+z,1/4+y 1/2-x,1/2-z,-y " "3/4+x,-z,3/4+y 1/4+z,3/4+y,1/2-x 3/4+z,-y,3/4+x -z,1/4+y,1/4+x " "1/2-z,1/2-y,-x 1/2-x,1/2-y,-z 3/4+x,1/4+y,1/2-z 1/4+x,-y,1/4+z " "-x,3/4+y,3/4+z 1/2-z,1/2-x,-y -z,3/4+x,3/4+y 3/4+z,1/4+x,1/2-y " "1/4+z,-x,1/4+y 1/2-y,1/2-z,-x 1/4+y,-z,1/4+x -y,3/4+z,3/4+x " "3/4+y,1/4+z,1/2-x 3/4-y,1/4-x,1/2+z 1/2+y,1/2+x,z 1/4-y,x,1/4-z " "y,3/4-x,3/4-z 3/4-x,1/4-z,1/2+y x,3/4-z,3/4-y 1/2+x,1/2+z,y 1/4-x,z,1/4-y " "3/4-z,1/4-y,1/2+x 1/4-z,y,1/4-x z,3/4-y,3/4-x 1/2+z,1/2+y,x", "x,y,z -x,1/2-y,1/2+z 1/2-x,1/2+y,-z 1/2+x,-y,1/2-z z,x,y 1/2+z,-x,1/2-y " "-z,1/2-x,1/2+y 1/2-z,1/2+x,-y y,z,x 1/2-y,1/2+z,-x 1/2+y,-z,1/2-x " "-y,1/2-z,1/2+x 3/4+y,1/4+x,3/4-z 1/4-y,1/4-x,1/4-z 1/4+y,3/4-x,3/4+z " "3/4-y,3/4+x,1/4+z 3/4+x,1/4+z,3/4-y 3/4-x,3/4+z,1/4+y 1/4-x,1/4-z,1/4-y " "1/4+x,3/4-z,3/4+y 3/4+z,1/4+y,3/4-x 1/4+z,3/4-y,3/4+x 3/4-z,3/4+y,1/4+x " "1/4-z,1/4-y,1/4-x 3/4-x,3/4-y,3/4-z 3/4+x,1/4+y,1/4-z 1/4+x,1/4-y,3/4+z " "1/4-x,3/4+y,1/4+z 3/4-z,3/4-x,3/4-y 1/4-z,3/4+x,1/4+y 3/4+z,1/4+x,1/4-y " "1/4+z,1/4-x,3/4+y 3/4-y,3/4-z,3/4-x 1/4+y,1/4-z,3/4+x 1/4-y,3/4+z,1/4+x " "3/4+y,1/4+z,1/4-x -y,1/2-x,z 1/2+y,1/2+x,1/2+z 1/2-y,x,-z y,-x,1/2-z " "-x,1/2-z,y x,-z,1/2-y 1/2+x,1/2+z,1/2+y 1/2-x,z,-y -z,1/2-y,x 1/2-z,y,-x " "z,-y,1/2-x 1/2+z,1/2+y,1/2+x x,1/2+y,1/2+z -x,-y,z 1/2-x,y,1/2-z " "1/2+x,1/2-y,-z z,1/2+x,1/2+y 1/2+z,1/2-x,-y -z,-x,y 1/2-z,x,1/2-y " "y,1/2+z,1/2+x 1/2-y,z,1/2-x 1/2+y,1/2-z,-x -y,-z,x 3/4+y,3/4+x,1/4-z " "1/4-y,3/4-x,3/4-z 1/4+y,1/4-x,1/4+z 3/4-y,1/4+x,3/4+z 3/4+x,3/4+z,1/4-y " "3/4-x,1/4+z,3/4+y 1/4-x,3/4-z,3/4-y 1/4+x,1/4-z,1/4+y 3/4+z,3/4+y,1/4-x " "1/4+z,1/4-y,1/4+x 3/4-z,1/4+y,3/4+x 1/4-z,3/4-y,3/4-x 3/4-x,1/4-y,1/4-z " "3/4+x,3/4+y,3/4-z 1/4+x,3/4-y,1/4+z 1/4-x,1/4+y,3/4+z 3/4-z,1/4-x,1/4-y " "1/4-z,1/4+x,3/4+y 3/4+z,3/4+x,3/4-y 1/4+z,3/4-x,1/4+y 3/4-y,1/4-z,1/4-x " "1/4+y,3/4-z,1/4+x 1/4-y,1/4+z,3/4+x 3/4+y,3/4+z,3/4-x -y,-x,1/2+z 1/2+y,x,z " "1/2-y,1/2+x,1/2-z y,1/2-x,-z -x,-z,1/2+y x,1/2-z,-y 1/2+x,z,y " "1/2-x,1/2+z,1/2-y -z,-y,1/2+x 1/2-z,1/2+y,1/2-x z,1/2-y,-x 1/2+z,y,x " "1/2+x,y,1/2+z 1/2-x,1/2-y,z -x,1/2+y,1/2-z x,-y,-z 1/2+z,x,1/2+y z,-x,-y " "1/2-z,1/2-x,y -z,1/2+x,1/2-y 1/2+y,z,1/2+x -y,1/2+z,1/2-x y,-z,-x " "1/2-y,1/2-z,x 1/4+y,1/4+x,1/4-z 3/4-y,1/4-x,3/4-z 3/4+y,3/4-x,1/4+z " "1/4-y,3/4+x,3/4+z 1/4+x,1/4+z,1/4-y 1/4-x,3/4+z,3/4+y 3/4-x,1/4-z,3/4-y " "3/4+x,3/4-z,1/4+y 1/4+z,1/4+y,1/4-x 3/4+z,3/4-y,1/4+x 1/4-z,3/4+y,3/4+x " "3/4-z,1/4-y,3/4-x 1/4-x,3/4-y,1/4-z 1/4+x,1/4+y,3/4-z 3/4+x,1/4-y,1/4+z " "3/4-x,3/4+y,3/4+z 1/4-z,3/4-x,1/4-y 3/4-z,3/4+x,3/4+y 1/4+z,1/4+x,3/4-y " "3/4+z,1/4-x,1/4+y 1/4-y,3/4-z,1/4-x 3/4+y,1/4-z,1/4+x 3/4-y,3/4+z,3/4+x " "1/4+y,1/4+z,3/4-x 1/2-y,1/2-x,1/2+z y,1/2+x,z -y,x,1/2-z 1/2+y,-x,-z " "1/2-x,1/2-z,1/2+y 1/2+x,-z,-y x,1/2+z,y -x,z,1/2-y 1/2-z,1/2-y,1/2+x " "-z,y,1/2-x 1/2+z,-y,-x z,1/2+y,x 1/2+x,1/2+y,z 1/2-x,-y,1/2+z -x,y,-z " "x,1/2-y,1/2-z 1/2+z,1/2+x,y z,1/2-x,1/2-y 1/2-z,-x,1/2+y -z,x,-y " "1/2+y,1/2+z,x -y,z,-x y,1/2-z,1/2-x 1/2-y,-z,1/2+x 1/4+y,3/4+x,3/4-z " "3/4-y,3/4-x,1/4-z 3/4+y,1/4-x,3/4+z 1/4-y,1/4+x,1/4+z 1/4+x,3/4+z,3/4-y " "1/4-x,1/4+z,1/4+y 3/4-x,3/4-z,1/4-y 3/4+x,1/4-z,3/4+y 1/4+z,3/4+y,3/4-x " "3/4+z,1/4-y,3/4+x 1/4-z,1/4+y,1/4+x 3/4-z,3/4-y,1/4-x 1/4-x,1/4-y,3/4-z " "1/4+x,3/4+y,1/4-z 3/4+x,3/4-y,3/4+z 3/4-x,1/4+y,1/4+z 1/4-z,1/4-x,3/4-y " "3/4-z,1/4+x,1/4+y 1/4+z,3/4+x,1/4-y 3/4+z,3/4-x,3/4+y 1/4-y,1/4-z,3/4-x " "3/4+y,3/4-z,3/4+x 3/4-y,1/4+z,1/4+x 1/4+y,3/4+z,1/4-x 1/2-y,-x,z y,x,1/2+z " "-y,1/2+x,-z 1/2+y,1/2-x,1/2-z 1/2-x,-z,y 1/2+x,1/2-z,1/2-y x,z,1/2+y " "-x,1/2+z,-y 1/2-z,-y,x -z,1/2+y,-x 1/2+z,1/2-y,1/2-x z,y,1/2+x", "x,y,z 1/4-x,3/4-y,1/2+z 3/4-x,1/2+y,1/4-z 1/2+x,1/4-y,3/4-z z,x,y " "1/2+z,1/4-x,3/4-y 1/4-z,3/4-x,1/2+y 3/4-z,1/2+x,1/4-y y,z,x " "3/4-y,1/2+z,1/4-x 1/2+y,1/4-z,3/4-x 1/4-y,3/4-z,1/2+x 3/4+y,1/4+x,-z " "1/2-y,1/2-x,1/2-z 1/4+y,-x,3/4+z -y,3/4+x,1/4+z 3/4+x,1/4+z,-y " "-x,3/4+z,1/4+y 1/2-x,1/2-z,1/2-y 1/4+x,-z,3/4+y 3/4+z,1/4+y,-x " "1/4+z,-y,3/4+x -z,3/4+y,1/4+x 1/2-z,1/2-y,1/2-x -x,-y,-z 3/4+x,1/4+y,1/2-z " "1/4+x,1/2-y,3/4+z 1/2-x,3/4+y,1/4+z -z,-x,-y 1/2-z,3/4+x,1/4+y " "3/4+z,1/4+x,1/2-y 1/4+z,1/2-x,3/4+y -y,-z,-x 1/4+y,1/2-z,3/4+x " "1/2-y,3/4+z,1/4+x 3/4+y,1/4+z,1/2-x 1/4-y,3/4-x,z 1/2+y,1/2+x,1/2+z " "3/4-y,x,1/4-z y,1/4-x,3/4-z 1/4-x,3/4-z,y x,1/4-z,3/4-y 1/2+x,1/2+z,1/2+y " "3/4-x,z,1/4-y 1/4-z,3/4-y,x 3/4-z,y,1/4-x z,1/4-y,3/4-x 1/2+z,1/2+y,1/2+x " "x,1/2+y,1/2+z 1/4-x,1/4-y,z 3/4-x,y,3/4-z 1/2+x,3/4-y,1/4-z z,1/2+x,1/2+y " "1/2+z,3/4-x,1/4-y 1/4-z,1/4-x,y 3/4-z,x,3/4-y y,1/2+z,1/2+x 3/4-y,z,3/4-x " "1/2+y,3/4-z,1/4-x 1/4-y,1/4-z,x 3/4+y,3/4+x,1/2-z 1/2-y,-x,-z " "1/4+y,1/2-x,1/4+z -y,1/4+x,3/4+z 3/4+x,3/4+z,1/2-y -x,1/4+z,3/4+y " "1/2-x,-z,-y 1/4+x,1/2-z,1/4+y 3/4+z,3/4+y,1/2-x 1/4+z,1/2-y,1/4+x " "-z,1/4+y,3/4+x 1/2-z,-y,-x -x,1/2-y,1/2-z 3/4+x,3/4+y,-z 1/4+x,-y,1/4+z " "1/2-x,1/4+y,3/4+z -z,1/2-x,1/2-y 1/2-z,1/4+x,3/4+y 3/4+z,3/4+x,-y " "1/4+z,-x,1/4+y -y,1/2-z,1/2-x 1/4+y,-z,1/4+x 1/2-y,1/4+z,3/4+x " "3/4+y,3/4+z,-x 1/4-y,1/4-x,1/2+z 1/2+y,x,z 3/4-y,1/2+x,3/4-z y,3/4-x,1/4-z " "1/4-x,1/4-z,1/2+y x,3/4-z,1/4-y 1/2+x,z,y 3/4-x,1/2+z,3/4-y " "1/4-z,1/4-y,1/2+x 3/4-z,1/2+y,3/4-x z,3/4-y,1/4-x 1/2+z,y,x 1/2+x,y,1/2+z " "3/4-x,3/4-y,z 1/4-x,1/2+y,3/4-z x,1/4-y,1/4-z 1/2+z,x,1/2+y z,1/4-x,1/4-y " "3/4-z,3/4-x,y 1/4-z,1/2+x,3/4-y 1/2+y,z,1/2+x 1/4-y,1/2+z,3/4-x " "y,1/4-z,1/4-x 3/4-y,3/4-z,x 1/4+y,1/4+x,1/2-z -y,1/2-x,-z 3/4+y,-x,1/4+z " "1/2-y,3/4+x,3/4+z 1/4+x,1/4+z,1/2-y 1/2-x,3/4+z,3/4+y -x,1/2-z,-y " "3/4+x,-z,1/4+y 1/4+z,1/4+y,1/2-x 3/4+z,-y,1/4+x 1/2-z,3/4+y,3/4+x " "-z,1/2-y,-x 1/2-x,-y,1/2-z 1/4+x,1/4+y,-z 3/4+x,1/2-y,1/4+z -x,3/4+y,3/4+z " "1/2-z,-x,1/2-y -z,3/4+x,3/4+y 1/4+z,1/4+x,-y 3/4+z,1/2-x,1/4+y " "1/2-y,-z,1/2-x 3/4+y,1/2-z,1/4+x -y,3/4+z,3/4+x 1/4+y,1/4+z,-x " "3/4-y,3/4-x,1/2+z y,1/2+x,z 1/4-y,x,3/4-z 1/2+y,1/4-x,1/4-z " "3/4-x,3/4-z,1/2+y 1/2+x,1/4-z,1/4-y x,1/2+z,y 1/4-x,z,3/4-y " "3/4-z,3/4-y,1/2+x 1/4-z,y,3/4-x 1/2+z,1/4-y,1/4-x z,1/2+y,x 1/2+x,1/2+y,z " "3/4-x,1/4-y,1/2+z 1/4-x,y,1/4-z x,3/4-y,3/4-z 1/2+z,1/2+x,y z,3/4-x,3/4-y " "3/4-z,1/4-x,1/2+y 1/4-z,x,1/4-y 1/2+y,1/2+z,x 1/4-y,z,1/4-x y,3/4-z,3/4-x " "3/4-y,1/4-z,1/2+x 1/4+y,3/4+x,-z -y,-x,1/2-z 3/4+y,1/2-x,3/4+z " "1/2-y,1/4+x,1/4+z 1/4+x,3/4+z,-y 1/2-x,1/4+z,1/4+y -x,-z,1/2-y " "3/4+x,1/2-z,3/4+y 1/4+z,3/4+y,-x 3/4+z,1/2-y,3/4+x 1/2-z,1/4+y,1/4+x " "-z,-y,1/2-x 1/2-x,1/2-y,-z 1/4+x,3/4+y,1/2-z 3/4+x,-y,3/4+z -x,1/4+y,1/4+z " "1/2-z,1/2-x,-y -z,1/4+x,1/4+y 1/4+z,3/4+x,1/2-y 3/4+z,-x,3/4+y " "1/2-y,1/2-z,-x 3/4+y,-z,3/4+x -y,1/4+z,1/4+x 1/4+y,3/4+z,1/2-x " "3/4-y,1/4-x,z y,x,1/2+z 1/4-y,1/2+x,1/4-z 1/2+y,3/4-x,3/4-z 3/4-x,1/4-z,y " "1/2+x,3/4-z,3/4-y x,z,1/2+y 1/4-x,1/2+z,1/4-y 3/4-z,1/4-y,x " "1/4-z,1/2+y,1/4-x 1/2+z,3/4-y,3/4-x z,y,1/2+x", "x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y " "-z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x " "-z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z " "-y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y " "x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x " "x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 " "x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 " "-y+1/2,-x+1/2,-z+1/2 z+1/2,x+1/2,y+1/2 -x+1/2,z+1/2,y+1/2 " "-z+1/2,-x+1/2,y+1/2 x+1/2,-z+1/2,y+1/2 z+1/2,-x+1/2,-y+1/2 " "x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,-y+1/2 -x+1/2,-z+1/2,-y+1/2 " "y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 z+1/2,y+1/2,-x+1/2 " "-y+1/2,z+1/2,-x+1/2 -z+1/2,-y+1/2,-x+1/2 -y+1/2,-z+1/2,x+1/2 " "z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,x+1/2 -x+1/2,-y+1/2,-z+1/2 " "y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 " "-x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+1/2,z+1/2 " "-z+1/2,-x+1/2,-y+1/2 x+1/2,-z+1/2,-y+1/2 z+1/2,x+1/2,-y+1/2 " "-x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,y+1/2 -x+1/2,-z+1/2,y+1/2 " "z+1/2,-x+1/2,y+1/2 x+1/2,z+1/2,y+1/2 -y+1/2,-z+1/2,-x+1/2 " "-y+1/2,z+1/2,x+1/2 -z+1/2,-y+1/2,x+1/2 y+1/2,-z+1/2,x+1/2 z+1/2,y+1/2,x+1/2 " "y+1/2,z+1/2,-x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+1/2", "x,y,z 1/2+x,1/2+y,1/2+z z,1/2-x,1/2+y 1/2+z,-x,y -y,1/2+z,1/2-x 1/2-y,z,-x " "x,1/2-y,1/2+z 1/2+x,-y,z -z,1/2+x,1/2-y 1/2-z,x,-y y,1/2-z,1/2+x 1/2+y,-z,x " "-x,1/2+y,1/2-z 1/2-x,y,-z 3/4+x,1/4-z,3/4-y 1/4+x,3/4-z,1/4-y " "3/4-z,1/4+y,3/4+x 1/4-z,3/4+y,1/4+x 3/4+y,1/4-x,3/4-z 1/4+y,3/4-x,1/4-z " "3/4-x,1/4+z,3/4+y 1/4-x,3/4+z,1/4+y 3/4+z,1/4-y,3/4-x 1/4+z,3/4-y,1/4-x " "3/4-y,1/4+x,3/4+z 1/4-y,3/4+x,1/4+z 1/4+x,1/4+z,1/4+y 3/4+x,3/4+z,3/4+y " "1/4-z,1/4-y,1/4-x 3/4-z,3/4-y,3/4-x 1/4+y,1/4+x,1/4+z 3/4+y,3/4+x,3/4+z " "1/4-x,1/4-z,1/4-y 3/4-x,3/4-z,3/4-y 1/4+z,1/4+y,1/4+x 3/4+z,3/4+y,3/4+x " "1/4-y,1/4-x,1/4-z 3/4-y,3/4-x,3/4-z 1/2+z,x,1/2-y z,1/2+x,-y 1/2-y,-z,1/2+x " "-y,1/2-z,x 1/2+x,y,1/2-z x,1/2+y,-z 1/2-z,-x,1/2+y -z,1/2-x,y 1/2+y,z,1/2-x " "y,1/2+z,-x 1/2-x,-y,1/2+z -x,1/2-y,z 1/2-z,1/2+x,y -z,x,1/2+y " "1/2+y,1/2-z,-x y,-z,1/2-x 1/2-x,1/2+y,z -x,y,1/2+z 1/2+z,1/2-x,-y " "z,-x,1/2-y 1/2-y,1/2+z,x -y,z,1/2+x 1/2+x,1/2-y,-z x,-y,1/2-z " "3/4-x,3/4+z,1/4-y 1/4-x,1/4+z,3/4-y 3/4+z,3/4-y,1/4+x 1/4+z,1/4-y,3/4+x " "3/4-y,3/4+x,1/4-z 1/4-y,1/4+x,3/4-z 3/4+x,3/4-z,1/4+y 1/4+x,1/4-z,3/4+y " "3/4-z,3/4+y,1/4-x 1/4-z,1/4+y,3/4-x 3/4+y,3/4-x,1/4+z 1/4+y,1/4-x,3/4+z " "1/4-x,3/4-z,3/4+y 3/4-x,1/4-z,1/4+y 1/4+z,3/4+y,3/4-x 3/4+z,1/4+y,1/4-x " "1/4-y,3/4-x,3/4+z 3/4-y,1/4-x,1/4+z 1/4+x,3/4+z,3/4-y 3/4+x,1/4+z,1/4-y " "1/4-z,3/4-y,3/4+x 3/4-z,1/4-y,1/4+x 1/4+y,3/4+x,3/4-z 3/4+y,1/4+x,1/4-z " "-z,-x,-y 1/2-z,1/2-x,1/2-y y,z,x 1/2+y,1/2+z,1/2+x -x,-y,-z " "1/2-x,1/2-y,1/2-z z,x,y 1/2+z,1/2+x,1/2+y -y,-z,-x 1/2-y,1/2-z,1/2-x" }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SPACE_GROUP_DATA OpenChemistry-avogadrolibs-ceb949f/avogadro/core/spacegroups.cpp000066400000000000000000000376561516317240700253040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spacegroups.h" #include "crystaltools.h" #include "molecule.h" #include "spacegroupdata.h" #include "unitcell.h" #include "utilities.h" #include // for std::count() #include #include // for isdigit() #include // for floor() #include #include namespace Avogadro::Core { unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) { unsigned short hall = 0; // can't find anything const unsigned short hall_count = 531; // 530 but first one is empty // some files use " instead of = for the space group symbol std::string sg = spaceGroup; std::replace(sg.begin(), sg.end(), '"', '='); // space_group_hall_symbol for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_hall_symbol[i]) { return i; // found a match } } // space_group_international for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_international[i]) { return i; // found a match } } // space_group_international_short for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_international_short[i]) { return i; // found a match } } // space_group_international_full for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_international_full[i]) { return i; // found a match } } return hall; // can't find anything } CrystalSystem SpaceGroups::crystalSystem(unsigned short hallNumber) { if (hallNumber == 1 || hallNumber == 2) return Triclinic; if (hallNumber >= 3 && hallNumber <= 107) return Monoclinic; if (hallNumber >= 108 && hallNumber <= 348) return Orthorhombic; if (hallNumber >= 349 && hallNumber <= 429) return Tetragonal; if (hallNumber >= 430 && hallNumber <= 461) { // 14 of these are rhombohedral and the rest are trigonal switch (hallNumber) { case 433: case 434: case 436: case 437: case 444: case 445: case 450: case 451: case 452: case 453: case 458: case 459: case 460: case 461: return Rhombohedral; default: return Trigonal; } } if (hallNumber >= 462 && hallNumber <= 488) return Hexagonal; if (hallNumber >= 489 && hallNumber <= 530) return Cubic; // hallNumber must be 0 or > 531 return None; // for (unsigned short i = 0; i < hallNumberCount; ++i) } unsigned short SpaceGroups::internationalNumber(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international_number[hallNumber]; else return space_group_international_number[0]; } const char* SpaceGroups::schoenflies(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_schoenflies[hallNumber]; else return space_group_schoenflies[0]; } const char* SpaceGroups::hallSymbol(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_hall_symbol[hallNumber]; else return space_group_hall_symbol[0]; } const char* SpaceGroups::international(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international[hallNumber]; else return space_group_international[0]; } const char* SpaceGroups::internationalFull(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international_full[hallNumber]; else return space_group_international_full[0]; } const char* SpaceGroups::internationalShort(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international_short[hallNumber]; else return space_group_international_short[0]; } const char* SpaceGroups::setting(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_setting[hallNumber]; else return space_group_setting[0]; } unsigned short SpaceGroups::transformsCount(unsigned short hallNumber) { if (hallNumber <= 530) { std::string s = transformsString(hallNumber); return std::count(s.begin(), s.end(), ' ') + 1; } else { return 0; } } Real readTransformCoordinate(const std::string& coordinate, const Vector3& v) { // The coordinate should be at least 1 character assert(coordinate.size() != 0); Real ret = 0.0; Index i = 0; while (i < coordinate.size()) { bool isNeg = false; if (coordinate[i] == '-') { isNeg = true; ++i; assert(i < coordinate.size()); } // We assume we are adding, so no need for a boolean here else if (coordinate[i] == '+') { ++i; assert(i < coordinate.size()); } // Check to see if we have a digit if (isdigit(coordinate[i])) { // We SHOULD have a fraction. Also, we SHOULD only deal with single // digit numbers. Add assertions to make sure this is the case. assert(i + 2 < coordinate.size()); assert(coordinate[i + 1] == '/'); assert(isdigit(coordinate[i + 2])); // Assert that this is a single digit number if (coordinate.size() > i + 3) assert(!isdigit(coordinate[i + 3])); // Ancient methods used by our forefathers to cast a char to an int Real numerator = coordinate[i] - '0'; Real denominator = coordinate[i + 2] - '0'; Real fraction = numerator / denominator; fraction *= (isNeg) ? -1.0 : 1.0; ret += fraction; i += 3; } else if (coordinate[i] == 'x') { ret += (isNeg) ? -1.0 * v[0] : v[0]; ++i; } else if (coordinate[i] == 'y') { ret += (isNeg) ? -1.0 * v[1] : v[1]; ++i; } else if (coordinate[i] == 'z') { ret += (isNeg) ? -1.0 * v[2] : v[2]; ++i; } else { std::cerr << "In " << __FUNCTION__ << ", error reading string: '" << coordinate << "'\n"; return 0; } } return ret; } Vector3 getSingleTransform(const std::string& transform, const Vector3& v) { Vector3 ret; std::vector coordinates = split(transform, ','); // This should be 3 in size. Something very bad happened if it is not. assert(coordinates.size() == 3); ret[0] = readTransformCoordinate(coordinates[0], v); ret[1] = readTransformCoordinate(coordinates[1], v); ret[2] = readTransformCoordinate(coordinates[2], v); return ret; } Array SpaceGroups::getTransforms(unsigned short hallNumber, const Vector3& v) { if (hallNumber == 0 || hallNumber > 530) return Array(); Array ret; std::string transformsStr = transformsString(hallNumber); // These transforms are separated by spaces std::vector transforms = split(transformsStr, ' '); for (auto& transform : transforms) ret.push_back(getSingleTransform(transform, v)); return ret; } void SpaceGroups::fillUnitCell(Molecule& mol, unsigned short hallNumber, double cartTol, bool wrapToCell, bool allCopies) { if (!mol.unitCell()) return; UnitCell* uc = mol.unitCell(); Array atomicNumbers = mol.atomicNumbers(); Array positions = mol.atomPositions3d(); Index numAtoms = mol.atomCount(); // We are going to loop through the original atoms. That is why // we have numAtoms cached instead of using atomCount(). for (Index i = 0; i < numAtoms; ++i) { unsigned char atomicNum = atomicNumbers[i]; Vector3 pos = uc->toFractional(positions[i]); Array newAtoms = getTransforms(hallNumber, pos); // We skip 0 because it is the original atom. for (Index j = 1; j < newAtoms.size(); ++j) { // The new atoms are in fractional coordinates. Convert to cartesian. Vector3 newCandidate = uc->toCartesian(newAtoms[j]); // if we are wrapping to the cell, we need to wrap the new atom if (wrapToCell) newCandidate = uc->wrapCartesian(newCandidate); // If there is already any atom in this location within a // certain tolerance, do not add the atom. bool atomAlreadyPresent = false; for (Index k = 0; k < mol.atomCount(); k++) { Real distance = uc->distance(mol.atomPosition3d(k), newCandidate); if (distance <= cartTol) { atomAlreadyPresent = true; break; // no need to keep looking } } // If there is already an atom present here, just continue if (atomAlreadyPresent) continue; // If we got this far, add the atom! Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(newCandidate); } } // Now we generate any copies on the unit boundary if (allCopies) fillTranslationalCopies(mol, cartTol); else { // Remove atoms with fractional coordinates near 1.0 only if a // translational duplicate exists near 0.0 (same element, wrapped // fractional coords within tolerance). If no duplicate exists, wrap // the coordinate to 0.0 instead of deleting. const double fracTol = 0.001; std::vector toRemove; for (Index i = 0; i < mol.atomCount(); ++i) { Vector3 frac = uc->toFractional(mol.atomPositions3d()[i]); bool nearBoundary = false; for (Index j = 0; j < 3; ++j) { if (std::abs(frac[j] - 1.0) < fracTol) { nearBoundary = true; break; } } if (!nearBoundary) continue; // Build the wrapped version (1.0 -> 0.0) Vector3 wrapped = frac; for (Index j = 0; j < 3; ++j) { if (std::abs(wrapped[j] - 1.0) < fracTol) wrapped[j] = 0.0; } Vector3 wrappedCart = uc->toCartesian(wrapped); // Check if a different atom of the same element exists at the // wrapped position bool hasDuplicate = false; unsigned char atomicNum = mol.atomicNumber(i); for (Index k = 0; k < mol.atomCount(); ++k) { if (k == i) continue; if (mol.atomicNumber(k) != atomicNum) continue; if (uc->distance(mol.atomPosition3d(k), wrappedCart) < cartTol) { hasDuplicate = true; break; } } if (hasDuplicate) toRemove.push_back(i); else mol.setAtomPosition3d(i, wrappedCart); // wrap to 0.0 } // Remove in reverse order so indices remain valid for (auto it = toRemove.rbegin(); it != toRemove.rend(); ++it) mol.removeAtom(*it); } } void SpaceGroups::fillTranslationalCopies(Molecule& mol, double cartTol) { if (!mol.unitCell()) return; UnitCell* uc = mol.unitCell(); Array atomicNumbers = mol.atomicNumbers(); Array positions = mol.atomPositions3d(); Index numAtoms = mol.atomCount(); for (Index i = 0; i < numAtoms; ++i) { unsigned char atomicNum = atomicNumbers[i]; Vector3 pos = uc->toFractional(positions[i]); Array newAtoms; // We need to check each coordinate to see if it is 0.0 or 1.0 // .. if so, we need to generate the symmetric copy for (Index j = 0; j < 3; ++j) { Vector3 newPos = pos; if (fabs(pos[j]) < 0.001) { newPos[j] = 1.0; newAtoms.push_back(newPos); } if (fabs(pos[j] - 1.0) < 0.001) { newPos[j] = 0.0; newAtoms.push_back(newPos); } for (Index k = j + 1; k < 3; ++k) { if (fabs(pos[k]) < 0.001) { newPos[k] = 1.0; newAtoms.push_back(newPos); newPos[k] = 0.0; // revert for the other coords } if (fabs(pos[k] - 1.0) < 0.001) { newPos[k] = 0.0; newAtoms.push_back(newPos); newPos[k] = 1.0; // revert } } } // finally, check if all coordinates are 0.0 if (fabs(pos[0]) < 0.001 && fabs(pos[1]) < 0.001 && fabs(pos[2]) < 0.001) newAtoms.push_back(Vector3(1.0, 1.0, 1.0)); // or 1.0 .. unlikely, but possible if (fabs(pos[0] - 1.0) < 0.001 && fabs(pos[1] - 1.0) < 0.001 && fabs(pos[2] - 1.0) < 0.001) newAtoms.push_back(Vector3(0.0, 0.0, 0.0)); for (const auto& atomMat : newAtoms) { // The new atoms are in fractional coordinates. Convert to cartesian. Vector3 newCandidate = uc->toCartesian(atomMat); // If there is already an atom in this location within a // certain tolerance, do not add the atom. bool atomAlreadyPresent = false; Real cartTolSq = cartTol * cartTol; for (Index k = 0; k < mol.atomCount(); k++) { Real distSq = (mol.atomPosition3d(k) - newCandidate).squaredNorm(); if (distSq <= cartTolSq) { atomAlreadyPresent = true; break; } } // If there is already an atom present here, just continue if (atomAlreadyPresent) continue; // If we got this far, add the atom! Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(newCandidate); } } } void SpaceGroups::reduceToAsymmetricUnit(Molecule& mol, unsigned short hallNumber, double cartTol) { if (!mol.unitCell()) return; UnitCell* uc = mol.unitCell(); // The number of atoms may change as we remove atoms, so don't cache // the number of atoms, atomic positions, or atomic numbers // There's no point in looking at the last atom for (Index i = 0; i + 1 < mol.atomCount(); ++i) { unsigned char atomicNum = mol.atomicNumber(i); Vector3 pos = uc->toFractional(mol.atomPosition3d(i)); Array transformAtoms = getTransforms(hallNumber, pos); // Loop through the rest of the atoms in this crystal and see if any match // up with a transform for (Index j = i + 1; j < mol.atomCount(); ++j) { // If the atomic number does not match, skip over it if (mol.atomicNumber(j) != atomicNum) continue; Vector3 trialPos = mol.atomPosition3d(j); // Loop through the transform atoms // We skip 0 because it is the original atom. for (Index k = 1; k < transformAtoms.size(); ++k) { // The transform atoms are in fractional coordinates. Convert to // cartesian. Vector3 transformPos = uc->toCartesian(transformAtoms[k]); Real distance = uc->distance(trialPos, transformPos); // Is the atom within the cartesian tolerance distance? if (distance <= cartTol) { // Remove this atom and adjust the index mol.removeAtom(j); --j; break; } } } } } Array SpaceGroups::translationalUniqueAtoms(const Molecule& mol, double tolerance) { Array uniqueIndices; if (!mol.unitCell()) return uniqueIndices; const UnitCell* uc = mol.unitCell(); Index numAtoms = mol.atomCount(); // Store wrapped coordinates for atoms we've already accepted std::vector> accepted; for (Index i = 0; i < numAtoms; ++i) { unsigned char atomicNum = mol.atomicNumber(i); Vector3 fracCoords = uc->toFractional(mol.atomPosition3d(i)); // Wrap coordinates to [0, 1) range for comparison Vector3 wrappedCoords; for (int c = 0; c < 3; ++c) { double coord = fracCoords[c]; coord = coord - floor(coord); if (coord > 1.0 - tolerance) coord = 0.0; wrappedCoords[c] = coord; } // Check if this is a duplicate of a previously accepted atom bool isDuplicate = false; for (const auto& prev : accepted) { if (prev.first != atomicNum) continue; // Check if positions match within tolerance if ((wrappedCoords - prev.second).norm() < tolerance) { isDuplicate = true; break; } } if (!isDuplicate) { uniqueIndices.push_back(i); accepted.emplace_back(atomicNum, wrappedCoords); } } return uniqueIndices; } const char* SpaceGroups::transformsString(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_transforms[hallNumber]; else return ""; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/spacegroups.h000066400000000000000000000130731516317240700247340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SPACE_GROUPS_H #define AVOGADRO_CORE_SPACE_GROUPS_H #include "avogadrocoreexport.h" #include "array.h" #include "vector.h" #include namespace Avogadro::Core { class Molecule; /** * Enumeration of the crystal system. */ enum CrystalSystem { None, Triclinic, Monoclinic, Orthorhombic, Tetragonal, Trigonal, Rhombohedral, Hexagonal, Cubic }; /** * @class SpaceGroups spacegroups.h * @brief The Spacegroups class stores basic data about crystal spacegroups. * * The spacegroups class gives a simple interface to basic data about crystal * spacegroups. The data is generated from information in spglib. */ class AVOGADROCORE_EXPORT SpaceGroups { public: SpaceGroups() = default; ~SpaceGroups() = default; /** * @return The hall number of the matching space group string or 0 if not * found */ static unsigned short hallNumber(const std::string& spaceGroup); /** * @return an enum representing the crystal system for a given hall number. * If an invalid hall number is given, None will be returned. */ static CrystalSystem crystalSystem(unsigned short hallNumber); /** * @return the international number for a given hall number. * If an invalid hall number is given, 0 will be returned. */ static unsigned short internationalNumber(unsigned short hallNumber); /** * @return the Schoenflies symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* schoenflies(unsigned short hallNumber); /** * @return the Hall symbol for a given hall number. '=' is used instead of * '"'. If an invalid hall number is given, an empty string will be returned. */ static const char* hallSymbol(unsigned short hallNumber); /** * @return the international symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* international(unsigned short hallNumber); /** * @return the full international symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* internationalFull(unsigned short hallNumber); /** * @return the short international symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* internationalShort(unsigned short hallNumber); /** * @return the setting for a given hall number. * If an invalid hall number is given, an empty string will be returned. * An empty string may also be returned if there are no settings for this * space group. */ static const char* setting(unsigned short hallNumber); /** * @return the number of transforms for a given hall number. * If an invalid hall number is given, 0 will be returned. */ static unsigned short transformsCount(unsigned short hallNumber); /** * @return an array of transforms for a given hall number and a vector v. * The vector should be in fractional coordinates. * If an invalid hall number is given, an empty array will be returned. */ static Array getTransforms(unsigned short hallNumber, const Vector3& v); /** * Fill a crystal with atoms by using transforms from a hall number. * Nothing will be done if the molecule does not have a unit cell. * The cartesian tolerance is used to check if an atom is already * present at that location. If there is another atom within that * distance, the new atom will not be placed there. */ static void fillUnitCell(Molecule& mol, unsigned short hallNumber, double cartTol = 1e-5, bool wrapToCell = true, bool allCopies = false); /** * Add translational copies of atoms on the unit cell boundary. * For atoms at fractional coordinate ~0, a copy is placed at ~1 and * vice versa, plus edge and corner combinations. * No symmetry operations are applied. */ static void fillTranslationalCopies(Molecule& mol, double cartTol = 1e-5); /** * Reduce a cell to its asymmetric unit. * Nothing will be done if the molecule does not have a unit cell. * The cartesian tolerance is used to check if an atom is present * at a location within the tolerance distance. * If an atom is present, the atom gets removed. */ static void reduceToAsymmetricUnit(Molecule& mol, unsigned short hallNumber, double cartTol = 1e-5); /** * Get indices of translationally unique atoms, filtering out duplicates. * Atoms with fractional coordinates near 1.0 that duplicate atoms near 0.0 * (due to periodic boundary conditions) are excluded. * @param mol The molecule with a unit cell * @param tolerance Fractional coordinate tolerance for duplicate detection * @return Array of atom indices to include (empty if no unit cell) */ static Array translationalUniqueAtoms(const Molecule& mol, double tolerance = 0.001); private: /** * Get the transforms string stored in the database. */ static const char* transformsString(unsigned short hallNumber); }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SPACE_GROUPS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/symbolatomtyper.cpp000066400000000000000000000011451516317240700262030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "symbolatomtyper.h" #include "elements.h" namespace Avogadro::Core { SymbolAtomTyper::SymbolAtomTyper(const Molecule* mol) : AtomTyper(mol) { } std::string SymbolAtomTyper::type(const Atom& atom) { return std::string(Elements::symbol(atom.atomicNumber())); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/symbolatomtyper.h000066400000000000000000000017741516317240700256600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SYMBOLATOMTYPER_H #define AVOGADRO_CORE_SYMBOLATOMTYPER_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { /** * @class SymbolAtomTyper symbolatomtyper.h * @brief The SymbolAtomTyper class is a simple implementation of AtomTyper that * assigns element symbols to each atom. */ class AVOGADROCORE_EXPORT SymbolAtomTyper : public AtomTyper { public: explicit SymbolAtomTyper(const Molecule* mol = nullptr); ~SymbolAtomTyper() override = default; protected: std::string type(const Atom& atom) override; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SYMBOLATOMTYPER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/types.h000066400000000000000000000036251516317240700235470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_TYPES_H #define AVOGADRO_CORE_TYPES_H namespace Avogadro { /** Symbolic constants representing various built-in C++ types. */ enum Type { UnknownType = -1, CharType, UCharType, ShortType, UShortType, IntType, UIntType, FloatType, DoubleType }; template class TypeTraits { public: enum { EnumValue = -1 }; static const char* name() { return "Unsupported type."; } }; template <> class TypeTraits { public: enum { EnumValue = CharType }; static const char* name() { return "char"; } }; template <> class TypeTraits { public: enum { EnumValue = UCharType }; static const char* name() { return "unsigned char"; } }; template <> class TypeTraits { public: enum { EnumValue = ShortType }; static const char* name() { return "short"; } }; template <> class TypeTraits { public: enum { EnumValue = UShortType }; static const char* name() { return "unsigned short"; } }; template <> class TypeTraits { public: enum { EnumValue = IntType }; static const char* name() { return "int"; } }; template <> class TypeTraits { public: enum { EnumValue = UIntType }; static const char* name() { return "unsigned int"; } }; template <> class TypeTraits { public: enum { EnumValue = FloatType }; static const char* name() { return "float"; } }; template <> class TypeTraits { public: enum { EnumValue = DoubleType }; static const char* name() { return "double"; } }; } // namespace Avogadro #endif // AVOGADRO_CORE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/unitcell.cpp000066400000000000000000000042051516317240700245500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "unitcell.h" #include namespace Avogadro::Core { bool UnitCell::isRegular(const Matrix3& m) { constexpr double tiny = 1e-6; const auto a = m.col(0).norm(); const auto b = m.col(1).norm(); const auto c = m.col(2).norm(); const auto w = a * b * c; return w > 0.0 && std::fabs(m.determinant()) > tiny * w; } void UnitCell::setCellParameters(Real a_, Real b_, Real c_, Real al, Real be, Real ga) { // Convert parameters to matrix. See "Appendix 2: Coordinate Systems and // Transformations" of the PDB guide (ref v2.2, 4/23/13, // http://www.bmsc.washington.edu/CrystaLinks/man/pdb/guide2.2_frame.html) const Real cosAlpha = std::cos(al); const Real cosBeta = std::cos(be); const Real cosGamma = std::cos(ga); const Real sinGamma = std::sin(ga); m_cellMatrix(0, 0) = a_; m_cellMatrix(1, 0) = static_cast(0.0); m_cellMatrix(2, 0) = static_cast(0.0); m_cellMatrix(0, 1) = b_ * cosGamma; m_cellMatrix(1, 1) = b_ * sinGamma; m_cellMatrix(2, 1) = static_cast(0.0); m_cellMatrix(0, 2) = c_ * cosBeta; m_cellMatrix(1, 2) = c_ * (cosAlpha - cosBeta * cosGamma) / sinGamma; m_cellMatrix(2, 2) = (c_ / sinGamma) * std::sqrt( static_cast(1.0) - ((cosAlpha * cosAlpha) + (cosBeta * cosBeta) + (cosGamma * cosGamma)) + (static_cast(2.0) * cosAlpha * cosBeta * cosGamma)); computeFractionalMatrix(); } Real UnitCell::signedAngleRadians(const Vector3& v1, const Vector3& v2, const Vector3& axis) { const Vector3 crossProduct(v1.cross(v2)); const Real crossProductNorm(crossProduct.norm()); const Real dotProduct(v1.dot(v2)); const Real signDet(crossProduct.dot(axis)); const Real angle(std::atan2(crossProductNorm, dotProduct)); return signDet > 0.f ? angle : -angle; } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/unitcell.h000066400000000000000000000240601516317240700242160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_UNITCELL_H #define AVOGADRO_CORE_UNITCELL_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "matrix.h" #include "vector.h" namespace Avogadro::Core { /** * @class UnitCell unitcell.h * @brief The UnitCell class provides a representation of a crystal's unit cell. */ class AVOGADROCORE_EXPORT UnitCell { public: UnitCell(); UnitCell(Real a, Real b, Real c, Real alpha, Real beta, Real gamma); UnitCell(const Vector3& a, const Vector3& b, const Vector3& c); explicit UnitCell(const Matrix3& cellMatrix); UnitCell(const UnitCell& other); ~UnitCell() = default; UnitCell& operator=(UnitCell other); friend void swap(UnitCell& lhs, UnitCell& rhs); /** The lattice vector in the unit cell. Units: Angstrom @{ */ Vector3 aVector() const { return m_cellMatrix.col(0); } Vector3 bVector() const { return m_cellMatrix.col(1); } Vector3 cVector() const { return m_cellMatrix.col(2); } void setAVector(const Vector3& v); void setBVector(const Vector3& v); void setCVector(const Vector3& v); /** @} */ /** The length of the lattice vector in the unit cell. Units: Angstrom @{ */ Real a() const { return m_cellMatrix.col(0).norm(); } Real b() const { return m_cellMatrix.col(1).norm(); } Real c() const { return m_cellMatrix.col(2).norm(); } /** @} */ /** The angle (radians) between the 'b' and 'c' lattice vectors. */ Real alpha() const; /** The angle (radians) between the 'c' and 'a' lattice vectors. */ Real beta() const; /** The angle (radians) between the 'a' and 'b' lattice vectors. */ Real gamma() const; /** * Set the cell parameters defining the unit cell. @a a, @a b, and @a c are * in Angstrom, @a alpha, @a beta, and @a gamma are in radians. */ void setCellParameters(Real a, Real b, Real c, Real alpha, Real beta, Real gamma); /** * The volume of the unit cell in cubic Angstroms. */ Real volume() const; /** * @return A vector pointing to the origin of the translational image that is * @a i images in the a() direction, @a j images in the b() direction, and * @a k images in the c() direction. */ Vector3 imageOffset(int i, int j, int k) const; /** * The cell matrix with lattice vectors as columns. Units: Angstrom @{ */ const Matrix3& cellMatrix() const; void setCellMatrix(const Matrix3& m); /** @} */ /** * The matrix used to convert cartesian to fractional coordinates. */ const Matrix3& fractionalMatrix() const; void setFractionalMatrix(const Matrix3& m); /** @} */ /** * Convert the cartesian coordinate @a cart to fractional (lattice) units. @{ */ Vector3 toFractional(const Vector3& cart) const; void toFractional(const Vector3& cart, Vector3& frac) const; /** * Convert the fractional (lattice) coordinate @a frac to cartesian units. @{ */ Vector3 toCartesian(const Vector3& frac) const; void toCartesian(const Vector3& frac, Vector3& cart) const; /** @} */ /** * Adjust the fractional (lattice) coordinate @a frac so that it lies within * the unit cell. @{ */ Vector3 wrapFractional(const Vector3& frac) const; void wrapFractional(const Vector3& frac, Vector3& wrapped) const; /** @} */ /** * Adjust the cartesian coordinate @a cart so that it lies within the unit * cell. @{ */ Vector3 wrapCartesian(const Vector3& cart) const; void wrapCartesian(const Vector3& cart, Vector3& wrapped) const; /** @} */ /** * Find the minimum fractional image of a fractional vector @a v. * A minimum image has all fractional coordinates between -0.5 and 0.5. */ static Vector3 minimumImageFractional(const Vector3& v); /** * Find the minimum image of a Cartesian vector @a v. * A minimum image has all fractional coordinates between -0.5 and 0.5 */ Vector3 minimumImage(const Vector3& v) const; /** * Find the shortest distance between vectors @a v1 and @a v2. */ Real distance(const Vector3& v1, const Vector3& v2) const; Real distanceSquared(const Vector3& v1, const Vector3& v2) const; /** * @return if @a m is regular, i.e. its determinant is nonzero */ static bool isRegular(const Matrix3& m); bool isRegular() const { return isRegular(m_cellMatrix); } private: static Real signedAngleRadians(const Vector3& v1, const Vector3& v2, const Vector3& axis); void computeCellMatrix() { m_cellMatrix = m_fractionalMatrix.inverse(); } void computeFractionalMatrix() { m_fractionalMatrix = m_cellMatrix.inverse(); } Matrix3 m_cellMatrix; Matrix3 m_fractionalMatrix; }; inline UnitCell::UnitCell() : m_cellMatrix(Matrix3::Identity()), m_fractionalMatrix(Matrix3::Identity()) { } inline UnitCell::UnitCell(Real a_, Real b_, Real c_, Real alpha_, Real beta_, Real gamma_) { setCellParameters(a_, b_, c_, alpha_, beta_, gamma_); } inline UnitCell::UnitCell(const Vector3& a_, const Vector3& b_, const Vector3& c_) { m_cellMatrix.col(0) = a_; m_cellMatrix.col(1) = b_; m_cellMatrix.col(2) = c_; computeFractionalMatrix(); } inline UnitCell::UnitCell(const Matrix3& cellMatrix_) : m_cellMatrix(cellMatrix_) { computeFractionalMatrix(); } inline UnitCell::UnitCell(const UnitCell& other) : m_cellMatrix(other.m_cellMatrix), m_fractionalMatrix(other.m_fractionalMatrix) { } inline UnitCell& UnitCell::operator=(UnitCell other) { using std::swap; swap(*this, other); return *this; } inline void swap(UnitCell& lhs, UnitCell& rhs) { using std::swap; swap(lhs.m_cellMatrix, rhs.m_cellMatrix); swap(lhs.m_fractionalMatrix, rhs.m_fractionalMatrix); } inline void UnitCell::setAVector(const Vector3& v) { m_cellMatrix.col(0) = v; computeFractionalMatrix(); } inline void UnitCell::setBVector(const Vector3& v) { m_cellMatrix.col(1) = v; computeFractionalMatrix(); } inline void UnitCell::setCVector(const Vector3& v) { m_cellMatrix.col(2) = v; computeFractionalMatrix(); } inline Real UnitCell::alpha() const { return signedAngleRadians(bVector(), cVector(), aVector()); } inline Real UnitCell::beta() const { return signedAngleRadians(cVector(), aVector(), bVector()); } inline Real UnitCell::gamma() const { return signedAngleRadians(aVector(), bVector(), cVector()); } inline Real UnitCell::volume() const { return std::fabs(aVector().cross(bVector()).dot(cVector())); } inline Vector3 UnitCell::imageOffset(int i, int j, int k) const { return (static_cast(i) * m_cellMatrix.col(0) + static_cast(j) * m_cellMatrix.col(1) + static_cast(k) * m_cellMatrix.col(2)); } inline const Matrix3& UnitCell::cellMatrix() const { return m_cellMatrix; } inline void UnitCell::setCellMatrix(const Matrix3& m) { m_cellMatrix = m; computeFractionalMatrix(); } inline const Matrix3& UnitCell::fractionalMatrix() const { return m_fractionalMatrix; } inline void UnitCell::setFractionalMatrix(const Matrix3& m) { m_fractionalMatrix = m; computeCellMatrix(); } inline Vector3 UnitCell::toFractional(const Vector3& cart) const { return m_fractionalMatrix * cart; } inline void UnitCell::toFractional(const Vector3& cart, Vector3& frac) const { frac = m_fractionalMatrix * cart; } inline Vector3 UnitCell::toCartesian(const Vector3& f) const { return m_cellMatrix * f; } inline void UnitCell::toCartesian(const Vector3& frac, Vector3& cart) const { cart = m_cellMatrix * frac; } inline Vector3 UnitCell::wrapFractional(const Vector3& f) const { const Real one = static_cast(1.0); Vector3 result(std::fmod(f[0], one), std::fmod(f[1], one), std::fmod(f[2], one)); if (result[0] < static_cast(0.0)) ++result[0]; if (result[1] < static_cast(0.0)) ++result[1]; if (result[2] < static_cast(0.0)) ++result[2]; // set anything at 1.0 to 0.0 if (result[0] >= static_cast(0.999999)) result[0] = static_cast(0.0); if (result[1] >= static_cast(0.999999)) result[1] = static_cast(0.0); if (result[2] >= static_cast(0.999999)) result[2] = static_cast(0.0); return result; } inline void UnitCell::wrapFractional(const Vector3& f, Vector3& wrapped) const { const Real one = static_cast(1.0); wrapped = Vector3(std::fmod(f[0], one), std::fmod(f[1], one), std::fmod(f[2], one)); if (wrapped[0] < static_cast(0.0)) ++wrapped[0]; if (wrapped[1] < static_cast(0.0)) ++wrapped[1]; if (wrapped[2] < static_cast(0.0)) ++wrapped[2]; // set anything at 1.0 to 0.0 if (wrapped[0] >= static_cast(0.999999)) wrapped[0] = static_cast(0.0); if (wrapped[1] >= static_cast(0.999999)) wrapped[1] = static_cast(0.0); if (wrapped[2] >= static_cast(0.999999)) wrapped[2] = static_cast(0.0); } inline Vector3 UnitCell::wrapCartesian(const Vector3& cart) const { Vector3 result = toFractional(cart); wrapFractional(result, result); toCartesian(result, result); return result; } inline void UnitCell::wrapCartesian(const Vector3& cart, Vector3& wrapped) const { toFractional(cart, wrapped); wrapFractional(wrapped, wrapped); toCartesian(wrapped, wrapped); } inline Vector3 UnitCell::minimumImageFractional(const Vector3& v) { Real x = v[0] - rint(v[0]); Real y = v[1] - rint(v[1]); Real z = v[2] - rint(v[2]); return Vector3(x, y, z); } inline Vector3 UnitCell::minimumImage(const Vector3& v) const { return toCartesian(minimumImageFractional(toFractional(v))); } inline Real UnitCell::distance(const Vector3& v1, const Vector3& v2) const { return minimumImage(v1 - v2).norm(); } inline Real UnitCell::distanceSquared(const Vector3& v1, const Vector3& v2) const { return minimumImage(v1 - v2).squaredNorm(); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_UNITCELL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/utilities.h000066400000000000000000000113201516317240700244050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_UTILITIES_H #define AVOGADRO_CORE_UTILITIES_H #include #include #include #include #include namespace Avogadro::Core { /** * @brief Split the supplied @p string by the @p delimiter. * @param string The string to be split up. * @param delimiter The delimiter to split the string by. * @param skipEmpty If true any empty items will be skipped. * @return A vector containing the items. */ inline std::vector split(const std::string& string, char delimiter, bool skipEmpty = true) { std::vector elements; std::stringstream stringStream(string); std::string item; while (std::getline(stringStream, item, delimiter)) { if (skipEmpty && item.empty()) continue; elements.push_back(item); } return elements; } /** * @brief Search the input string for the search string. * @param input String to be examined. * @param search String that will be searched for. * @return True if the string contains search, false otherwise. */ inline bool contains(const std::string& input, const std::string& search, bool caseSensitive = true) { if (caseSensitive) { return input.find(search) != std::string::npos; } else { std::string inputLower = input; std::string searchLower = search; std::transform(inputLower.begin(), inputLower.end(), inputLower.begin(), ::tolower); std::transform(searchLower.begin(), searchLower.end(), searchLower.begin(), ::tolower); return inputLower.find(searchLower) != std::string::npos; } } /** * @brief Efficient method to confirm input starts with the search string. * @param input String to be examined. * @param search String that will be searched for. * @return True if the string starts with search, false otherwise. */ inline bool startsWith(const std::string& input, const std::string& search) { return input.size() >= search.size() && input.compare(0, search.size(), search) == 0; } /** * @brief Efficient method to confirm input ends with the ending string. * @param input String to be examined. * @param ending String that will be searched for. * @return True if the string ends with ending, false otherwise. */ inline bool endsWith(std::string const& input, std::string const& ending) { if (ending.size() > input.size()) return false; return std::equal(ending.rbegin(), ending.rend(), input.rbegin()); } /** * @brief Trim a string of whitespace from the left and right. */ inline std::string trimmed(const std::string& input) { size_t start = input.find_first_not_of(" \n\r\t"); size_t end = input.find_last_not_of(" \n\r\t"); if (start == std::string::npos && end == std::string::npos) return ""; return input.substr(start, end - start + 1); } /** * @brief Remove trailing part of `str` after `c` */ inline std::string rstrip(const std::string& str, char c) { return str.substr(0, str.find_first_of(c)); } /** * @brief Cast the inputString to the specified type. * @param inputString String to cast to the specified type. * @retval converted value if cast is successful * @retval std::nullopt otherwise */ template std::optional lexicalCast(const std::string& inputString) { T value; std::istringstream stream(inputString); stream >> value; if (stream.fail()) return std::nullopt; return value; } /** * @brief Cast the inputString to the specified type. * @param inputString String to cast to the specified type. * @param ok Set to true on success, and false if the string could not be * converted to the specified type. */ template T lexicalCast(const std::string& inputString, bool& ok) { if (auto value = lexicalCast(inputString)) { ok = true; return *value; } ok = false; return {}; } /** * @brief Cast the range to the specified type. * @param first Start of the range * @param last End of the range * @retval converted values if cast of ALL the elements are successful * @retval std::nullopt otherwise */ template std::optional> lexicalCast(Iterator first, Iterator last) { std::vector values; for (; first != last; ++first) { if (auto value = lexicalCast(*first)) { values.emplace_back(*value); } else { return std::nullopt; } } return values; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_UTILITIES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/variant-inline.h000066400000000000000000000250571516317240700253260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VARIANT_INLINE_H #define AVOGADRO_CORE_VARIANT_INLINE_H #include "variant.h" #include #include namespace Avogadro::Core { inline Variant::Variant() : m_type(Null) {} inline Variant::Variant(double x, double y, double z) : m_type(Vector) { Vector3* v = new Vector3(x, y, z); m_value.vector = v; } template inline Variant::Variant(T v) : m_type(Null) { setValue(v); } template <> inline Variant::Variant(char v) : m_type(Int) { m_value._int = static_cast(v); } template <> inline Variant::Variant(const char* v) : m_type(String) { m_value.string = new std::string(v); } template <> inline Variant::Variant(const MatrixXf& v) : m_type(Matrix) { MatrixX* m = new MatrixX(v.rows(), v.cols()); *m = v.cast(); m_value.matrix = m; } template <> inline Variant::Variant(const Vector3& v) : m_type(Vector) { Vector3* _v = new Vector3(v); m_value.vector = _v; } template <> inline Variant::Variant(const Vector3f& v) : m_type(Vector) { Vector3* _v = new Vector3(v.x(), v.y(), v.z()); m_value.vector = _v; } template <> inline Variant::Variant(const std::vector& v) : m_type(Matrix) { MatrixX* m = new MatrixX(v.size(), 1); for (size_t i = 0; i < v.size(); ++i) m->coeffRef(i, 0) = v[i]; m_value.matrix = m; } inline Variant::Variant(const Variant& variant) : m_type(variant.type()) { if (m_type == String) m_value.string = new std::string(variant.toString()); else if (m_type == Matrix) m_value.matrix = new MatrixX(*variant.m_value.matrix); else if (m_type == Vector) m_value.vector = new Vector3(*variant.m_value.vector); else if (m_type != Null) m_value = variant.m_value; } inline Variant::~Variant() { clear(); } inline Variant::Type Variant::type() const { return m_type; } inline bool Variant::isNull() const { return m_type == Null; } inline bool Variant::setValue(double x, double y, double z) { clear(); m_type = Vector; m_value.vector = new Vector3(x, y, z); return true; } inline bool Variant::setValue(const std::vector& v) { clear(); m_type = Matrix; m_value.matrix = new MatrixX(v.size(), 1); for (size_t i = 0; i < v.size(); ++i) m_value.matrix->coeffRef(i, 0) = v[i]; return true; } template inline bool Variant::setValue(T v) { AVO_UNUSED(v); #ifndef NDEBUG #if defined(_MSC_VER) std::cerr << " Variant::setValue() not implemented for " << __FUNCSIG__ << std::endl; #else std::cerr << " Variant::setValue() not implemented for " << __PRETTY_FUNCTION__ << std::endl; #endif #endif clear(); return false; } template <> inline bool Variant::setValue(bool v) { clear(); m_type = Bool; m_value._bool = v; return true; } template <> inline bool Variant::setValue(char v) { clear(); m_type = Int; m_value._int = static_cast(v); return true; } template <> inline bool Variant::setValue(short v) { clear(); m_type = Int; m_value._int = v; return true; } template <> inline bool Variant::setValue(int v) { clear(); m_type = Int; m_value._int = v; return true; } template <> inline bool Variant::setValue(long v) { clear(); m_type = Long; m_value._long = v; return true; } template <> inline bool Variant::setValue(float v) { clear(); m_type = Float; m_value._float = v; return true; } template <> inline bool Variant::setValue(double v) { clear(); m_type = Double; m_value._double = v; return true; } template <> inline bool Variant::setValue(std::string string) { clear(); m_type = String; m_value.string = new std::string(string); return true; } template <> inline bool Variant::setValue(const char* string) { return setValue(std::string(string)); } template <> inline bool Variant::setValue(void* pointer) { clear(); m_type = Pointer; m_value.pointer = pointer; return true; } template <> inline bool Variant::setValue(MatrixX matrix) { clear(); m_type = Matrix; m_value.matrix = new MatrixX(matrix); return true; } template <> inline bool Variant::setValue(Vector3 vector) { clear(); m_type = Vector; m_value.vector = new Vector3(vector); return true; } template <> inline bool Variant::setValue(Vector3f vector) { clear(); m_type = Vector; m_value.vector = new Vector3(vector.x(), vector.y(), vector.z()); return true; } template inline T Variant::value() const { return 0; } template <> inline bool Variant::value() const { if (m_type == Bool) return m_value._bool; else if (m_type == Int) return m_value._int != 0; return false; } template <> inline char Variant::value() const { if (m_type == Int) return static_cast(m_value._int); else if (m_type == String && !m_value.string->empty()) return m_value.string->at(0); return '\0'; } template <> inline short Variant::value() const { if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline int Variant::value() const { if (m_type == Int) return m_value._int; else if (m_type == Bool) return static_cast(m_value._bool); else if (m_type == Float) return static_cast(m_value._float); else if (m_type == Double) return static_cast(m_value._double); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline long Variant::value() const { if (m_type == Long) return m_value._long; else if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline float Variant::value() const { if (m_type == Float) return m_value._float; else if (m_type == Double) return static_cast(m_value._double); else if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline double Variant::value() const { if (m_type == Double) return m_value._double; else if (m_type == Float) return static_cast(m_value._float); else if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline void* Variant::value() const { if (m_type == Pointer) return m_value.pointer; return nullptr; } template <> inline std::string Variant::value() const { if (m_type == String) return *m_value.string; std::stringstream string; if (m_type == Int) string << m_value._int; else if (m_type == Float) string << m_value._float; else if (m_type == Double) string << m_value._double; return string.str(); } template <> inline MatrixX Variant::value() const { if (m_type == Matrix) return *m_value.matrix; return MatrixX(); } template <> inline const MatrixX& Variant::value() const { if (m_type == Matrix) return *m_value.matrix; // Use a static null matrix for the reference. static MatrixX nullMatrix(0, 0); return nullMatrix; } template <> inline Vector3 Variant::value() const { if (m_type == Vector) return *m_value.vector; return Vector3(); } template <> inline const Vector3& Variant::value() const { if (m_type == Vector) return *m_value.vector; static Vector3 nullVector(0, 0, 0); return nullVector; } template <> inline std::vector Variant::value() const { if (m_type == Matrix && m_value.matrix->cols() == 1) { std::vector list(m_value.matrix->rows()); for (int i = 0; i < m_value.matrix->rows(); ++i) list[i] = m_value.matrix->coeff(i, 0); return list; } return std::vector(); } inline void Variant::clear() { if (m_type == String) { delete m_value.string; m_value.string = nullptr; } else if (m_type == Matrix) { delete m_value.matrix; m_value.matrix = nullptr; } else if (m_type == Vector) { delete m_value.vector; m_value.vector = nullptr; } m_type = Null; } inline bool Variant::toBool() const { return value(); } inline char Variant::toChar() const { return value(); } inline unsigned char Variant::toUChar() const { return value(); } inline short Variant::toShort() const { return value(); } inline unsigned short Variant::toUShort() const { return value(); } inline int Variant::toInt() const { return value(); } inline unsigned int Variant::toUInt() const { return value(); } inline long Variant::toLong() const { return value(); } inline unsigned long Variant::toULong() const { return value(); } inline float Variant::toFloat() const { return value(); } inline double Variant::toDouble() const { return value(); } inline Real Variant::toReal() const { return value(); } inline void* Variant::toPointer() const { return value(); } inline std::string Variant::toString() const { return value(); } inline MatrixX Variant::toMatrix() const { return value(); } inline const MatrixX& Variant::toMatrixRef() const { return value(); } inline Vector3 Variant::toVector3() const { return value(); } inline std::vector Variant::toList() const { return value>(); } // --- Operators ----------------------------------------------------------- // inline Variant& Variant::operator=(const Variant& variant) { if (this != &variant) { // Clear previous data, clear(); // Set the new type. m_type = variant.m_type; // Set the new value, if (m_type == String) m_value.string = new std::string(variant.toString()); else if (m_type == Matrix) m_value.matrix = new MatrixX(*variant.m_value.matrix); else if (m_type == Vector) m_value.vector = new Vector3(*variant.m_value.vector); else if (m_type != Null) m_value = variant.m_value; } return *this; } // --- Internal Methods ---------------------------------------------------- // template inline T Variant::lexical_cast(const std::string& str) { T value; std::istringstream(str) >> value; return value; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_VARIANT_INLINE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/variant.h000066400000000000000000000103551516317240700240450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VARIANT_H #define AVOGADRO_CORE_VARIANT_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "matrix.h" #include "vector.h" #include namespace Avogadro::Core { /** * @class Variant variant.h * @brief The Variant class represents a union of data values. * * Variant objects allow for the storage of and conversion between a variety of * different data types. */ class AVOGADROCORE_EXPORT Variant { public: // enumerations enum Type { Null, Bool, Int, Long, Float, Double, Pointer, String, Vector, Matrix }; /** Creates a null variant. */ inline Variant(); /** Creates a variant to store @p value. */ template Variant(T value); /** Creates a new copy of @p variant. */ inline Variant(const Variant& variant); /** Creates a variant to store a 3D vector */ Variant(double x, double y, double z); /** Destroys the variant object. */ inline ~Variant(); /** @return variant's type. */ inline Type type() const; /** @return \c true if the variant is null. */ inline bool isNull() const; /** Sets the value of the variant to @p value. */ template bool setValue(T value); /** Sets the value of the variant to a 3D vector */ bool setValue(double x, double y, double z); /** Sets the value of the variant to a vector */ bool setValue(const std::vector& v); /** @return the value of the variant in the type given by \c T. */ template T value() const; /** Clears the variant's data and sets the variant to null. */ inline void clear(); /** @return the value of the variant as a \c bool. */ inline bool toBool() const; /** @return the value of the variant as a \c char. */ inline char toChar() const; /** @return the value of the variant as an \c unsigned \c char. */ inline unsigned char toUChar() const; /** @return the value of the variant as a \c short. */ inline short toShort() const; /** @return the value of the variant as an \c unsigned \c short. */ inline unsigned short toUShort() const; /** @return the value of the variant as an \c int. */ inline int toInt() const; /** @return the value of the variant as an \c unsigned \c int. */ inline unsigned int toUInt() const; /** @return the value of the variant as a \c long. */ inline long toLong() const; /** @return the value of the variant as an \c unsigned \c long. */ inline unsigned long toULong() const; /** @return the value of the variant as a \c float. */ inline float toFloat() const; /** @return the value of the variant as a \c double. */ inline double toDouble() const; /** @return the value of the variant as a \c Real. */ inline Real toReal() const; /** @return the value of the variant as a pointer. */ inline void* toPointer() const; /** @return the value of the variant as a string. */ inline std::string toString() const; /** @return the value of the variant as a MatrixX. */ inline MatrixX toMatrix() const; /** @return the value of the variant as a Vector3 */ inline Vector3 toVector3() const; /** @return the value as a vector */ inline std::vector toList() const; /** * @return a reference to the value of the variant as a MatrixX. * This method will not perform any casting -- if type() is not exactly * MatrixX, the function will fail and return a reference to an empty MatrixX. */ inline const MatrixX& toMatrixRef() const; // operators inline Variant& operator=(const Variant& variant); private: template static T lexical_cast(const std::string& string); private: Type m_type; union { bool _bool; int _int; long _long; float _float; double _double; void* pointer; std::string* string; Vector3* vector; MatrixX* matrix; } m_value; }; } // namespace Avogadro::Core #include "variant-inline.h" #endif // AVOGADRO_CORE_VARIANT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/variantmap.cpp000066400000000000000000000030371516317240700250750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "variantmap.h" namespace Avogadro::Core { size_t VariantMap::size() const { return m_map.size(); } bool VariantMap::isEmpty() const { return m_map.empty(); } std::vector VariantMap::names() const { std::vector result; result.reserve(size()); for (auto it = constBegin(), itEnd = constEnd(); it != itEnd; ++it) result.push_back((*it).first); return result; } void VariantMap::setValue(const std::string& name, const Variant& v) { m_map[name] = v; } Variant VariantMap::value(const std::string& name) const { auto iter = m_map.find(name); if (iter == m_map.end()) return Variant(); return iter->second; } bool VariantMap::hasValue(const std::string& name) const { return m_map.find(name) != m_map.end(); } VariantMap::iterator VariantMap::begin() { return m_map.begin(); } VariantMap::const_iterator VariantMap::begin() const { return m_map.begin(); } VariantMap::const_iterator VariantMap::constBegin() const { return m_map.begin(); } VariantMap::iterator VariantMap::end() { return m_map.end(); } VariantMap::const_iterator VariantMap::end() const { return m_map.end(); } VariantMap::const_iterator VariantMap::constEnd() const { return m_map.end(); } } // namespace Avogadro::Core OpenChemistry-avogadrolibs-ceb949f/avogadro/core/variantmap.h000066400000000000000000000043461516317240700245460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VARIANTMAP_H #define AVOGADRO_CORE_VARIANTMAP_H #include "avogadrocoreexport.h" #include "variant.h" #include #include #include namespace Avogadro::Core { /** * @class VariantMap variantmap.h * @brief The VariantMap class provides a map between string keys and variant * values. */ class AVOGADROCORE_EXPORT VariantMap { public: using iterator = std::map::iterator; using const_iterator = std::map::const_iterator; /** Creates a new variant map object. */ VariantMap() = default; /** Destroys the variant map. */ ~VariantMap() = default; /** Returns the size of the variant map. */ size_t size() const; /** Returns \c true if the variant map is empty (i.e. size() == \c 0). */ bool isEmpty() const; /** Returns the names of the entries in the map. */ std::vector names() const; /** Sets the value of @p name to @p v. */ void setValue(const std::string& name, const Variant& v); /** * Returns the value for @p name. If @p name is not found a null variant is * returned. */ Variant value(const std::string& name) const; /** * Returns true if the key exists in the map. */ bool hasValue(const std::string& name) const; /** * Clears the map. */ void clear() { m_map.clear(); } /** Return an iterator pointing to the beginning of the map. */ iterator begin(); /** \overload */ const_iterator begin() const; /** Return a const_iterator pointing to the beginning of the map. */ const_iterator constBegin() const; /** Return an iterator pointing to the end of the map. */ iterator end(); /** \overload */ const_iterator end() const; /** Return a const_iterator pointing to the end of the map. */ const_iterator constEnd() const; private: std::map m_map; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_VARIANTMAP_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/vector.h000066400000000000000000000022741516317240700237040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VECTOR_H #define AVOGADRO_CORE_VECTOR_H #include "avogadrocore.h" #include namespace Avogadro { /** Typedefs for vector types. */ using Vector2 = Eigen::Matrix; using Vector3 = Eigen::Matrix; using Vector4 = Eigen::Matrix; using Vector2f = Eigen::Matrix; using Vector3f = Eigen::Matrix; using Vector4f = Eigen::Matrix; using Vector2i = Eigen::Matrix; using Vector3i = Eigen::Matrix; using Vector4i = Eigen::Matrix; using Vector2ub = Eigen::Matrix; using Vector3ub = Eigen::Matrix; using Vector4ub = Eigen::Matrix; /** A simple struct composed of Vector3f to represent a frustrum. */ struct Frustrum { Vector3f points[8]; Vector3f planes[4]; }; } // namespace Avogadro #endif // AVOGADRO_CORE_VECTOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/core/version.cpp000066400000000000000000000006431516317240700244200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "version.h" namespace Avogadro { const char* version() { return AvogadroLibs_VERSION; } } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/io/000077500000000000000000000000001516317240700217035ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/io/CMakeLists.txt000066400000000000000000000024011516317240700244400ustar00rootroot00000000000000add_library(IO) avogadro_headers(IO cjsonformat.h cmlformat.h cmsgpackformat.h dcdformat.h fileformat.h fileformatmanager.h gromacsformat.h mdlformat.h lammpsformat.h pdbformat.h sdfformat.h trrformat.h turbomoleformat.h vaspformat.h xyzformat.h ) target_sources(IO PRIVATE cjsonformat.cpp cmlformat.cpp cmsgpackformat.cpp dcdformat.cpp fileformat.cpp fileformatmanager.cpp gromacsformat.cpp lammpsformat.cpp mdlformat.cpp pdbformat.cpp sdfformat.cpp trrformat.cpp turbomoleformat.cpp vaspformat.cpp xyzformat.cpp ) if(USE_HDF5) find_package(HDF5 REQUIRED COMPONENTS C) target_compile_definitions(IO PRIVATE AVO_USE_HDF5 H5_USE_110_API) avogadro_headers(IO hdf5dataformat.h) target_sources(IO PRIVATE hdf5dataformat.cpp) target_link_libraries(IO PRIVATE hdf5::hdf5) endif() if(USE_MMTF) find_package(MMTF REQUIRED) target_compile_definitions(IO PRIVATE AVO_USE_MMTF) avogadro_headers(IO mmtfformat.h) target_sources(IO PRIVATE mmtfformat.cpp) target_link_libraries(IO PRIVATE mmtf::mmtf) endif() avogadro_add_library(IO) target_link_libraries(IO PUBLIC Avogadro::Core PRIVATE struct pugixml::pugixml nlohmann_json::nlohmann_json) if(WIN32) target_link_libraries(IO PRIVATE ws2_32) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/io/cjsonformat.cpp000066400000000000000000001700471516317240700247450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cjsonformat.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using ordered_json = nlohmann::ordered_json; namespace Avogadro::Io { using std::string; using std::vector; using Core::Array; using Core::Atom; using Core::BasisSet; using Core::Bond; using Core::CrystalTools; using Core::Cube; using Core::GaussianSet; using Core::LayerData; using Core::LayerManager; using Core::Molecule; using Core::Residue; using Core::Variant; bool setJsonKey(json& j, Molecule& m, const std::string& key) { if (j.count(key) && j.find(key)->is_string()) { m.setData(key, j.value(key, "undefined")); return true; } return false; } bool isNumericArray(json& j) { if (j.is_array() && j.size() > 0) { for (const auto& v : j) { if (!v.is_number()) { return false; } } return true; } return false; } bool isBooleanArray(json& j) { if (j.is_array() && j.size() > 0) { for (const auto& v : j) { if (!v.is_boolean()) { return false; } } return true; } return false; } json eigenColToJson(const MatrixX& matrix, int column) { json j; j = json::array(); for (Eigen::Index i = 0; i < matrix.rows(); ++i) { j.push_back(matrix(i, column)); } return j; } // Sanitize a raw string by replacing invalid UTF-8 sequences with '?' // (to work around a bug in Open Babel space group output) std::string sanitizeUtf8(const std::string& s) { std::string result; result.reserve(s.size()); const unsigned char* bytes = reinterpret_cast(s.data()); size_t len = s.size(); for (size_t i = 0; i < len; ++i) { if (bytes[i] <= 0x7F) { result.push_back(static_cast(bytes[i])); continue; } size_t remaining = 0; if ((bytes[i] & 0xE0) == 0xC0) remaining = 1; else if ((bytes[i] & 0xF0) == 0xE0) remaining = 2; else if ((bytes[i] & 0xF8) == 0xF0) remaining = 3; else { result.push_back('?'); // invalid lead byte continue; } if (i + remaining >= len) { result.push_back('?'); // truncated sequence continue; } bool valid = true; for (size_t j = 1; j <= remaining; ++j) { if ((bytes[i + j] & 0xC0) != 0x80) { valid = false; break; } } if (valid) { for (size_t j = 0; j <= remaining; ++j) result.push_back(static_cast(bytes[i + j])); i += remaining; } else { result.push_back('?'); // invalid continuation } } return result; } bool CjsonFormat::read(std::istream& file, Molecule& molecule) { return deserialize(file, molecule, true); } bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, bool isJson) { json jsonRoot; // could throw parse errors try { if (isJson) jsonRoot = json::parse(file, nullptr, false); else // msgpack jsonRoot = json::from_msgpack(file); } catch (json::parse_error& e) { appendError("Error reading CJSON file: " + string(e.what())); return false; } catch (json::type_error& e) { appendError("Error reading CJSON file: " + string(e.what())); return false; } if (jsonRoot.is_discarded() && isJson) { // Initial parse failed - try sanitizing UTF-8 and re-parsing file.clear(); file.seekg(0); std::string content((std::istreambuf_iterator(file)), std::istreambuf_iterator()); std::string sanitizedContent = sanitizeUtf8(content); jsonRoot = json::parse(sanitizedContent, nullptr, false); } if (jsonRoot.is_discarded()) { appendError("Error reading CJSON file. Root is discarded."); return false; } if (!jsonRoot.is_object()) { appendError("Error: Input is not a JSON object."); return false; } auto jsonValue = jsonRoot.find("chemicalJson"); if (jsonValue == jsonRoot.end()) jsonValue = jsonRoot.find("chemical json"); if (jsonValue == jsonRoot.end()) { appendError("Error: no \"chemical json\" key found."); return false; } if (*jsonValue != 0 && *jsonValue != 1) { appendError("Warning: chemical json version is not 0 or 1."); return false; } // Read some basic key-value pairs (all strings). setJsonKey(jsonRoot, molecule, "name"); setJsonKey(jsonRoot, molecule, "inchi"); setJsonKey(jsonRoot, molecule, "formula"); // Read in the atoms. json atoms = jsonRoot["atoms"]; if (!atoms.is_object()) { appendError("The 'atoms' key does not contain an object."); return false; } if (!atoms.contains("elements")) { appendError("The 'atoms' key does not contain an 'elements' key."); return false; } if (atoms.contains("elements") && !atoms["elements"].is_object()) { appendError("The 'elements' key does not contain an object."); return false; } json elements = atoms["elements"]; if (!elements.contains("number")) { appendError("The 'elements' key does not contain a 'number' key."); return false; } json atomicNumbers = elements["number"]; // This represents our minimal spec for a molecule - atoms that have an // atomic number. if (isNumericArray(atomicNumbers) && atomicNumbers.size() > 0) { for (auto& atomicNumber : atomicNumbers) { if (!atomicNumber.is_number_integer() || atomicNumber < 0 || atomicNumber >= Core::element_count) { appendError("Error: atomic number is invalid."); return false; } molecule.addAtom(atomicNumber); } } else { // we're done, actually - this is an empty file return true; } Index atomCount = molecule.atomCount(); if (atoms.contains("coords") && atoms["coords"].is_object()) { if (atoms["coords"].contains("3d") && atoms["coords"]["3d"].is_array()) { json atomicCoords = atoms["coords"]["3d"]; if (isNumericArray(atomicCoords) && atomicCoords.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { auto a = molecule.atom(i); a.setPosition3d(Vector3(atomicCoords[3 * i], atomicCoords[3 * i + 1], atomicCoords[3 * i + 2])); } } } if (atoms["coords"].contains("3dSets")) { // Check for coordinate sets, and read them in if found, e.g. // trajectories. json coordSets = atoms["coords"]["3dSets"]; if (coordSets.is_array() && coordSets.size()) { for (unsigned int i = 0; i < coordSets.size(); ++i) { Array setArray; json set = coordSets[i]; if (isNumericArray(set)) { for (unsigned int j = 0; j < set.size() / 3; ++j) { setArray.push_back( Vector3(set[3 * j], set[3 * j + 1], set[3 * j + 2])); } molecule.setCoordinate3d(setArray, i); } } // Make sure the first step is active once we are done loading the sets. molecule.setCoordinate3d(0); } } } // Array of vector3 for forces if available if (atoms.contains("forces")) { json forces = atoms["forces"]; if (isNumericArray(forces) && forces.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { auto a = molecule.atom(i); a.setForceVector( Vector3(forces[3 * i], forces[3 * i + 1], forces[3 * i + 2])); } } } // labels if (atoms.contains("labels")) { json labels = atoms["labels"]; if (labels.is_array() && labels.size() == atomCount) { for (size_t i = 0; i < atomCount; ++i) { molecule.setAtomLabel(i, labels[i]); } } } // formal charges if (atoms.contains("formalCharges")) { json formalCharges = atoms["formalCharges"]; if (formalCharges.is_array() && formalCharges.size() == atomCount) { for (size_t i = 0; i < atomCount; ++i) { molecule.atom(i).setFormalCharge(formalCharges[i]); } } } // Read in colors if they are present. if (atoms.contains("colors")) { json colors = atoms["colors"]; if (colors.is_array() && colors.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { Vector3ub color(colors[3 * i], colors[3 * i + 1], colors[3 * i + 2]); molecule.setColor(i, color); } } } if (atoms.contains("properties")) { json atomProperties = atoms["properties"]; if (atomProperties.is_object()) { for (auto& property : atomProperties.items()) { if (property.value().is_array()) { // TODO: handle atom properties } } } } // Selection is optional, but if present should be loaded. if (atoms.contains("selected")) { json selection = atoms["selected"]; if (isBooleanArray(selection) && selection.size() == atomCount) for (Index i = 0; i < atomCount; ++i) molecule.setAtomSelected(i, selection[i]); else if (isNumericArray(selection) && selection.size() == atomCount) for (Index i = 0; i < atomCount; ++i) molecule.setAtomSelected(i, selection[i] != 0); } if (atoms.contains("frozen")) { json frozen = atoms["frozen"]; if (frozen.is_array() && frozen.size() == atomCount) { for (Index i = 0; i < atomCount; ++i) { bool freeze = false; if (frozen[i].is_number()) freeze = (frozen[i] != 0); else if (frozen[i].is_boolean()) freeze = frozen[i]; molecule.setFrozenAtom(i, freeze); } } // might also be a 3xN array for per-axis freezing else if (frozen.is_array() && frozen.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { bool freeze = false; if (frozen[3 * i].is_number()) freeze = (frozen[3 * i] != 0); else if (frozen[3 * i].is_boolean()) freeze = frozen[3 * i]; molecule.setFrozenAtomAxis(i, 0, freeze); if (frozen[3 * i + 1].is_number()) freeze = (frozen[3 * i + 1] != 0); else if (frozen[3 * i + 1].is_boolean()) freeze = frozen[3 * i + 1]; molecule.setFrozenAtomAxis(i, 1, freeze); if (frozen[3 * i + 2].is_number()) freeze = (frozen[3 * i + 2] != 0); else if (frozen[3 * i + 2].is_boolean()) freeze = frozen[3 * i + 2]; molecule.setFrozenAtomAxis(i, 2, freeze); } } } if (atoms.find("layer") != atoms.end()) { json layerJson = atoms["layer"]; if (isNumericArray(layerJson)) { auto& layer = LayerManager::getMoleculeInfo(&molecule)->layer; for (Index i = 0; i < atomCount && i < layerJson.size(); ++i) { while (layerJson[i] > layer.maxLayer()) { layer.addLayer(); } layer.addAtom(layerJson[i], i); } } } // look for isotopes if present if (atoms.contains("isotopes")) { json isotopes = atoms["isotopes"]; if (isNumericArray(isotopes) && isotopes.size() == atomCount) { for (Index i = 0; i < atomCount; ++i) molecule.setIsotope(i, isotopes[i]); } } // Bonds are optional, but if present should be loaded. if (jsonRoot.contains("bonds")) { json bonds = jsonRoot["bonds"]; if (bonds.is_object() && isNumericArray(bonds["connections"]["index"])) { json connections = bonds["connections"]["index"]; for (unsigned int i = 0; i < connections.size() / 2; ++i) { Index atom1 = static_cast(connections[2 * i]); Index atom2 = static_cast(connections[2 * i + 1]); if (atom1 < atomCount && atom2 < atomCount && atom1 != atom2) { // avoid self-bonds molecule.addBond(atom1, atom2, 1); } } if (bonds.contains("order")) { json order = bonds["order"]; if (isNumericArray(order)) { for (unsigned int i = 0; i < molecule.bondCount() && i < order.size(); ++i) { int bondOrder = static_cast(order[i]); if (bondOrder < 1 || bondOrder > 6) { appendError("Error: bond order is invalid."); return false; } molecule.bond(i).setOrder(bondOrder); } } } // are there bond labels? if (bonds.contains("labels")) { json bondLabels = bonds["labels"]; if (bondLabels.is_array()) { for (unsigned int i = 0; i < molecule.bondCount() && i < bondLabels.size(); ++i) { molecule.setBondLabel(i, bondLabels[i]); } } } if (bonds.contains("properties")) { json bondProperties = bonds["properties"]; if (bondProperties.is_object()) { for (auto& property : bondProperties.items()) { if (property.value().is_array()) { // TODO: handle bond properties } } } } } } // residues are optional, but should be loaded if (jsonRoot.contains("residues")) { json residues = jsonRoot["residues"]; if (residues.is_array()) { for (auto residue : residues) { if (!residue.is_object()) continue; // malformed // Validate required fields exist and have correct types if (!residue.contains("name") || !residue["name"].is_string()) continue; if (!residue.contains("id") || !residue["id"].is_number_integer()) continue; if (!residue.contains("chainId") || !residue["chainId"].is_number_integer()) continue; auto name = residue["name"].get(); auto id = static_cast(residue["id"]); auto chainId = static_cast(residue["chainId"].get()); Residue newResidue(name, id, chainId); if (residue.contains("hetero") && residue["hetero"] == true) newResidue.setHeterogen(true); int secStruct = residue.value("secStruct", -1); if (secStruct != -1) newResidue.setSecondaryStructure( static_cast( secStruct)); if (residue.contains("atoms") && residue["atoms"].is_object()) { json atomsResidue = residue["atoms"]; for (auto& item : atomsResidue.items()) { if (item.value().is_number_integer() && static_cast(item.value()) < molecule.atomCount()) { const Atom& atom = molecule.atom(static_cast(item.value())); newResidue.addResidueAtom(item.key(), atom); } } } if (residue.contains("color") && residue["color"].is_array() && residue["color"].size() == 3 && isNumericArray(residue["color"])) { json color = residue["color"]; Vector3ub col = Vector3ub(color[0], color[1], color[2]); newResidue.setColor(col); } molecule.addResidue(newResidue); if (residue.contains("label") && residue["label"].is_string()) molecule.setResidueLabel(molecule.residueCount() - 1, residue["label"]); } } } if (jsonRoot.contains("unitCell") || jsonRoot.contains("unit cell")) { json unitCell = jsonRoot["unitCell"]; if (!unitCell.is_object()) unitCell = jsonRoot["unit cell"]; if (unitCell.is_object()) { Core::UnitCell* unitCellObject = nullptr; // read in cell vectors in preference to a, b, c parameters json cellVectors = unitCell["cellVectors"]; if (cellVectors.is_array() && cellVectors.size() == 9 && isNumericArray(cellVectors)) { Vector3 aVector(cellVectors[0], cellVectors[1], cellVectors[2]); Vector3 bVector(cellVectors[3], cellVectors[4], cellVectors[5]); Vector3 cVector(cellVectors[6], cellVectors[7], cellVectors[8]); unitCellObject = new Core::UnitCell(aVector, bVector, cVector); if (!unitCellObject->isRegular()) { appendError("cellVectors are not linear independent"); delete unitCellObject; return false; } } else if (unitCell["a"].is_number() && unitCell["b"].is_number() && unitCell["c"].is_number() && unitCell["alpha"].is_number() && unitCell["beta"].is_number() && unitCell["gamma"].is_number()) { Real a = static_cast(unitCell["a"]); Real b = static_cast(unitCell["b"]); Real c = static_cast(unitCell["c"]); Real alpha = static_cast(unitCell["alpha"]) * DEG_TO_RAD; Real beta = static_cast(unitCell["beta"]) * DEG_TO_RAD; Real gamma = static_cast(unitCell["gamma"]) * DEG_TO_RAD; unitCellObject = new Core::UnitCell(a, b, c, alpha, beta, gamma); if (!unitCellObject->isRegular()) { appendError( "cell parameters do not give linear-independent lattice vectors"); delete unitCellObject; return false; } } if (unitCellObject != nullptr) { molecule.setUnitCell(unitCellObject); // check for Hall number if present if (unitCell["hallNumber"].is_number()) { auto hallNumber = static_cast(unitCell["hallNumber"]); if (hallNumber > 0 && hallNumber < 531) molecule.setHallNumber(hallNumber); } else if (unitCell["spaceGroup"].is_string()) { auto hallNumber = Core::SpaceGroups::hallNumber(unitCell["spaceGroup"]); if (hallNumber != 0) molecule.setHallNumber(hallNumber); } } } } if (atoms["coords"].contains("3dFractional") || atoms["coords"].contains("3d fractional")) { json fractional = atoms["coords"]["3dFractional"]; if (!fractional.is_array()) fractional = atoms["coords"]["3d fractional"]; if (fractional.is_array() && fractional.size() == 3 * atomCount && isNumericArray(fractional) && molecule.unitCell()) { Array fcoords; fcoords.reserve(atomCount); for (Index i = 0; i < atomCount; ++i) { fcoords.push_back(Vector3(static_cast(fractional[i * 3 + 0]), static_cast(fractional[i * 3 + 1]), static_cast(fractional[i * 3 + 2]))); } CrystalTools::setFractionalCoordinates(molecule, fcoords); } } // Basis set is optional, if present read it in. if (jsonRoot.contains("basisSet")) { json basisSet = jsonRoot["basisSet"]; if (basisSet.is_object()) { auto* basis = new GaussianSet; basis->setMolecule(&molecule); // Gather the relevant pieces together so that they can be read in. json shellTypes = basisSet["shellTypes"]; json primitivesPerShell = basisSet["primitivesPerShell"]; json shellToAtomMap = basisSet["shellToAtomMap"]; json exponents = basisSet["exponents"]; json coefficients = basisSet["coefficients"]; int nGTO = 0; for (unsigned int i = 0; i < shellTypes.size(); ++i) { GaussianSet::orbital type; switch (static_cast(shellTypes[i])) { case 0: type = GaussianSet::S; break; case 1: type = GaussianSet::P; break; case 2: type = GaussianSet::D; break; case -2: type = GaussianSet::D5; break; case 3: type = GaussianSet::F; break; case -3: type = GaussianSet::F7; break; case 4: type = GaussianSet::G; break; case -4: type = GaussianSet::G9; break; default: // If we encounter GTOs we do not understand, the basis is likely // invalid type = GaussianSet::UU; } if (type != GaussianSet::UU) { int b = basis->addBasis(static_cast(shellToAtomMap[i]), type); for (int j = 0; j < static_cast(primitivesPerShell[i]); ++j) { basis->addGto(b, coefficients[nGTO], exponents[nGTO]); ++nGTO; } } } json orbitals = jsonRoot["orbitals"]; if (orbitals.is_object() && basis->isValid()) { basis->setElectronCount(orbitals["electronCount"]); json occupations = orbitals["occupations"]; if (isNumericArray(occupations)) { std::vector occs; for (auto& occupation : occupations) occs.push_back(static_cast(occupation)); basis->setMolecularOrbitalOccupancy(occupations); } json energies = orbitals["energies"]; if (isNumericArray(energies)) { std::vector energyArray; for (auto& energie : energies) energyArray.push_back(static_cast(energie)); basis->setMolecularOrbitalEnergy(energyArray); } json numbers = orbitals["numbers"]; if (isNumericArray(numbers)) { std::vector numArray; for (auto& number : numbers) numArray.push_back(static_cast(number)); basis->setMolecularOrbitalNumber(numArray); } json symmetryLabels = orbitals["symmetries"]; if (symmetryLabels.is_array()) { std::vector symArray; for (auto& sym : symmetryLabels) symArray.push_back(sym); basis->setSymmetryLabels(symArray); } json moCoefficients = orbitals["moCoefficients"]; json moCoefficientsA = orbitals["alphaCoefficients"]; json moCoefficientsB = orbitals["betaCoefficients"]; bool openShell = false; if (isNumericArray(moCoefficients)) { std::vector coeffs; for (auto& moCoefficient : moCoefficients) coeffs.push_back(static_cast(moCoefficient)); basis->setMolecularOrbitals(coeffs); } else if (isNumericArray(moCoefficientsA) && isNumericArray(moCoefficientsB)) { std::vector coeffsA; for (auto& i : moCoefficientsA) coeffsA.push_back(static_cast(i)); std::vector coeffsB; for (auto& i : moCoefficientsB) coeffsB.push_back(static_cast(i)); basis->setMolecularOrbitals(coeffsA, BasisSet::Alpha); basis->setMolecularOrbitals(coeffsB, BasisSet::Beta); openShell = true; } else { std::cout << "No orbital cofficients found!" << std::endl; } // Check for orbital coefficient sets, these are paired with coordinates // when they exist, but have constant basis set, atom types, etc. if (orbitals["sets"].is_array() && orbitals["sets"].size()) { json orbSets = orbitals["sets"]; for (unsigned int idx = 0; idx < orbSets.size(); ++idx) { moCoefficients = orbSets[idx]["moCoefficients"]; moCoefficientsA = orbSets[idx]["alphaCoefficients"]; moCoefficientsB = orbSets[idx]["betaCoefficients"]; if (isNumericArray(moCoefficients)) { std::vector coeffs; for (auto& moCoefficient : moCoefficients) coeffs.push_back(static_cast(moCoefficient)); basis->setMolecularOrbitals(coeffs, BasisSet::Paired, idx); } else if (isNumericArray(moCoefficientsA) && isNumericArray(moCoefficientsB)) { std::vector coeffsA; for (auto& i : moCoefficientsA) coeffsA.push_back(static_cast(i)); std::vector coeffsB; for (auto& i : moCoefficientsB) coeffsB.push_back(static_cast(i)); basis->setMolecularOrbitals(coeffsA, BasisSet::Alpha, idx); basis->setMolecularOrbitals(coeffsB, BasisSet::Beta, idx); openShell = true; } } // Set the first step as active. basis->setActiveSetStep(0); } if (openShell) { // look for alpha and beta orbital energies json energiesA = orbitals["alphaEnergies"]; json energiesB = orbitals["betaEnergies"]; // check if they are numeric arrays if (isNumericArray(energiesA) && isNumericArray(energiesB)) { std::vector moEnergiesA; for (auto& i : energiesA) moEnergiesA.push_back(static_cast(i)); std::vector moEnergiesB; for (auto& i : energiesB) moEnergiesB.push_back(static_cast(i)); basis->setMolecularOrbitalEnergy(moEnergiesA, BasisSet::Alpha); basis->setMolecularOrbitalEnergy(moEnergiesB, BasisSet::Beta); // look for alpha and beta orbital occupations json occupationsA = orbitals["alphaOccupations"]; json occupationsB = orbitals["betaOccupations"]; // check if they are numeric arrays if (isNumericArray(occupationsA) && isNumericArray(occupationsB)) { std::vector moOccupationsA; for (auto& i : occupationsA) moOccupationsA.push_back(static_cast(i)); std::vector moOccupationsB; for (auto& i : occupationsB) moOccupationsB.push_back(static_cast(i)); basis->setMolecularOrbitalOccupancy(moOccupationsA, BasisSet::Alpha); basis->setMolecularOrbitalOccupancy(moOccupationsB, BasisSet::Beta); } } } } molecule.setBasisSet(basis); } } // See if there is any vibration data, load it if so. json vibrations = jsonRoot["vibrations"]; if (vibrations.is_object()) { json frequencies = vibrations["frequencies"]; if (isNumericArray(frequencies)) { Array freqs; for (auto& frequencie : frequencies) { freqs.push_back(static_cast(frequencie)); } molecule.setVibrationFrequencies(freqs); } json intensities = vibrations["intensities"]; if (isNumericArray(intensities)) { Array intens; for (auto& intensitie : intensities) { intens.push_back(static_cast(intensitie)); } molecule.setVibrationIRIntensities(intens); } json raman = vibrations["ramanIntensities"]; if (isNumericArray(raman)) { Array intens; for (auto& i : raman) { intens.push_back(static_cast(i)); } molecule.setVibrationRamanIntensities(intens); } json displacements = vibrations["eigenVectors"]; if (displacements.is_array()) { Array> disps; for (auto arr : displacements) { if (isNumericArray(arr)) { Array mode; mode.resize(arr.size() / 3); double* ptr = &mode[0][0]; for (auto& j : arr) { *(ptr++) = static_cast(j); } disps.push_back(mode); } } molecule.setVibrationLx(disps); } } // check for spectra data json spectra = jsonRoot["spectra"]; if (spectra.is_object()) { // electronic json electronic = spectra["electronic"]; if (electronic.is_object()) { // check to see "energies" and "intensities" json energies = electronic["energies"]; json intensities = electronic["intensities"]; // make sure they are both numeric arrays if (isNumericArray(energies) && isNumericArray(intensities)) { // make sure they are the same size if (energies.size() == intensities.size()) { // create the matrix MatrixX electronicData(energies.size(), 2); // copy the data for (std::size_t i = 0; i < energies.size(); ++i) { electronicData(i, 0) = energies[i]; electronicData(i, 1) = intensities[i]; } // set the data molecule.setSpectra("Electronic", electronicData); } } // check if there's CD data for "rotation" json rotation = electronic["rotation"]; if (isNumericArray(rotation) && rotation.size() == energies.size()) { MatrixX rotationData(rotation.size(), 2); for (std::size_t i = 0; i < rotation.size(); ++i) { rotationData(i, 0) = energies[i]; rotationData(i, 1) = rotation[i]; } molecule.setSpectra("CircularDichroism", rotationData); } } // nmr json nmr = spectra["nmr"]; if (nmr.is_object()) { // chemical shifts json chemicalShifts = nmr["shifts"]; if (isNumericArray(chemicalShifts)) { MatrixX chemicalShiftData(chemicalShifts.size(), 2); for (std::size_t i = 0; i < chemicalShifts.size(); ++i) { chemicalShiftData(i, 0) = static_cast(chemicalShifts[i]); chemicalShiftData(i, 1) = 1.0; } molecule.setSpectra("NMR", chemicalShiftData); } } } // constraints if (jsonRoot.find("constraints") != jsonRoot.end()) { json constraints = jsonRoot["constraints"]; if (constraints.is_array()) { for (auto& constraint : constraints) { if (isNumericArray(constraint)) { // value, atom1, atom2, atom3, atom4 if (constraint.size() == 3) { // bond molecule.addConstraint(constraint[0], constraint[1], constraint[2]); } else if (constraint.size() == 4) { // angle molecule.addConstraint(constraint[0], constraint[1], constraint[2], constraint[3]); } else if (constraint.size() == 5) { // torsion molecule.addConstraint(constraint[0], constraint[1], constraint[2], constraint[3], constraint[4]); } } } } } // properties if (jsonRoot.find("properties") != jsonRoot.end()) { json properties = jsonRoot["properties"]; if (properties.is_object()) { if (properties.find("totalCharge") != properties.end()) { molecule.setData("totalCharge", static_cast(properties["totalCharge"])); } if (properties.find("totalSpinMultiplicity") != properties.end()) { molecule.setData("totalSpinMultiplicity", static_cast(properties["totalSpinMultiplicity"])); } if (properties.find("dipoleMoment") != properties.end()) { // read the numeric array json dipole = properties["dipoleMoment"]; if (isNumericArray(dipole) && dipole.size() == 3) { Core::Variant dipoleMoment(dipole[0], dipole[1], dipole[2]); molecule.setData("dipoleMoment", dipoleMoment); } } // iterate through everything else for (auto& element : properties.items()) { if (element.key() == "totalCharge" || element.key() == "totalSpinMultiplicity" || element.key() == "dipoleMoment") { continue; } if (element.value().type() == json::value_t::array) { // check if it is a numeric array to go into Eigen::MatrixXd json j = element.value(); // convenience std::size_t rows = j.size(); MatrixX matrix; matrix.resize(rows, 1); // default to 1 columns bool isNumeric = true; for (std::size_t row = 0; row < j.size(); ++row) { const auto& jrow = j.at(row); // check to see if we have a simple vector or a matrix if (jrow.type() == json::value_t::array) { matrix.conservativeResize(rows, jrow.size()); for (std::size_t col = 0; col < jrow.size(); ++col) { const auto& value = jrow.at(col); if (value.type() == json::value_t::number_float || value.type() == json::value_t::number_integer || value.type() == json::value_t::number_unsigned) matrix(row, col) = value.get(); else { isNumeric = false; break; } } } else if (jrow.type() == json::value_t::number_float || jrow.type() == json::value_t::number_integer || jrow.type() == json::value_t::number_unsigned) { // just a row vector matrix(row, 0) = jrow.get(); } else { isNumeric = false; break; } } if (isNumeric) molecule.setData(element.key(), matrix); // TODO: add support for non-numeric arrays // std::cout << " property: " << element.key() << " = " << matrix // << " size " << matrix.rows() << 'x' << matrix.cols() // << std::endl; } else if (element.value().type() == json::value_t::number_float) { molecule.setData(element.key(), element.value().get()); } else if (element.value().type() == json::value_t::number_integer) { molecule.setData(element.key(), element.value().get()); } else if (element.value().type() == json::value_t::boolean) { molecule.setData(element.key(), element.value().get()); } else if (element.value().type() == json::value_t::string) { molecule.setData(element.key(), element.value().get()); } else { std::cout << " cannot store property: " << element.key() << " = " << element.value() << " type " << element.value().type_name() << std::endl; } } } } // inputParameters are calculation metadata if (jsonRoot.find("inputParameters") != jsonRoot.end()) { json inputParameters = jsonRoot["inputParameters"]; // add this as a string to the molecule data molecule.setData("inputParameters", inputParameters.dump()); } // Partial charges are optional, but if present should be loaded. json partialCharges; if (atoms.contains("partialCharges")) { partialCharges = atoms["partialCharges"]; } // some inconsistent files have it as part of the root if (jsonRoot.contains("partialCharges")) { partialCharges = jsonRoot["partialCharges"]; } if (partialCharges.is_object()) { // keys are types, values are arrays of charges for (auto& kv : partialCharges.items()) { MatrixX charges(atomCount, 1); if (isNumericArray(kv.value()) && kv.value().size() == atomCount) { for (size_t i = 0; i < kv.value().size(); ++i) { charges(i, 0) = kv.value()[i]; } molecule.setPartialCharges(kv.key(), charges); } } } // look for possible cube data if (jsonRoot.find("cube") != jsonRoot.end()) { json cubeObj = jsonRoot["cube"]; // get the limits Vector3 min, max, delta; Vector3i points; json origin = cubeObj["origin"]; json spacing = cubeObj["spacing"]; json dimensions = cubeObj["dimensions"]; json type = cubeObj["type"]; if (isNumericArray(origin) && origin.size() == 3 && isNumericArray(spacing) && spacing.size() == 3 && isNumericArray(dimensions) && dimensions.size() == 3) { Cube* cube = molecule.addCube(); // types if (type == "vdw") cube->setCubeType(Cube::VdW); else if (type == "solventAccessible") cube->setCubeType(Cube::SolventAccessible); else if (type == "solventExcluded") cube->setCubeType(Cube::SolventExcluded); else if (type == "esp") cube->setCubeType(Cube::ESP); else if (type == "electronDensity") cube->setCubeType(Cube::ElectronDensity); else if (type == "spinDensity") cube->setCubeType(Cube::SpinDensity); else if (type == "mo") cube->setCubeType(Cube::MO); else cube->setCubeType(Cube::FromFile); if (cubeObj.find("name") != cubeObj.end()) cube->setName(cubeObj["name"]); min = Vector3(origin[0], origin[1], origin[2]); points = Vector3i(dimensions[0], dimensions[1], dimensions[2]); delta = Vector3(spacing[0], spacing[1], spacing[2]); max = Vector3(min[0] + (points[0] - 1) * delta[0], min[1] + (points[1] - 1) * delta[1], min[2] + (points[2] - 1) * delta[2]); cube->setLimits(min, max, points); // check the length of the scalar array unsigned int expectedSize = points[0] * points[1] * points[2]; if (isNumericArray(cubeObj["scalars"]) && cubeObj["scalars"].size() == expectedSize) { cube->setData(cubeObj["scalars"]); } } } if (jsonRoot.find("layer") != jsonRoot.end()) { auto names = LayerManager::getMoleculeInfo(&molecule); json visible = jsonRoot["layer"]["visible"]; if (isBooleanArray(visible)) { for (const auto& v : visible) { names->visible.push_back(v); } } json locked = jsonRoot["layer"]["locked"]; if (isBooleanArray(locked)) { for (const auto& l : locked) { names->locked.push_back(l); } } json enables = jsonRoot["layer"]["enable"]; if (enables.is_object()) { for (const auto& enable : enables.items()) { if (isBooleanArray(enable.value())) { names->enable[enable.key()] = std::vector(); for (const auto& e : enable.value()) { names->enable[enable.key()].push_back(e); } } } } json settings = jsonRoot["layer"]["settings"]; if (settings.is_object()) { for (const auto& setting : settings.items()) { if (isBooleanArray(setting.value())) { names->settings[setting.key()] = Core::Array(); for (const auto& s : setting.value()) { names->settings[setting.key()].push_back(new LayerData(s)); } } } } } return true; } bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) { return serialize(file, molecule, true); } bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool isJson) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); ordered_json root; root["chemicalJson"] = 1; if (opts.value("properties", true)) { if (molecule.data("name").type() == Variant::String) root["name"] = molecule.data("name").toString().c_str(); if (molecule.data("inchi").type() == Variant::String) root["inchi"] = molecule.data("inchi").toString().c_str(); } json properties; // these methods assume neutral singlet if not set // or approximate from formal charges and # of electrons properties["totalCharge"] = molecule.totalCharge(); properties["totalSpinMultiplicity"] = molecule.totalSpinMultiplicity(); // loop through all other properties const auto map = molecule.dataMap(); for (const auto& element : map) { if (element.first == "name" || element.first == "inchi") continue; // check for "inputParameters" and handle it separately if (element.first == "inputParameters") { json inputParameters = json::parse(element.second.toString()); root["inputParameters"] = inputParameters; continue; } // check if the key is atom.* or bond.* and handle it separately if (element.first.find("atom.") == 0 || element.first.find("bond.") == 0 || element.first.find("residue.") == 0) { continue; } if (element.second.type() == Variant::String) properties[element.first] = element.second.toString().c_str(); else if (element.second.type() == Variant::Double) properties[element.first] = element.second.toDouble(); else if (element.second.type() == Variant::Float) properties[element.first] = element.second.toFloat(); else if (element.second.type() == Variant::Int) properties[element.first] = element.second.toInt(); else if (element.second.type() == Variant::Bool) properties[element.first] = element.second.toBool(); else if (element.second.type() == Variant::Vector) { // e.g. dipole moment Vector3 v = element.second.toVector3(); json vector; vector.push_back(v.x()); vector.push_back(v.y()); vector.push_back(v.z()); properties[element.first] = vector; } else if (element.second.type() == Variant::Matrix) { MatrixX m = element.second.toMatrix(); json matrix; for (int i = 0; i < m.rows(); ++i) { json row; for (int j = 0; j < m.cols(); ++j) { row.push_back(m(i, j)); } matrix.push_back(row); } properties[element.first] = matrix; } } root["properties"] = properties; if (molecule.unitCell()) { json unitCell; unitCell["a"] = molecule.unitCell()->a(); unitCell["b"] = molecule.unitCell()->b(); unitCell["c"] = molecule.unitCell()->c(); unitCell["alpha"] = molecule.unitCell()->alpha() * RAD_TO_DEG; unitCell["beta"] = molecule.unitCell()->beta() * RAD_TO_DEG; unitCell["gamma"] = molecule.unitCell()->gamma() * RAD_TO_DEG; json vectors; vectors.push_back(molecule.unitCell()->aVector().x()); vectors.push_back(molecule.unitCell()->aVector().y()); vectors.push_back(molecule.unitCell()->aVector().z()); vectors.push_back(molecule.unitCell()->bVector().x()); vectors.push_back(molecule.unitCell()->bVector().y()); vectors.push_back(molecule.unitCell()->bVector().z()); vectors.push_back(molecule.unitCell()->cVector().x()); vectors.push_back(molecule.unitCell()->cVector().y()); vectors.push_back(molecule.unitCell()->cVector().z()); unitCell["cellVectors"] = vectors; // write the Hall number and space group unitCell["hallNumber"] = molecule.hallNumber(); unitCell["spaceGroup"] = Core::SpaceGroups::international(molecule.hallNumber()); root["unitCell"] = unitCell; } // check for spectra data // vibrations are separate if (molecule.spectraTypes().size() != 0) { json spectra, electronic, nmr; bool hasElectronic = false; for (const auto& type : molecule.spectraTypes()) { if (type == "Electronic") { hasElectronic = true; electronic["energies"] = eigenColToJson(molecule.spectra(type), 0); electronic["intensities"] = eigenColToJson(molecule.spectra(type), 1); } else if (type == "CircularDichroism") { electronic["rotation"] = eigenColToJson(molecule.spectra(type), 1); } else if (type == "NMR") { json data; data["shifts"] = eigenColToJson(molecule.spectra(type), 0); spectra["nmr"] = data; } } if (hasElectronic) { spectra["electronic"] = electronic; } root["spectra"] = spectra; } // Create a basis set/MO matrix we can round trip. if (molecule.basisSet() && dynamic_cast(molecule.basisSet())) { json basis; auto gaussian = dynamic_cast(molecule.basisSet()); // Map the shell types from enumeration to integer values. auto symmetry = gaussian->symmetry(); json shellTypes; for (int i : symmetry) { switch (i) { case GaussianSet::S: shellTypes.push_back(0); break; case GaussianSet::P: shellTypes.push_back(1); break; case GaussianSet::D: shellTypes.push_back(2); break; case GaussianSet::D5: shellTypes.push_back(-2); break; case GaussianSet::F: shellTypes.push_back(3); break; case GaussianSet::F7: shellTypes.push_back(-3); break; case GaussianSet::G: shellTypes.push_back(4); break; case GaussianSet::G9: shellTypes.push_back(-4); break; default: // Something bad, put in a silly number... shellTypes.push_back(426942); } } basis["shellTypes"] = shellTypes; // This bit is slightly tricky, map from our index to primitives per // shell. if (gaussian->gtoIndices().size() && gaussian->atomIndices().size()) { auto gtoIndices = gaussian->gtoIndices(); auto gtoA = gaussian->gtoA(); json primitivesPerShell; for (size_t i = 0; i < gtoIndices.size() - 1; ++i) primitivesPerShell.push_back(gtoIndices[i + 1] - gtoIndices[i]); primitivesPerShell.push_back(gtoA.size() - gtoIndices.back()); basis["primitivesPerShell"] = primitivesPerShell; auto atomIndices = gaussian->atomIndices(); json shellToAtomMap; for (unsigned int& atomIndice : atomIndices) shellToAtomMap.push_back(atomIndice); basis["shellToAtomMap"] = shellToAtomMap; auto gtoC = gaussian->gtoC(); json exponents; json coefficients; for (size_t i = 0; i < gtoA.size(); ++i) { exponents.push_back(gtoA[i]); coefficients.push_back(gtoC[i]); } basis["exponents"] = exponents; basis["coefficients"] = coefficients; // Write out the basis set if a valid one exists. root["basisSet"] = basis; } // Now get the MO matrix, potentially other things. Need to get a handle // on when we have just one (paired), or two (alpha and beta) to write. auto moMatrix = gaussian->moMatrix(); auto betaMatrix = gaussian->moMatrix(BasisSet::Beta); json moCoefficients; for (int j = 0; j < moMatrix.cols(); ++j) for (int i = 0; i < moMatrix.rows(); ++i) moCoefficients.push_back(moMatrix(i, j)); if (betaMatrix.cols() > 0 && betaMatrix.rows() > 0) { json moBeta; for (int j = 0; j < moMatrix.cols(); ++j) for (int i = 0; i < moMatrix.rows(); ++i) moBeta.push_back(moMatrix(i, j)); root["orbitals"]["alphaCoefficients"] = moCoefficients; root["orbitals"]["betaCoefficients"] = moBeta; } else { root["orbitals"]["moCoefficients"] = moCoefficients; } // Some energy, occupation, and number data potentially. auto energies = gaussian->moEnergy(); if (energies.size() > 0) { json energyData; for (double& energie : energies) { energyData.push_back(energie); } auto betaEnergies = gaussian->moEnergy(BasisSet::Beta); if (betaEnergies.size() > 0) { json betaEnergyData; for (double& energie : betaEnergies) { betaEnergyData.push_back(energie); } root["orbitals"]["alphaEnergies"] = energyData; root["orbitals"]["betaEnergies"] = betaEnergyData; } else root["orbitals"]["energies"] = energyData; } auto occ = gaussian->moOccupancy(); if (occ.size() > 0) { json occData; for (unsigned char& it : occ) occData.push_back(static_cast(it)); auto betaOcc = gaussian->moOccupancy(BasisSet::Beta); if (betaOcc.size() > 0) { json betaOccData; for (unsigned char& it : betaOcc) betaOccData.push_back(static_cast(it)); root["orbitals"]["alphaOccupations"] = occData; root["orbitals"]["betaOccupations"] = betaOccData; } else root["orbitals"]["occupations"] = occData; } auto num = gaussian->moNumber(); if (num.size() > 0) { json numData; for (unsigned int& it : num) numData.push_back(it); root["orbitals"]["numbers"] = numData; } root["orbitals"]["electronCount"] = gaussian->electronCount(); } // Write out any cubes that are present in the molecule. if (molecule.cubeCount() > 0) { json cubeObj; const Cube* cube = molecule.cube(0); // Get the origin, max, spacing, and dimensions to place in the object. json cubeMin; cubeMin.push_back(cube->min().x()); cubeMin.push_back(cube->min().y()); cubeMin.push_back(cube->min().z()); cubeObj["origin"] = cubeMin; json cubeSpacing; cubeSpacing.push_back(cube->spacing().x()); cubeSpacing.push_back(cube->spacing().y()); cubeSpacing.push_back(cube->spacing().z()); cubeObj["spacing"] = cubeSpacing; json cubeDims; cubeDims.push_back(cube->dimensions().x()); cubeDims.push_back(cube->dimensions().y()); cubeDims.push_back(cube->dimensions().z()); cubeObj["dimensions"] = cubeDims; // type switch (cube->cubeType()) { case Cube::VdW: cubeObj["type"] = "vdw"; break; case Cube::SolventAccessible: cubeObj["type"] = "solventAccessible"; break; case Cube::SolventExcluded: cubeObj["type"] = "solventExcluded"; break; case Cube::ESP: cubeObj["type"] = "esp"; break; case Cube::ElectronDensity: cubeObj["type"] = "electronDensity"; break; case Cube::SpinDensity: cubeObj["type"] = "spinDensity"; break; case Cube::MO: cubeObj["type"] = "mo"; break; case Cube::FromFile: default: cubeObj["type"] = "fromFile"; break; } // name cubeObj["name"] = cube->name(); json cubeData; for (float it : *cube->data()) { cubeData.push_back(it); } cubeObj["scalars"] = cubeData; root["cube"] = cubeObj; } // Create and populate the atom arrays. if (molecule.atomCount()) { json atoms; json elements; json selected; json colors; Vector3ub color; bool hasCustomColors = molecule.colors().size() == molecule.atomCount(); for (Index i = 0; i < molecule.atomCount(); ++i) { elements.push_back(molecule.atom(i).atomicNumber()); selected.push_back(molecule.atomSelected(i)); color = molecule.color(i); colors.push_back(color.x()); colors.push_back(color.y()); colors.push_back(color.z()); } atoms["elements"]["number"] = elements; if (!molecule.isSelectionEmpty()) atoms["selected"] = selected; if (hasCustomColors) atoms["colors"] = colors; // check for frozen atoms json frozen; // any atoms frozen? bool anyFrozen = false; // any atoms with custom axis? // (i.e., we need to save the matrix) bool axisFrozen = false; Eigen::VectorXd frozenAtomMask = molecule.frozenAtomMask(); for (Index i = 0; i < molecule.atomCount(); ++i) { if (molecule.frozenAtom(i)) { anyFrozen = true; frozen.push_back(1); } else { frozen.push_back(0); } // check for custom axis if (i * 3 + 2 < frozenAtomMask.size()) { Real sum = frozenAtomMask[3 * i] + frozenAtomMask[3 * i + 1] + frozenAtomMask[3 * i + 2]; // check if it's not all frozen or all unfrozen if (sum != 3.0 && sum != 0.0) { axisFrozen = true; } } } if (anyFrozen) { atoms["frozen"] = frozen; } if (axisFrozen) { // iterate through the mask as an array json frozenAtomMaskArray; for (Index i = 0; i < frozenAtomMask.size(); ++i) { frozenAtomMaskArray.push_back(frozenAtomMask[i]); } atoms["frozen"] = frozenAtomMaskArray; } // check for partial charges auto partialCharges = molecule.partialChargeTypes(); if (!partialCharges.empty()) { // add them to the atoms object for (const auto& type : partialCharges) { MatrixX chargesMatrix = molecule.partialCharges(type); json charges; for (Index i = 0; i < molecule.atomCount(); ++i) { charges.push_back(chargesMatrix(i, 0)); } atoms["partialCharges"][type] = charges; } } json coords; // 3d positions: if (molecule.atomPositions3d().size() == molecule.atomCount()) { // everything gets real-space Cartesians json coords3d; for (const auto& it : molecule.atomPositions3d()) { coords3d.push_back(it.x()); coords3d.push_back(it.y()); coords3d.push_back(it.z()); } coords["3d"] = coords3d; // if the unit cell exists, also write fractional coords if (molecule.unitCell()) { json coordsFractional; Array fcoords; CrystalTools::fractionalCoordinates( *molecule.unitCell(), molecule.atomPositions3d(), fcoords); for (auto& fcoord : fcoords) { coordsFractional.push_back(fcoord.x()); coordsFractional.push_back(fcoord.y()); coordsFractional.push_back(fcoord.z()); } coords["3dFractional"] = coordsFractional; } // if the molecule has multiple coordinate sets, write them out if (molecule.coordinate3dCount() > 1) { json coords3dSets; for (Index i = 0; i < molecule.coordinate3dCount(); ++i) { json coordsSet; const auto& positions = molecule.coordinate3d(i); for (const auto& it : positions) { coordsSet.push_back(it.x()); coordsSet.push_back(it.y()); coordsSet.push_back(it.z()); } coords3dSets.push_back(coordsSet); } coords["3dSets"] = coords3dSets; } } // 2d positions: if (molecule.atomPositions2d().size() == molecule.atomCount()) { json coords2d; for (const auto& it : molecule.atomPositions2d()) { coords2d.push_back(it.x()); coords2d.push_back(it.y()); } coords["2d"] = coords2d; } atoms["coords"] = coords; // forces if present const auto forceVectors = molecule.forceVectors(); if (forceVectors.size() == molecule.atomCount()) { json forces; for (const auto& force : forceVectors) { forces.push_back(force.x()); forces.push_back(force.y()); forces.push_back(force.z()); } atoms["forces"] = forces; } // check for atom labels Array atomLabels = molecule.atomLabels(); if (atomLabels.size() == molecule.atomCount()) { json labels; for (Index i = 0; i < molecule.atomCount(); ++i) { labels.push_back(atomLabels[i]); } atoms["labels"] = labels; } // formal charges json formalCharges; bool hasFormalCharges = false; for (size_t i = 0; i < molecule.atomCount(); ++i) { formalCharges.push_back(molecule.formalCharge(i)); if (molecule.formalCharge(i) != 0) hasFormalCharges = true; } if (hasFormalCharges) atoms["formalCharges"] = formalCharges; // isotopes (if present) json isotopes; const auto isotopeList = molecule.isotopes(); if (isotopeList.size() == molecule.atomCount()) { for (Index i = 0; i < molecule.atomCount(); ++i) { isotopes.push_back(isotopeList[i]); } atoms["isotopes"] = isotopes; } auto layer = LayerManager::getMoleculeInfo(&molecule)->layer; if (layer.atomCount() && molecule.atomCount()) { json atomLayer; // Use molecule atom count to avoid writing stale layer data for (Index i = 0; i < molecule.atomCount(); ++i) { atomLayer.push_back(layer.getLayerID(i)); } atoms["layer"] = atomLayer; } // TODO check for atom properties root["atoms"] = atoms; // end atoms } // Create and populate the bond arrays. if (molecule.bondCount()) { json bonds; json connections; json order; for (Index i = 0; i < molecule.bondCount(); ++i) { Bond bond = molecule.bond(i); connections.push_back(bond.atom1().index()); connections.push_back(bond.atom2().index()); order.push_back(bond.order()); } bonds["connections"]["index"] = connections; bonds["order"] = order; // check if there are bond labels Array bondLabels = molecule.bondLabels(); if (bondLabels.size() == molecule.bondCount()) { json labels; for (Index i = 0; i < molecule.bondCount(); ++i) { labels.push_back(bondLabels[i]); } bonds["labels"] = labels; } // TODO check for bond properties root["bonds"] = bonds; } // Create and populate any residue arrays if (molecule.residues().size() > 0) { json residues; // array of objects Array residueLabels = molecule.residueLabels(); for (auto residue : molecule.residues()) { json entry; entry["name"] = residue.residueName(); entry["id"] = residue.residueId(); entry["chainId"] = residue.chainId(); entry["secStruct"] = residue.secondaryStructure(); if (residue.isHeterogen()) entry["hetero"] = true; json color; color.push_back(residue.color()[0]); color.push_back(residue.color()[1]); color.push_back(residue.color()[2]); entry["color"] = color; json atoms; for (const auto& item : residue.atomNameMap()) { // dictionary between names and atom Id atoms[item.first] = item.second.index(); } entry["atoms"] = atoms; residues.push_back(entry); // do we have custom residue labels? if (residueLabels.size() > residue.residueId() + 1) { entry["label"] = residueLabels[residue.residueId()]; } } root["residues"] = residues; // TODO check for residue properties } // any constraints? auto constraintList = molecule.constraints(); if (!constraintList.empty()) { json constraints; for (auto& constraint : constraintList) { json constraintEntry; constraintEntry.push_back(constraint.value()); constraintEntry.push_back(constraint.aIndex()); constraintEntry.push_back(constraint.bIndex()); if (constraint.cIndex() != MaxIndex) { constraintEntry.push_back(constraint.cIndex()); } if (constraint.dIndex() != MaxIndex) { constraintEntry.push_back(constraint.dIndex()); } constraints.push_back(constraintEntry); } root["constraints"] = constraints; } // If there is vibrational data write this out too. if (molecule.vibrationFrequencies().size() > 0 && (molecule.vibrationFrequencies().size() == molecule.vibrationIRIntensities().size())) { json vibrations; json modes; json freqs; json inten; json raman; json eigenVectors; for (size_t i = 0; i < molecule.vibrationFrequencies().size(); ++i) { modes.push_back(static_cast(i) + 1); freqs.push_back(molecule.vibrationFrequencies()[i]); inten.push_back(molecule.vibrationIRIntensities()[i]); if (molecule.vibrationRamanIntensities().size() > i) raman.push_back(molecule.vibrationRamanIntensities()[i]); Core::Array atomDisplacements = molecule.vibrationLx(i); json eigenVector; for (auto pos : atomDisplacements) { eigenVector.push_back(pos[0]); eigenVector.push_back(pos[1]); eigenVector.push_back(pos[2]); } eigenVectors.push_back(eigenVector); } vibrations["modes"] = modes; vibrations["frequencies"] = freqs; vibrations["intensities"] = inten; if (molecule.vibrationRamanIntensities().size() > 0) vibrations["ramanIntensities"] = raman; vibrations["eigenVectors"] = eigenVectors; root["vibrations"] = vibrations; } auto names = LayerManager::getMoleculeInfo(&molecule); json layer; json visible; for (const bool v : names->visible) { visible.push_back(v); } layer["visible"] = visible; json locked; for (const bool l : names->locked) { locked.push_back(l); } layer["locked"] = locked; for (const auto& enables : names->enable) { json enable; for (const bool e : enables.second) { enable.push_back(e); } layer["enable"][enables.first] = enable; } for (const auto& settings : names->settings) { json setting; for (const auto& e : settings.second) { setting.push_back(e->serialize()); } layer["settings"][settings.first] = setting; } root["layer"] = layer; if (isJson) #ifndef NDEBUG // if debugging, pretty print file << std::setw(2) << root; #else // release mode file << root; #endif else { // write msgpack json::to_msgpack(root, file); } return true; } vector CjsonFormat::fileExtensions() const { vector ext; ext.emplace_back("cjson"); return ext; } vector CjsonFormat::mimeTypes() const { vector mime; mime.emplace_back("chemical/x-cjson"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/cjsonformat.h000066400000000000000000000036571516317240700244140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_CJSONFORMAT_H #define AVOGADRO_IO_CJSONFORMAT_H #include "fileformat.h" namespace Avogadro { namespace Core { class GaussianSet; } namespace Io { /** * @class CjsonFormat cjsonformat.h * @brief Implementation of the Chemical JSON format. */ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat { public: CjsonFormat() = default; ~CjsonFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new CjsonFormat; } std::string identifier() const override { return "Avogadro: CJSON"; } std::string name() const override { return "Chemical JSON"; } std::string description() const override { return "CJSON format is a lightweight intermediate format used to exchange " "information between Avogadro and other data parsing applications"; } std::string specificationUrl() const override { return "https://github.com/openchemistry/chemicaljson"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; // internal - to allow JSON or MsgPack to be written bool deserialize(std::istream& in, Core::Molecule& molecule, bool json); bool serialize(std::ostream& out, const Core::Molecule& molecule, bool json); }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_CJSONFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/cmlformat.cpp000066400000000000000000000561611516317240700244040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cmlformat.h" #ifdef AVO_USE_HDF5 #include "hdf5dataformat.h" #endif #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::Io { using std::string; using namespace std::string_literals; using pugi::xml_attribute; using pugi::xml_document; using pugi::xml_node; using namespace Core; namespace { class CmlFormatPrivate { public: CmlFormatPrivate(Molecule* mol, xml_document& document, std::string filename_) : success(false), molecule(mol), moleculeNode(nullptr), filename(filename_) { // Parse the CML document, and create molecules/elements as necessary. moleculeNode = document.child("molecule"); xml_node cmlNode = document.child("cml"); if (cmlNode) moleculeNode = cmlNode.child("molecule"); if (moleculeNode) { // Parse the various components we know about. #ifdef AVO_USE_HDF5 data(); #endif success = properties(); if (success) success = atoms(); if (success) success = bonds(); } else { error += "Error, no molecule node found."; success = false; } } bool properties() { xml_attribute attribute; xml_node node; node = moleculeNode.child("name"); if (node && node.value()) molecule->setData("name", std::string(node.child_value())); node = moleculeNode.child("identifier"); if (node && node.value()) { attribute = node.attribute("convention"); if (attribute && std::string(attribute.value()) == "iupac:inchi") { attribute = node.attribute("value"); if (attribute && std::string(attribute.name()) == "value") molecule->setData("inchi", std::string(attribute.value())); } } // Unit cell: node = moleculeNode.child("crystal"); if (node) { float a(0); float b(0); float c(0); float alpha(0); float beta(0); float gamma(0); enum { CellA = 0, CellB, CellC, CellAlpha, CellBeta, CellGamma }; std::bitset<6> parsedValues; for (pugi::xml_node scalar = node.child("scalar"); scalar; scalar = scalar.next_sibling("scalar")) { pugi::xml_attribute title = scalar.attribute("title"); if (title) { std::string titleStr(title.value()); if (titleStr == "a") { a = scalar.text().as_float(); parsedValues.set(CellA); } else if (titleStr == "b") { b = scalar.text().as_float(); parsedValues.set(CellB); } else if (titleStr == "c") { c = scalar.text().as_float(); parsedValues.set(CellC); } else if (titleStr == "alpha") { alpha = scalar.text().as_float() * DEG_TO_RAD_F; parsedValues.set(CellAlpha); } else if (titleStr == "beta") { beta = scalar.text().as_float() * DEG_TO_RAD_F; parsedValues.set(CellBeta); } else if (titleStr == "gamma") { gamma = scalar.text().as_float() * DEG_TO_RAD_F; parsedValues.set(CellGamma); } } } if (parsedValues.count() != 6) { error += "Incomplete unit cell description."; return false; } // look for space group, e.g. // xml_node symmetry = node.child("symmetry"); unsigned short hall = 0; if (symmetry) { xml_attribute spaceGroup = symmetry.attribute("spaceGroup"); if (spaceGroup) { // look for space group in the space group table hall = Core::SpaceGroups::hallNumber(std::string(spaceGroup.value())); } } auto* cell = new UnitCell; cell->setCellParameters(a, b, c, alpha, beta, gamma); if (!cell->isRegular()) { error += " does not give linear independent lattice vectors"; delete cell; return false; } molecule->setUnitCell(cell); if (hall != 0) molecule->setHallNumber(hall); } return true; } bool atoms() { xml_node atomArray = moleculeNode.child("atomArray"); if (!atomArray) return false; xml_node node = atomArray.child("atom"); Atom atom; while (node) { // Step through all of the atom attributes and store them. { /* Element Attribute Check */ xml_attribute elementAtt = node.attribute("elementType"); if (elementAtt) { unsigned char atomicNumber = Elements::atomicNumberFromSymbol(elementAtt.value()); atom = molecule->addAtom(atomicNumber); } else { // There is no element data, this atom node is corrupt. error += "Warning, corrupt element node found."; return false; } } { /* ID Attribute Check */ xml_attribute idAtt = node.attribute("id"); if (idAtt) atomIds[std::string(idAtt.value())] = atom.index(); else // Atom nodes must have IDs - bail. return false; } // Check for 3D geometry. { /* XYZ3 and Fract Attribute Check */ xml_attribute x3Att = node.attribute("x3"); xml_attribute xFractAtt = node.attribute("xFract"); if (x3Att) { xml_attribute y3 = node.attribute("y3"); xml_attribute z3 = node.attribute("z3"); if (y3 && z3) { auto x = lexicalCast(x3Att.value()); auto y = lexicalCast(y3.value()); auto z = lexicalCast(z3.value()); if (x && y && z) { // It looks like we have a valid 3D position. Vector3 position(*x, *y, *z); atom.setPosition3d(position); } else { error += "x3, y3 or z3 attribute is malformed: ["s + x3Att.value() + ", "s + y3.value() + ", "s + z3.value() + "]."s; return false; } } else { // Corrupt 3D position supplied for atom. return false; } } else if (xFractAtt) { if (!molecule->unitCell()) { error += "No unit cell defined. " "Cannot interpret fractional coordinates."; return false; } xml_attribute yF = node.attribute("yFract"); xml_attribute zF = node.attribute("zFract"); if (yF && zF) { Vector3 coord(static_cast(xFractAtt.as_float()), static_cast(yF.as_float()), static_cast(zF.as_float())); molecule->unitCell()->toCartesian(coord, coord); atom.setPosition3d(coord); } else { error += "Missing y or z fractional coordinate on atom."; return false; } } } // Check for 2D geometry. { /* XY2 Attribute Check */ xml_attribute x2Att = node.attribute("x2"); if (x2Att) { xml_attribute y2 = node.attribute("y2"); if (y2) { auto x = lexicalCast(x2Att.value()); auto y = lexicalCast(y2.value()); if (x && y) { Vector2 position(*x, *y); atom.setPosition2d(position); } else { error += "x2 or y2 attribute is malformed: ["s + x2Att.value() + ", "s + y2.value() + "]."s; return false; } } else { // Corrupt 2D position supplied for atom. return false; } } } // Check formal charge. { /* Formal Charge Attribute Check */ xml_attribute formalChargeAtt = node.attribute("formalCharge"); if (formalChargeAtt) { if (auto formalCharge = lexicalCast(formalChargeAtt.value())) { atom.setFormalCharge(*formalCharge); } else { error += "formalCharge attribute is malformed: "s + formalChargeAtt.value(); return false; } } } // Move on to the next atom node (if there is one). node = node.next_sibling("atom"); } return true; } bool bonds() { xml_node bondArray = moleculeNode.child("bondArray"); if (!bondArray) return true; xml_node node = bondArray.child("bond"); while (node) { xml_attribute attribute = node.attribute("atomRefs2"); Bond bond; if (attribute) { // Should contain two elements separated by a space. std::string refs(attribute.value()); std::vector tokens = split(refs, ' '); if (tokens.size() != 2) // Corrupted file/input we don't understand return false; std::map::const_iterator begin, end; begin = atomIds.find(tokens[0]); end = atomIds.find(tokens[1]); if (begin != atomIds.end() && end != atomIds.end() && begin->second < molecule->atomCount() && end->second < molecule->atomCount()) { bond = molecule->addBond(molecule->atom(begin->second), molecule->atom(end->second)); } else { // Couldn't parse the bond begin and end. return false; } } if (!bond.isValid()) { // Couldn't create the bond. return false; } attribute = node.attribute("order"); if (attribute && strlen(attribute.value()) == 1) { char o = attribute.value()[0]; switch (o) { case '1': case 'S': case 's': bond.setOrder(1); break; case '2': case 'D': case 'd': bond.setOrder(2); break; case '3': case 'T': case 't': bond.setOrder(3); break; case '4': bond.setOrder(4); break; case '5': bond.setOrder(5); break; case '6': bond.setOrder(6); break; default: bond.setOrder(1); } } else { bond.setOrder(1); } // Move on to the next bond node (if there is one). node = node.next_sibling("bond"); } return true; } #ifdef AVO_USE_HDF5 bool data() { xml_node dataNode = moleculeNode.child("dataMap").first_child(); if (!dataNode) return true; // Check if HDF5 file exists before attempting to open it bool hdf5Available = false; Hdf5DataFormat hdf5; if (std::ifstream(filename + ".h5").good()) { if (hdf5.openFile(filename + ".h5", Hdf5DataFormat::ReadOnly)) { hdf5Available = true; } } do { std::string dataNodeName = dataNode.name(); std::string dataName = dataNode.attribute("name").as_string(); std::string dataType = dataNode.attribute("dataType").as_string(); std::stringstream dataStream(dataNode.text().as_string()); Variant variant; // Read data from HDF5? if (dataNodeName == "hdf5data") { if (!hdf5Available) { error += "CmlFormatPrivate::data: Cannot read data member '" + dataName + "'. Cannot open file " + filename + ".h5."; continue; } if (dataType != "xsd:double") { error += "CmlFormatPrivate::data: Cannot read data member '" + dataName + "'. Data type is not 'double'."; continue; } MatrixX matrix; if (!hdf5.readDataset(dataStream.str(), matrix)) { error += "CmlFormatPrivate::data: Cannot read data member '" + dataName + "': Unable to read data set '" + dataStream.str() + "' from " + filename + ".h5"; continue; } variant.setValue(matrix); } // or read data from CML? else if (dataNodeName == "scalar") { if (dataType == "xsd:boolean") { bool tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:int") { int tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:long") { long tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:float") { float tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:double") { double tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:string") { string tmp; dataStream >> tmp; variant.setValue(tmp); } else { error += "CmlFormatPrivate::data: handled scalar data type: " + dataType; continue; } } molecule->setData(dataName, variant); } while ((dataNode = dataNode.next_sibling())); if (hdf5Available) hdf5.closeFile(); return true; } #endif bool success; Molecule* molecule; xml_node moleculeNode; std::map atomIds; string filename; string error; }; } // namespace bool CmlFormat::read(std::istream& file, Core::Molecule& mol) { xml_document document; pugi::xml_parse_result result = document.load(file); if (!result) { appendError("Error parsing XML: " + std::string(result.description())); return false; } CmlFormatPrivate parser(&mol, document, fileName()); if (!parser.success) appendError(parser.error); return parser.success; } std::string formatNumber(std::stringstream& s, double n) { s.str(""); // clear it s.precision(6); s << n; return s.str(); } std::string formatNumber(std::stringstream& s, int n) { s.str(""); // clear it s << n; return s.str(); } bool CmlFormat::write(std::ostream& out, const Core::Molecule& mol) { xml_document document; // Imbue the output stream with the C numeric locale // i.e. modify current stream locale with "C" numeric std::locale currentLocale(""); std::locale numLocale(out.getloc(), "C", std::locale::numeric); out.imbue(numLocale); // imbue modified locale // We also need to set the locale temporarily for XML string formatting std::stringstream numberStream; // use this to format floats as C-format strings numberStream.imbue(numLocale); // Add a custom declaration node. xml_node declaration = document.prepend_child(pugi::node_declaration); declaration.append_attribute("version") = "1.0"; declaration.append_attribute("encoding") = "UTF-8"; xml_node moleculeNode = document.append_child("molecule"); // Standard XML namespaces for CML. moleculeNode.append_attribute("xmlns") = "http://www.xml-cml.org/schema"; moleculeNode.append_attribute("xmlns:cml") = "http://www.xml-cml.org/dictionary/cml"; moleculeNode.append_attribute("xmlns:units") = "http://www.xml-cml.org/unit/nonSi"; moleculeNode.append_attribute("xmlns:xsd") = "http://www.w3c.org/2001/XMLSchema"; moleculeNode.append_attribute("xmlns:iupac") = "http://www.iupac.org"; // Save the name if present into the file. if (mol.data("name").type() == Variant::String) { xml_node node = moleculeNode.append_child("name"); node.text() = mol.data("name").toString().c_str(); } // If the InChI is available, embed that in the CML file. if (mol.data("inchi").type() == Variant::String) { xml_node node = moleculeNode.append_child("identifier"); node.append_attribute("convention") = "iupac:inchi"; node.append_attribute("value") = mol.data("inchi").toString().c_str(); } // Cell specification const UnitCell* cell = mol.unitCell(); if (cell) { xml_node crystalNode = moleculeNode.append_child("crystal"); // Add the unit cell parameters. xml_node crystalANode = crystalNode.append_child("scalar"); xml_node crystalBNode = crystalNode.append_child("scalar"); xml_node crystalCNode = crystalNode.append_child("scalar"); xml_node crystalAlphaNode = crystalNode.append_child("scalar"); xml_node crystalBetaNode = crystalNode.append_child("scalar"); xml_node crystalGammaNode = crystalNode.append_child("scalar"); crystalANode.append_attribute("title") = "a"; crystalBNode.append_attribute("title") = "b"; crystalCNode.append_attribute("title") = "c"; crystalAlphaNode.append_attribute("title") = "alpha"; crystalBetaNode.append_attribute("title") = "beta"; crystalGammaNode.append_attribute("title") = "gamma"; crystalANode.append_attribute("units") = "units:angstrom"; crystalBNode.append_attribute("units") = "units:angstrom"; crystalCNode.append_attribute("units") = "units:angstrom"; crystalAlphaNode.append_attribute("units") = "units:degree"; crystalBetaNode.append_attribute("units") = "units:degree"; crystalGammaNode.append_attribute("units") = "units:degree"; crystalANode.text() = formatNumber(numberStream, cell->a()).c_str(); crystalBNode.text() = formatNumber(numberStream, cell->b()).c_str(); crystalCNode.text() = formatNumber(numberStream, cell->c()).c_str(); crystalAlphaNode.text() = formatNumber(numberStream, cell->alpha() * RAD_TO_DEG).c_str(); crystalBetaNode.text() = formatNumber(numberStream, cell->beta() * RAD_TO_DEG).c_str(); crystalGammaNode.text() = formatNumber(numberStream, cell->gamma() * RAD_TO_DEG).c_str(); // add the space group unsigned short hall = mol.hallNumber(); if (hall != 0) { xml_node spaceGroupNode = crystalNode.append_child("symmetry"); spaceGroupNode.append_attribute("spaceGroup") = Core::SpaceGroups::international(hall); } } xml_node atomArrayNode = moleculeNode.append_child("atomArray"); for (Index i = 0; i < mol.atomCount(); ++i) { xml_node atomNode = atomArrayNode.append_child("atom"); std::ostringstream index; index << 'a' << i + 1; atomNode.append_attribute("id") = index.str().c_str(); Atom a = mol.atom(i); atomNode.append_attribute("elementType") = Elements::symbol(a.atomicNumber()); if (cell) { Vector3 fracPos = cell->toFractional(a.position3d()); atomNode.append_attribute("xFract") = formatNumber(numberStream, fracPos.x()).c_str(); atomNode.append_attribute("yFract") = formatNumber(numberStream, fracPos.y()).c_str(); atomNode.append_attribute("zFract") = formatNumber(numberStream, fracPos.z()).c_str(); } else { atomNode.append_attribute("x3") = formatNumber(numberStream, a.position3d().x()).c_str(); atomNode.append_attribute("y3") = formatNumber(numberStream, a.position3d().y()).c_str(); atomNode.append_attribute("z3") = formatNumber(numberStream, a.position3d().z()).c_str(); } if (a.formalCharge() != 0) { atomNode.append_attribute("formalCharge") = formatNumber(numberStream, a.formalCharge()).c_str(); } } xml_node bondArrayNode = moleculeNode.append_child("bondArray"); for (Index i = 0; i < mol.bondCount(); ++i) { xml_node bondNode = bondArrayNode.append_child("bond"); Bond b = mol.bond(i); std::ostringstream index; index << "a" << b.atom1().index() + 1 << " a" << b.atom2().index() + 1; bondNode.append_attribute("atomRefs2") = index.str().c_str(); bondNode.append_attribute("order") = b.order(); } #ifdef AVO_USE_HDF5 Hdf5DataFormat hdf5; bool openFile = true; xml_node dataMapNode = moleculeNode.append_child("dataMap"); VariantMap dataMap = mol.dataMap(); for (VariantMap::const_iterator it = dataMap.constBegin(), itEnd = dataMap.constEnd(); it != itEnd; ++it) { const std::string& name_ = (*it).first; // Skip names that are handled elsewhere: if (name_ == "inchi") continue; const Variant& var = (*it).second; if (var.type() == Variant::Null) { appendError("CmlFormat::writeFile: skipping null dataMap member '" + name_ + "'."); continue; } xml_node dataNode = dataMapNode.append_child(); dataNode.append_attribute("name") = name_.c_str(); switch (var.type()) { case Variant::Null: // Already skipped above break; case Variant::Bool: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:boolean"; dataNode.text() = var.toBool(); break; case Variant::Int: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:int"; dataNode.text() = var.toInt(); break; case Variant::Long: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:long"; dataNode.text() = var.toString().c_str(); break; case Variant::Float: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:float"; dataNode.text() = var.toFloat(); break; case Variant::Double: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:double"; dataNode.text() = var.toDouble(); break; case Variant::Pointer: appendError( "CmlFormat::writeFile: Skipping void* molecule data member '" + name_ + "'"); break; case Variant::String: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:string"; dataNode.text() = var.toString().c_str(); break; case Variant::Matrix: { if (openFile) { if (!hdf5.openFile(fileName() + ".h5", Hdf5DataFormat::ReadWriteAppend)) { appendError( "CmlFormat::writeFile: Cannot open file: " + fileName() + ".h5"); } openFile = false; } dataNode.set_name("hdf5data"); dataNode.append_attribute("dataType") = "xsd:double"; dataNode.append_attribute("ndims") = "2"; const MatrixX& matrix = var.toMatrixRef(); std::stringstream stream; stream << matrix.rows() << " " << matrix.cols(); dataNode.append_attribute("dims") = stream.str().c_str(); std::string h5Path = "molecule/dataMap/"s + name_; dataNode.text() = h5Path.c_str(); hdf5.writeDataset(h5Path, matrix); } break; default: appendError("CmlFormat::writeFile: Unrecognized type for member '" + name_ + "'."); break; } } hdf5.closeFile(); #endif document.save(out, " "); return true; } std::vector CmlFormat::fileExtensions() const { std::vector ext; ext.emplace_back("cml"); return ext; } std::vector CmlFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-cml"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/cmlformat.h000066400000000000000000000030601516317240700240370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_CMLFORMAT_H #define AVOGADRO_IO_CMLFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class CmlFormat cmlformat.h * @brief Implementation of the Chemical Markup Language format. * @author Marcus D. Hanwell */ class AVOGADROIO_EXPORT CmlFormat : public FileFormat { public: CmlFormat() = default; ~CmlFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new CmlFormat; } std::string identifier() const override { return "Avogadro: CML"; } std::string name() const override { return "Chemical Markup Language"; } std::string description() const override { return "TODO: Describe the format."; } std::string specificationUrl() const override { return "http://www.xml-cml.org/schema/schema3/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // CMLFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/cmsgpackformat.cpp000066400000000000000000000017031516317240700254110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cmsgpackformat.h" #include namespace Avogadro::Io { std::vector CMsgPackFormat::fileExtensions() const { std::vector ext; ext.emplace_back("cmpk"); return ext; } std::vector CMsgPackFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-cmpack"); return mime; } bool CMsgPackFormat::read(std::istream& in, Core::Molecule& molecule) { return CjsonFormat::deserialize(in, molecule, false); } bool CMsgPackFormat::write(std::ostream& out, const Core::Molecule& molecule) { return CjsonFormat::serialize(out, molecule, false); } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/cmsgpackformat.h000066400000000000000000000036331516317240700250620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_CMSGPACKFORMAT_H #define AVOGADRO_IO_CMSGPACKFORMAT_H #include "cjsonformat.h" #include "fileformat.h" namespace Avogadro { namespace Core { class GaussianSet; } namespace Io { /** * @class CMsgPackFormat cmsgpackformat.h * @brief Implementation of the Chemical MessagePack format. */ class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat { public: // Base class constructors are called automatically CMsgPackFormat() = default; ~CMsgPackFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new CMsgPackFormat; } std::string identifier() const override { return "Avogadro: CMsgPack"; } std::string name() const override { return "Chemical MessagePack"; } std::string description() const override { return "CMsgPack format is a lightweight intermediate format used to " "exchange " "information between Avogadro and other data parsing applications"; } std::string specificationUrl() const override { return "https://github.com/openchemistry/chemicaljson"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; // write MessagePack bool m_json = false; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_CMSGPACKFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/dcdformat.cpp000066400000000000000000000302261516317240700243550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dcdformat.h" #include "struct.h" #include #include #include #include #include #include #include #include #include using std::map; using std::string; using std::to_string; using std::vector; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Molecule; using Core::UnitCell; #ifndef _WIN32 #endif #define DCD_EOF (-1) constexpr int DCD_MAGIC = 84; constexpr int DCD_IS_CHARMM = 0x01; constexpr int DCD_HAS_4DIMS = 0x02; constexpr int DCD_HAS_EXTRA_BLOCK = 0x04; int swap_integer(int inp) { return (((inp << 24) & 0xff000000) | ((inp << 8) & 0x00ff0000) | ((inp >> 8) & 0x0000ff00) | ((inp >> 24) & 0x000000ff)); } char swap_endian(char endian) { if (endian == '>') return '<'; else return '>'; } bool DcdFormat::read(std::istream& inStream, Core::Molecule& mol) { /** Endian type, Buffer and Format char containers for unpacking and storing * data using struct library */ char endian = '>'; char buff[BUFSIZ]; char fmt[BUFSIZ]; /** Variables to store various components from the binary data unpacked using * the struct library */ char raw[84]; char* remarks; double DELTA; int magic; int charmm; int NAMNF; int NTITLE; int lenRemarks; int NATOMS; int blockSize; // Determining size of file inStream.seekg(0, inStream.end); int fileLen = inStream.tellg(); inStream.seekg(0, inStream.beg); // Reading magic number snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); if (magic != DCD_MAGIC) { magic = swap_integer(magic); endian = swap_endian(endian); if (magic != DCD_MAGIC) { appendError("File does not start with magic number 84."); return false; } } // CORD snprintf(fmt, sizeof(fmt), "%c%ds", endian, magic); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, raw); if (raw[0] != 'C' || raw[1] != 'O' || raw[2] != 'R' || raw[3] != 'D') { appendError("Keyword CORD not found."); return false; } // Determining whether the trajectory file is from CHARMM or not if (*(reinterpret_cast(raw + 80)) != 0) { charmm = DCD_IS_CHARMM; if (*(reinterpret_cast(raw + 44)) != 0) charmm |= DCD_HAS_EXTRA_BLOCK; if (*(reinterpret_cast(raw + 48)) == 1) charmm |= DCD_HAS_4DIMS; } else { charmm = 0; } // number of fixed atoms NAMNF = *(reinterpret_cast(raw + 36)); // DELTA (timestep) is stored as a double with X-PLOR but as a float with // CHARMM if (charmm & DCD_IS_CHARMM) { float ftmp; ftmp = *(reinterpret_cast(raw + 40)); DELTA = static_cast(ftmp); } else { (DELTA) = *(reinterpret_cast(raw + 40)); } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &blockSize); if (((blockSize - 4) % 80) == 0) { // Read NTITLE, the number of 80 character title strings snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &NTITLE); lenRemarks = NTITLE * 80; remarks = reinterpret_cast(malloc(lenRemarks)); snprintf(fmt, sizeof(fmt), "%c%ds", endian, lenRemarks); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, remarks); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int endSize; struct_unpack(buff, fmt, &endSize); } else { appendError("Block size must be 4 plus a multiple of 80."); return false; } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int fourInput; struct_unpack(buff, fmt, &fourInput); if (fourInput != 4) { // Error } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &NATOMS); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &fourInput); if (fourInput != 4) { appendError("Expected token 4. Read token " + to_string(fourInput)); return false; } if (NAMNF != 0) { int** FREEINDEXES = reinterpret_cast(calloc((NATOMS - NAMNF), sizeof(int))); if (*FREEINDEXES == nullptr) { appendError("MALLOC failed."); return false; } /* Read in index array size */ snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int arrSize; struct_unpack(buff, fmt, &arrSize); if (arrSize != (NATOMS - NAMNF) * 4) { appendError("DCD file contains bad format."); return false; } snprintf(fmt, sizeof(fmt), "%c%di", endian, (NATOMS - NAMNF)); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, *FREEINDEXES); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &arrSize); if (arrSize != (NATOMS - NAMNF) * 4) { appendError("DCD file contains bad format."); return false; } } // CHARMM trajectories have an extra block to be read, that contains // information about the unit cell if ((charmm & DCD_IS_CHARMM) && (charmm & DCD_HAS_EXTRA_BLOCK)) { snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int leadingNum; struct_unpack(buff, fmt, &leadingNum); if (leadingNum == 48) { double unitcell[6]; for (double& aa : unitcell) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &aa); } if (unitcell[1] >= -1.0 && unitcell[1] <= 1.0 && unitcell[3] >= -1.0 && unitcell[3] <= 1.0 && unitcell[4] >= -1.0 && unitcell[4] <= 1.0) { // CHARMM and certain NAMD files have the cosines instead of angles // This formulation improves rounding behavior for orthogonal cells // so that the angles end up at precisely 90 degrees, unlike acos() unitcell[4] = M_PI_2 - asin(unitcell[4]); /* cosBC */ unitcell[3] = M_PI_2 - asin(unitcell[3]); /* cosAC */ unitcell[1] = M_PI_2 - asin(unitcell[1]); /* cosAB */ } auto* cell = new UnitCell(unitcell[0], unitcell[2], unitcell[5], unitcell[4], unitcell[3], unitcell[1]); if (!cell->isRegular()) { appendError("cell matrix is singular"); delete cell; return false; } mol.setUnitCell(cell); } else { inStream.read(buff, leadingNum); } inStream.read(buff, sizeof(int)); } // Reading the atom coordinates int formatint[6]; Array cx, cy, cz; cx.reserve(NATOMS); cy.reserve(NATOMS); cz.reserve(NATOMS); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[0]); for (int i = 0; i < NATOMS; ++i) { // X coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cx[i]); /* code */ } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[1], &formatint[2]); for (int i = 0; i < NATOMS; ++i) { // Y coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cy[i]); } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[3], &formatint[4]); for (int i = 0; i < NATOMS; ++i) { // Z coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cz[i]); } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[5]); typedef map AtomTypeMap; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; for (int i = 0; i < NATOMS; ++i) { Vector3 pos(cx[i], cy[i], cz[i]); AtomTypeMap::const_iterator it; atomTypes.insert(std::make_pair(to_string(i), customElementCounter++)); it = atomTypes.find(to_string(i)); // if (customElementCounter > CustomElementMax) { // appendError("Custom element type limit exceeded."); // return false; // } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(pos); } mol.setTimeStep(0, 0); // Skipping fourth dimension block if ((charmm & DCD_IS_CHARMM) && (charmm & DCD_HAS_EXTRA_BLOCK)) { snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int sizeToRead; struct_unpack(buff, fmt, &sizeToRead); inStream.read(buff, sizeToRead); inStream.read(buff, sizeof(int)); } // Set the custom element map if needed if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto& atomType : atomTypes) { elementMap.insert( std::make_pair(atomType.second, "Atom " + atomType.first)); } mol.setCustomElementMap(elementMap); } mol.setCoordinate3d(mol.atomPositions3d(), 0); // Do we have an animation? int coordSet = 1; while ((static_cast(inStream.tellg()) != fileLen) && (static_cast(inStream.tellg()) != DCD_EOF)) { // Reading the atom coordinates Array positions; positions.reserve(NATOMS); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[0]); for (int i = 0; i < NATOMS; ++i) { // X coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cx[i]); } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[1], &formatint[2]); for (int i = 0; i < NATOMS; ++i) { // Y coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cy[i]); } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[3], &formatint[4]); for (int i = 0; i < NATOMS; ++i) { // Z coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cz[i]); } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[5]); for (int i = 0; i < NATOMS; ++i) { Vector3 pos(cx[i], cy[i], cz[i]); positions.push_back(pos); } mol.setTimeStep(DELTA * coordSet, coordSet); // Skipping fourth dimension block if ((charmm & DCD_IS_CHARMM) && (charmm & DCD_HAS_EXTRA_BLOCK)) { snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int sizeToRead; struct_unpack(buff, fmt, &sizeToRead); inStream.read(buff, sizeToRead); inStream.read(buff, sizeof(int)); } mol.setCoordinate3d(positions, coordSet++); } return true; } bool DcdFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector DcdFormat::fileExtensions() const { std::vector ext; ext.emplace_back("dcd"); return ext; } std::vector DcdFormat::mimeTypes() const { std::vector mime; mime.emplace_back("application/octet-stream"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/dcdformat.h000066400000000000000000000030561516317240700240230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_DCDFORMAT_H #define AVOGADRO_IO_DCDFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class DcdFormat dcdformat.h * @brief Implementation of the generic dcd trajectory format. * @author Adarsh B */ class AVOGADROIO_EXPORT DcdFormat : public FileFormat { public: DcdFormat() = default; ~DcdFormat() override = default; Operations supportedOperations() const override { return Read | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new DcdFormat; } std::string identifier() const override { return "Avogadro: DCD"; } std::string name() const override { return "DCD"; } std::string description() const override { return "CHARMM/NAMD/LAMMPS DCD Trajectory format."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_DCDFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/fileformat.cpp000066400000000000000000000106621516317240700245440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformat.h" #include #include #include #include namespace Avogadro::Io { using std::ifstream; using std::locale; using std::ofstream; FileFormat::FileFormat() : m_mode(None), m_in(nullptr), m_out(nullptr) {} FileFormat::~FileFormat() { delete m_in; delete m_out; } bool FileFormat::validateFileName(const std::string& fileName) { bool valid = !fileName.empty(); if (valid) { // check if the filename contains invalid characters static std::string forbiddenChars(",^@={}[]~!?:&*\"|#%<>$\"'();`'"); valid = fileName.find_first_of(forbiddenChars) == std::string::npos; // check if the filename contains ".." which we should not allow valid = valid && fileName.find("..") == std::string::npos; } // Finally check against Windows names // .. we do this on all platforms because CON.cif, for example // is problematic to send to a Windows user. if (valid) { static std::string forbiddenNames( "CON PRN AUX NUL COM1 COM2 COM3 COM4 COM5 " "COM6 COM7 COM8 COM9 LPT1 LPT2 LPT3 LPT4 " "LPT5 LPT6 LPT7 LPT8 LPT9"); // case insensitive search, since con.txt is also a problem // https://stackoverflow.com/a/19839371/131896 auto it = std::search(fileName.begin(), fileName.end(), forbiddenNames.begin(), forbiddenNames.end(), [](unsigned char ch1, unsigned char ch2) { return std::toupper(ch1) == std::toupper(ch2); }); valid = (it == fileName.end()); } return valid; } bool FileFormat::open(const std::string& fileName_, Operation mode_) { close(); m_fileName = fileName_; m_mode = mode_; if (!m_fileName.empty()) { // Imbue the standard C locale. locale cLocale("C"); if (m_mode & Read) { auto* file = new ifstream(m_fileName.c_str(), std::ifstream::binary); m_in = file; if (file->is_open()) { m_in->imbue(cLocale); return true; } else { appendError("Error opening file: " + fileName_); return false; } } else if (m_mode & Write) { auto* file = new ofstream(m_fileName.c_str(), std::ofstream::binary); m_out = file; if (file->is_open()) { m_out->imbue(cLocale); return true; } else { appendError("Error opening file: " + fileName_); return false; } } } return false; } void FileFormat::close() { if (m_in) { delete m_in; m_in = nullptr; } if (m_out) { delete m_out; m_out = nullptr; } m_mode = None; } bool FileFormat::readMolecule(Core::Molecule& molecule) { if (!m_in) return false; return read(*m_in, molecule); } bool FileFormat::writeMolecule(const Core::Molecule& molecule) { if (!m_out) return false; return write(*m_out, molecule); } bool FileFormat::readFile(const std::string& fileName_, Core::Molecule& molecule) { bool result = open(fileName_, Read); if (!result) return false; result = readMolecule(molecule); close(); return result; } bool FileFormat::writeFile(const std::string& fileName_, const Core::Molecule& molecule) { bool result = open(fileName_, Write); if (!result) return false; result = writeMolecule(molecule); close(); return result; } bool FileFormat::readString(const std::string& string, Core::Molecule& molecule) { std::istringstream stream(string, std::istringstream::in); // Imbue the standard C locale. locale cLocale("C"); stream.imbue(cLocale); return read(stream, molecule); } bool FileFormat::writeString(std::string& string, const Core::Molecule& molecule) { std::ostringstream stream(string, std::ostringstream::out); // Imbue the standard C locale. locale cLocale("C"); stream.imbue(cLocale); bool result = write(stream, molecule); string = stream.str(); return result; } void FileFormat::clear() { m_fileName.clear(); m_error.clear(); } void FileFormat::appendError(const std::string& errorString, bool newLine) { m_error += errorString; if (newLine) m_error += "\n"; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/fileformat.h000066400000000000000000000206441516317240700242120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_FILEFORMAT_H #define AVOGADRO_IO_FILEFORMAT_H #include "avogadroioexport.h" #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Io { /** * @class FileFormat fileformat.h * @brief General API for file formats. * @author Marcus D. Hanwell * * This serves as the common base class for chemical file formats. Classes * deriving from this one override the read and write virtual methods and * operate on the given streams. Several other signatures are available for * convenience. If there is an error reading or writing a file the string * returned by error() will give more details. */ class AVOGADROIO_EXPORT FileFormat { public: FileFormat(); virtual ~FileFormat(); /** * @brief Flags defining supported operations. */ enum Operation { None = 0x0, Read = 0x1, Write = 0x2, ReadWrite = Read | Write, MultiMolecule = 0x4, Stream = 0x10, String = 0x20, File = 0x40, All = ReadWrite | MultiMolecule | Stream | String | File }; using Operations = int; /** * @return Operation flags defining the capabilities of this format. */ virtual Operations supportedOperations() const = 0; /** * @brief Validates the given file name. * * Checks if the filename contains any invalid characters (e.g. ..) * Also checks if the filename contains a restricted name on Windows. * e.g., CON, PRN, AUX, NUL, COM1, COM2, COM3, COM4, COM5, etc. * * @param fileName The name of the file to be validated. * @return true if the file name is valid, false otherwise. */ static bool validateFileName(const std::string& fileName); /** * @brief Open the specified file in Read or Write mode. * @return True on success, false on failure. */ bool open(const std::string& fileName, Operation mode); /** * @brief The mode the format is currently operating in. * @return The mode the format is in. */ Operation mode() { return m_mode; } /** * @brief Check if the supplied mode(s) is being used. * @param isInMode The mode(s) to test against * @return True if the format is currently in the supplied mode(s). */ bool isMode(Operation isInMode) { return (m_mode & isInMode) != None; } /** * @brief Close any opened file handles. */ void close(); /** * @brief Read in a molecule, if there are no molecules to read molecule will * be empty. This can be used to read in one or more molecules from a given * file using repeated calls for each molecule. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ bool readMolecule(Core::Molecule& molecule); /** * @brief Write out a molecule. This can be used to write one or more * molecules to a given file using repeated calls for each molecule. * @param molecule The molecule the data will be written from. * @return True on success, false on failure. */ bool writeMolecule(const Core::Molecule& molecule); /** * @brief Read the given @p in stream and load it into @p molecule. * @param in The input file stream. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ [[nodiscard]] virtual bool read(std::istream& in, Core::Molecule& molecule) = 0; /** * @brief Write to the given @p out stream the contents of @p molecule. * @param out The output stream to write the data to. * @param molecule The contents of this molecule will be written to output. * @return True on success, false on failure. */ [[nodiscard]] virtual bool write(std::ostream& out, const Core::Molecule& molecule) = 0; /** * @brief Read the given @p fileName and load it into @p molecule. * @param fileName The full path to the file to be read in. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ virtual bool readFile(const std::string& fileName, Core::Molecule& molecule); /** * @brief Write to the given @p fileName the contents of @p molecule. * @param fileName The full path to the file to be written. * @param molecule The contents of this molecule will be written to the file. * @return True on success, false on failure. */ virtual bool writeFile(const std::string& fileName, const Core::Molecule& molecule); /** * @brief Read the given @p string and load it into @p molecule. * @param string The string containing the molecule file contents. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ bool readString(const std::string& string, Core::Molecule& molecule); /** * @brief Write to the given @p string the contents of @p molecule. * @param string The string to write the contents of the molecule into. * @param molecule The contents of this molecule will be written to the * string. * @return True on success, false on failure. */ bool writeString(std::string& string, const Core::Molecule& molecule); /** * @brief Get the error string, contains errors/warnings encountered. * @return String containing any errors or warnings encountered. */ std::string error() const { return m_error; } /** * @brief Get the file name (if known). * @return The full path to the file name as supplied, can be empty. */ std::string fileName() const { return m_fileName; } /** * @brief Set options for the file reader. * @param options The options, each reader chooses how to use/interpret them. */ void setOptions(const std::string& options) { m_options = options; } /** * @brief Get the file format options, can be used to change file IO. * @return The options set for the reader (defaults to empty). */ std::string options() const { return m_options; } /** * Clear the format and reset all state. */ virtual void clear(); /** * Create a new instance of the file format class. Ownership passes to the * caller. */ virtual FileFormat* newInstance() const = 0; /** * @brief A unique identifier, used to retrieve formats programmatically. * CML, XYZ, PDB etc. A runtime warning will be generated if the identifier * is not unique. */ virtual std::string identifier() const = 0; /** * @brief The name of the format, should be short such as Chemical Markup * Language, XYZ format, Protein Databank etc. */ virtual std::string name() const = 0; /** * A description of the format, along with any relevant help text for users. */ virtual std::string description() const = 0; /** * The URL of the format specification if available (relevant web page/wiki * otherwise). */ virtual std::string specificationUrl() const = 0; /** * @brief Get the file name extension(s) that the format supports reading. * @return A vector containing a list of extensions (in lower case). */ virtual std::vector fileExtensions() const = 0; /** * @brief Get the MIME type(s) that the format supports reading. * @return A vector containing a list of MIME type(s) (in lower case). */ virtual std::vector mimeTypes() const = 0; protected: /** * @brief Append an error to the error string for the format. * @param errorString The error to be added. * @param newLine Add a new line after the error string? */ void appendError(const std::string& errorString, bool newLine = true); private: std::string m_error; std::string m_fileName; std::string m_options; // Streams for reading/writing data, especially streaming data in/out. Operation m_mode; std::istream* m_in; std::ostream* m_out; }; inline FileFormat::Operation operator|(FileFormat::Operation a, FileFormat::Operation b) { return static_cast(static_cast(a) | static_cast(b)); } } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_FILEFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/fileformatmanager.cpp000066400000000000000000000263551516317240700261050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformatmanager.h" #include "fileformat.h" #include "cjsonformat.h" #include "cmlformat.h" #include "cmsgpackformat.h" #include "dcdformat.h" #include "gromacsformat.h" #include "lammpsformat.h" #include "mdlformat.h" #include "pdbformat.h" #include "sdfformat.h" #include "trrformat.h" #include "turbomoleformat.h" #include "vaspformat.h" #include "xyzformat.h" #ifdef AVO_USE_MMTF #include "mmtfformat.h" #endif #include #include using std::unique_ptr; namespace Avogadro::Io { FileFormatManager& FileFormatManager::instance() { static FileFormatManager instance; return instance; } bool FileFormatManager::readFile(Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension, const std::string& options) const { FileFormat* format(nullptr); if (fileExtension.empty()) { // We need to guess the file extension. size_t pos = fileName.find_last_of('.'); format = filteredFormatFromFormatMap(fileName.substr(pos + 1), FileFormat::Read | FileFormat::File, m_fileExtensions); } else { format = filteredFormatFromFormatMap( fileExtension, FileFormat::Read | FileFormat::File, m_fileExtensions); } if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->readFile(fileName, molecule); } bool FileFormatManager::writeFile(const Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension, const std::string& options) const { FileFormat* format(nullptr); if (fileExtension.empty()) { // We need to guess the file extension. size_t pos = fileName.find_last_of('.'); format = filteredFormatFromFormatMap(fileName.substr(pos + 1), FileFormat::Write | FileFormat::File, m_fileExtensions); } else { format = filteredFormatFromFormatMap( fileExtension, FileFormat::Write | FileFormat::File, m_fileExtensions); } if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->writeFile(fileName, molecule); } bool FileFormatManager::readString(Core::Molecule& molecule, const std::string& string, const std::string& fileExtension, const std::string& options) const { FileFormat* format(filteredFormatFromFormatMap( fileExtension, FileFormat::Read | FileFormat::String, m_fileExtensions)); if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->readString(string, molecule); } bool FileFormatManager::writeString(const Core::Molecule& molecule, std::string& string, const std::string& fileExtension, const std::string& options) const { FileFormat* format(filteredFormatFromFormatMap( fileExtension, FileFormat::Write | FileFormat::String, m_fileExtensions)); if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->writeString(string, molecule); } bool FileFormatManager::registerFormat(FileFormat* format) { return instance().addFormat(format); } bool FileFormatManager::unregisterFormat(const std::string& identifier) { return instance().removeFormat(identifier); } bool FileFormatManager::addFormat(FileFormat* format) { if (!format) { appendError("Supplied format was null."); return false; } if (m_identifiers.count(format->identifier()) > 0) { appendError("Format " + format->identifier() + " already loaded."); return false; } for (auto& m_format : m_formats) { if (m_format == format) { appendError("The format object was already loaded."); return false; } } // If we got here then the format is unique enough to be added. size_t index = m_formats.size(); m_formats.push_back(format); m_identifiers[format->identifier()].push_back(index); std::vector mimes = format->mimeTypes(); for (auto& mime : mimes) { m_mimeTypes[mime].push_back(index); } std::vector extensions = format->fileExtensions(); for (auto& extension : extensions) { m_fileExtensions[extension].push_back(index); } return true; } namespace { // Lookup each key from "keys" in "map", and remove "val" from the Map's // data value (which is a vector of ValueType) template void removeFromMap(Map& map, const VectorOfKeys& keys, const ValueType& val) { for (auto key = keys.begin(), keyEnd = keys.end(); key != keyEnd; ++key) { auto mapMatch = map.find(*key); if (mapMatch == map.end()) continue; typename Map::mapped_type& vec = mapMatch->second; if (vec.size() <= 1) { map.erase(*key); } else { auto newEnd = std::remove(vec.begin(), vec.end(), val); vec.resize(newEnd - vec.begin()); } } } } // namespace bool FileFormatManager::removeFormat(const std::string& identifier) { FormatIdVector ids = m_identifiers[identifier]; m_identifiers.erase(identifier); if (ids.empty()) return false; for (size_t id : ids) { FileFormat* fmt = m_formats[id]; if (fmt == nullptr) continue; removeFromMap(m_mimeTypes, fmt->mimeTypes(), id); removeFromMap(m_fileExtensions, fmt->fileExtensions(), id); m_formats[id] = nullptr; delete fmt; } return true; } FileFormat* FileFormatManager::newFormatFromIdentifier( const std::string& id, FileFormat::Operations filter) const { FileFormat* format(filteredFormatFromFormatMap(id, filter, m_identifiers)); return format ? format->newInstance() : nullptr; } FileFormat* FileFormatManager::newFormatFromMimeType( const std::string& mime, FileFormat::Operations filter) const { FileFormat* format(filteredFormatFromFormatMap(mime, filter, m_mimeTypes)); return format ? format->newInstance() : nullptr; } FileFormat* FileFormatManager::newFormatFromFileExtension( const std::string& extension, FileFormat::Operations filter) const { FileFormat* format( filteredFormatFromFormatMap(extension, filter, m_fileExtensions)); return format ? format->newInstance() : nullptr; } std::vector FileFormatManager::identifiers( FileFormat::Operations filter) const { return filteredKeysFromFormatMap(filter, m_identifiers); } std::vector FileFormatManager::mimeTypes( FileFormat::Operations filter) const { return filteredKeysFromFormatMap(filter, m_mimeTypes); } std::vector FileFormatManager::fileExtensions( FileFormat::Operations filter) const { return filteredKeysFromFormatMap(filter, m_fileExtensions); } std::vector FileFormatManager::fileFormats( FileFormat::Operations filter) const { std::vector result; for (auto m_format : m_formats) { if (filter == FileFormat::None || (filter & m_format->supportedOperations()) == filter) { result.push_back(m_format); } } return result; } std::vector FileFormatManager::fileFormatsFromMimeType( const std::string& mimeType, FileFormat::Operations filter) const { std::vector matches = filteredFormatsFromFormatMap(mimeType, filter, m_mimeTypes); return std::vector(matches.begin(), matches.end()); } std::vector FileFormatManager::fileFormatsFromFileExtension( const std::string& extension, FileFormat::Operations filter) const { std::vector matches = filteredFormatsFromFormatMap(extension, filter, m_fileExtensions); return std::vector(matches.begin(), matches.end()); } std::string FileFormatManager::error() const { return m_error; } FileFormatManager::FileFormatManager() { addFormat(new CmlFormat); addFormat(new CjsonFormat); addFormat(new CMsgPackFormat); addFormat(new DcdFormat); addFormat(new GromacsFormat); addFormat(new LammpsTrajectoryFormat); addFormat(new LammpsDataFormat); addFormat(new MdlFormat); addFormat(new OutcarFormat); addFormat(new PdbFormat); addFormat(new PoscarFormat); addFormat(new SdfFormat); addFormat(new TrrFormat); addFormat(new TurbomoleFormat); addFormat(new XyzFormat); #ifdef AVO_USE_MMTF addFormat(new MMTFFormat); #endif } FileFormatManager::~FileFormatManager() { // Delete the file formats that were loaded. for (auto& m_format : m_formats) { delete m_format; } m_formats.clear(); } std::vector FileFormatManager::filteredKeysFromFormatMap( FileFormat::Operations filter, const FileFormatManager::FormatIdMap& fmap) const { std::vector result; for (const auto& it : fmap) { for (auto formatIt = it.second.begin(); formatIt != it.second.end(); ++formatIt) { if (filter == FileFormat::None || (m_formats[*formatIt]->supportedOperations() & filter) == filter) { result.push_back(it.first); break; } } } return result; } std::vector FileFormatManager::filteredFormatsFromFormatMap( const std::string& key, FileFormat::Operations filter, const FileFormatManager::FormatIdMap& fmap) const { std::vector result; auto it = fmap.find(key); if (it != fmap.end()) result = filteredFormatsFromFormatVector(filter, it->second); return result; } FileFormat* FileFormatManager::filteredFormatFromFormatMap( const std::string& key, FileFormat::Operations filter, const FileFormatManager::FormatIdMap& fmap) const { auto it = fmap.find(key); if (it != fmap.end()) return filteredFormatFromFormatVector(filter, it->second); return nullptr; } std::vector FileFormatManager::filteredFormatsFromFormatVector( FileFormat::Operations filter, const FileFormatManager::FormatIdVector& v) const { std::vector result; for (unsigned long it : v) { if (filter == FileFormat::None || (m_formats[it]->supportedOperations() & filter) == filter) { result.push_back(m_formats[it]); } } return result; } FileFormat* FileFormatManager::filteredFormatFromFormatVector( FileFormat::Operations filter, const FileFormatManager::FormatIdVector& v) const { for (unsigned long it : v) { if (filter == FileFormat::None || (m_formats[it]->supportedOperations() & filter) == filter) { return m_formats[it]; } } return nullptr; } void FileFormatManager::appendError(const std::string& errorMessage) { m_error += errorMessage + "\n"; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/fileformatmanager.h000066400000000000000000000316651516317240700255520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_FILEFORMATMANAGER_H #define AVOGADRO_IO_FILEFORMATMANAGER_H #include "avogadroioexport.h" #include "fileformat.h" // For FileFormat::Operation enum. #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Io { /** * @struct CaseInsensitiveComparator fileformatmanager.h * * @brief Class to handle case-insensitive comparisons of file extensions. * Adapted from https://stackoverflow.com/a/3009806/131896 **/ struct CaseInsensitiveComparator { // case-independent (ci) compare_less binary function struct lowerCaseCompare { bool operator()(const unsigned char& c1, const unsigned char& c2) const { return tolower(c1) < tolower(c2); } }; bool operator()(const std::string& s1, const std::string& s2) const noexcept { return std::lexicographical_compare(s1.begin(), s1.end(), // source range s2.begin(), s2.end(), // dest range lowerCaseCompare()); // comparison } }; /** * @class FileFormatManager fileformatmanager.h * * @brief Class to manage registration, searching and creation of file formats. * @author Marcus D. Hanwell * * The file format manager is a singleton class that handles the runtime * registration, search, creation and eventual destruction of file formats. It * can be used to gain a listing of available formats, register new formats and * retrieve the correct format to facilitate file IO. * * All files IO can take place independent of this manager, but for automated * registration and look up this is the preferred API. It is possible to use * the convenience API without ever dealing directly with a format class. */ class AVOGADROIO_EXPORT FileFormatManager { public: /** * Get the singleton instance of the file format manager. This instance should * not be deleted. */ static FileFormatManager& instance(); /** * Load @p molecule with the @p fileName contents supplied, inferring the * @p fileExtension if it is empty. The @p options can be used to modify * the behavior of the file format. * @return True on success, false on failure. */ bool readFile(Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const; /** * Write @p molecule to the @p fileName supplied, inferring the * @p fileExtension if it is empty. The @p options can be used to modify * the behavior of the file format. * @return True on success, false on failure. */ bool writeFile(const Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const; /** * Load @p molecule with the contents of @p string, using the supplied * @p fileExtension to determine the format. The @p options can be used to * modify the behavior of the file format. * @return True on success, false on failure. */ bool readString(Core::Molecule& molecule, const std::string& string, const std::string& fileExtension, const std::string& options = std::string()) const; /** * Write @p molecule to the @p string, using the supplied @p fileExtension * to determine the format. The @p options can be used to modify the behavior * of the file format. * @return True on success, false on failure. */ bool writeString(const Core::Molecule& molecule, std::string& string, const std::string& fileExtension, const std::string& options = std::string()) const; /** * @brief Register a new file format with the format manager. * @param format An instance of the format to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ static bool registerFormat(FileFormat* format); /** * @brief Unregister a file format from the format manager. * @param identifier The identifier for the format to remove. * @return True on success, false on failure. */ static bool unregisterFormat(const std::string& identifier); /** * Add the supplied @p format to the manager, registering its ID, MIME type, * file extension and other relevant data for later lookup. The manager * assumes ownership of the supplied object. * @return True on success, false on failure. */ bool addFormat(FileFormat* format); /** * Remove the format with the identifier @a identifier from the manager. * @return True on success, false on failure. */ bool removeFormat(const std::string& identifier); /** * New instance of the format for the specified @p identifier. Ownership * is passed to the caller. * @param identifier The unique identifier of the format. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @return Instance of the format, nullptr if not found. Ownership passes to * the * caller. */ FileFormat* newFormatFromIdentifier( const std::string& identifier, FileFormat::Operations filter = FileFormat::None) const; /** * New instance of the format for the specified @p mimeType. Ownership * is passed to the caller. * @param mimeType The MIME type (in lower case). * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @return Instance of the format, nullptr if not found. Ownership passes to * the * caller. */ FileFormat* newFormatFromMimeType( const std::string& mimeType, FileFormat::Operations filter = FileFormat::None) const; /** * New instance of the format for the specified file @p extension. Ownership * is passed to the caller. * @param extension The file extension (in lower case). * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @return Instance of the format, nullptr if not found. Ownership passes to * the * caller. */ FileFormat* newFormatFromFileExtension( const std::string& extension, FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of all loaded identifiers, optionally matching the specified * filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector identifiers( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of all loaded MIME types, optionally matching the specified * filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector mimeTypes( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of the file extensions supported, optionally matching the * specified filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileExtensions( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of known FileFormat objects, optionally matching the * specified filter. * @warning The objects in the returned list are owned by the * FileFormatManager and cannot be modified. Use FileFormat::newInstance() * to create mutable copies. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileFormats( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of known FileFormat objects that handle the specified MIME type, * optionally matching a filter. * @warning The objects in the returned list are owned by the * FileFormatManager and cannot be modified. Use FileFormat::newInstance() * to create mutable copies. * @param mimeType MIME type. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileFormatsFromMimeType( const std::string& mimeType, FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of known FileFormat objects that handle the specified file * extension, optionally matching a filter. * @warning The objects in the returned list are owned by the * FileFormatManager and cannot be modified. Use FileFormat::newInstance() * to create mutable copies. * @param extension File extension. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileFormatsFromFileExtension( const std::string& extension, FileFormat::Operations filter = FileFormat::None) const; /** * Get any errors that have been logged when loading formats. */ std::string error() const; private: using FormatIdVector = std::vector; using FormatIdMap = std::map; FileFormatManager(); ~FileFormatManager(); FileFormatManager(const FileFormatManager&); // Not implemented. FileFormatManager& operator=(const FileFormatManager&); // Not implemented. /** * @brief Return keys from a map that have formats matching the supplied * operation filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatMap to operate on. */ std::vector filteredKeysFromFormatMap( FileFormat::Operations filter, const FormatIdMap& fmap) const; /** * @brief Return formats from a map that match the supplied key and operation * filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param key The map key. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatIdMap to operate on. */ std::vector filteredFormatsFromFormatMap( const std::string& key, FileFormat::Operations filter, const FormatIdMap& fmap) const; /** * @brief Return a format from a map that matches the supplied key and * operation filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param key The map key. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatIdMap to operate on. */ FileFormat* filteredFormatFromFormatMap(const std::string& key, FileFormat::Operations filter, const FormatIdMap& fmap) const; /** * @brief Return formats from a vector that match the supplied operation * filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fvec The FormatIdVector to operate on. */ std::vector filteredFormatsFromFormatVector( FileFormat::Operations filter, const FormatIdVector& fvec) const; /** * @brief Return the first format from a vector that matches the supplied * operation filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fvec The FormatIdVector to operate on. */ FileFormat* filteredFormatFromFormatVector(FileFormat::Operations filter, const FormatIdVector& fvec) const; /** * @brief Append warnings/errors to the error message string. * @param errorMessage The error message to append. */ void appendError(const std::string& errorMessage); std::vector m_formats; FormatIdMap m_identifiers; FormatIdMap m_mimeTypes; FormatIdMap m_fileExtensions; std::string m_error; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_FILEFORMATMANAGER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/gromacsformat.cpp000066400000000000000000000160401516317240700252540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gromacsformat.h" #include #include #include #include #include #include #include #include #include #include using namespace std::string_literals; namespace Avogadro::Io { using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::Molecule; using Core::Residue; using Core::split; using Core::trimmed; using Core::UnitCell; std::vector GromacsFormat::fileExtensions() const { return std::vector(1, "gro"s); } std::vector GromacsFormat::mimeTypes() const { return std::vector(1, "chemical/x-gro"s); } bool GromacsFormat::read(std::istream& in, Molecule& molecule) { // Allow ADL ofr string using std::string; string buffer; string value; Residue* r = nullptr; size_t currentResidueId = 0; // Title std::getline(in, buffer); if (!buffer.empty()) molecule.setData("name", trimmed(buffer)); // Atom count std::getline(in, buffer); buffer = trimmed(buffer); bool ok; auto numAtoms = lexicalCast(buffer, ok); if (buffer.empty() || !ok) { appendError("Number of atoms (line 2) invalid."); return false; } // read atom info: using AtomTypeMap = std::map; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; Vector3 pos; while (numAtoms-- > 0) { std::getline(in, buffer); // Figure out the distance between decimal points, implement support for // variable precision as specified: // "any number of decimal places, the format will then be n+5 positions with // n decimal places (n+1 for velocities) in stead of 8 with 3 (with 4 for // velocities)". size_t decimal1 = buffer.find(".", 20); size_t decimal2 = string::npos; int decimalSep = 0; if (decimal1 != string::npos) decimal2 = buffer.find(".", decimal1 + 1); if (decimal2 != string::npos) decimalSep = decimal2 - decimal1; if (decimalSep == 0) { appendError("Decimal separation of 0 found in atom positions: " + buffer); return false; } if (buffer.size() < static_cast(20 + 3 * decimalSep)) { appendError("Error reading atom specification -- line too short: " + buffer); return false; } // Format of buffer is: (all indices start at 1, variable dp throws this). // Offset: 0 format: %5i value: Residue number // Offset: 5 format: %-5s value: Residue name // Offset: 10 format: %5s value: Atom name // Offset: 15 format: %5i value: Atom number // Offset: 20 format: %8.3f value: x coordinate (nm) // Offset: 28 format: %8.3f value: y coordinate (nm) // Offset: 36 format: %8.3f value: z coordinate (nm) // Offset: 44 format: %8.4f value: x velocity (nm/ps, a.k.a. km/s) // Offset: 52 format: %8.4f value: y velocity (nm/ps, a.k.a. km/s) // Offset: 60 format: %8.4f value: z velocity (nm/ps, a.k.a. km/s) auto residueId = lexicalCast(buffer.substr(0, 5), ok); if (!ok) { appendError("Failed to parse residue sequence number: " + buffer.substr(0, 5)); return false; } if (residueId != currentResidueId) { currentResidueId = residueId; auto residueName = lexicalCast(buffer.substr(5, 5), ok); if (!ok) { appendError("Failed to parse residue name: " + buffer.substr(5, 5)); return false; } // gro files do not have a chain ID. So we use a makeshift dummy ID char dummyChainId = '0'; r = &molecule.addResidue(residueName, currentResidueId, dummyChainId); } // Atom name: value = trimmed(buffer.substr(10, 5)); Atom atom; int atomicNum = 0; if (r != nullptr) r->atomicNumber(value); if (atomicNum) { atom = molecule.addAtom(atomicNum); } else { unsigned char atomicNumFromSymbol = Elements::atomicNumberFromSymbol(value); if (atomicNumFromSymbol != 255) { atom = molecule.addAtom(atomicNumFromSymbol); } else { auto it = atomTypes.find(value); if (it == atomTypes.end()) { atomTypes.insert(std::make_pair(value, customElementCounter++)); it = atomTypes.find(value); if (customElementCounter > CustomElementMax) { appendError("Custom element type limit exceeded."); return false; } } atom = molecule.addAtom(it->second); } } // Coords for (int i = 0; i < 3; ++i) { value = trimmed(buffer.substr(20 + i * decimalSep, decimalSep)); pos[i] = lexicalCast(value, ok); if (!ok || value.empty()) { appendError( "Error reading atom specification -- invalid coordinate: '" + buffer + "' (bad coord: '" + value + "')"); return false; } } atom.setPosition3d(pos * static_cast(10.0)); // nm --> Angstrom if (r) { r->addResidueAtom(value, atom); } } // Set the custom element map if needed: if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto& atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, atomType.first)); } molecule.setCustomElementMap(elementMap); } // Box description: // v1(x) v2(y) v3(z) [v1(y) v1(z) v2(x) v2(z) v3(x) v3(y)] // The last six values may be omitted, set all non-specified values to 0. // v1(y) == v1(z) == v2(z) == 0 always. std::getline(in, buffer); std::vector tokens(split(buffer, ' ', true)); if (tokens.size() > 0) { if (tokens.size() != 3 && tokens.size() != 9) { appendError("Invalid box specification -- need either 3 or 9 values: '" + buffer + "'"); return false; } // Index arrays for parsing loop: const int rows[] = { 0, 1, 2, 1, 2, 0, 2, 0, 1 }; const int cols[] = { 0, 1, 2, 0, 0, 1, 1, 2, 2 }; Matrix3 cellMatrix = Matrix3::Zero(); for (size_t i = 0; i < tokens.size(); ++i) { cellMatrix(rows[i], cols[i]) = lexicalCast(tokens[i], ok); if (!ok || tokens[i].empty()) { appendError("Invalid box specification -- bad value: '" + tokens[i] + "'"); return false; } } auto* cell = new UnitCell; cell->setCellMatrix(cellMatrix * static_cast(10)); // nm --> Angstrom if (!cell->isRegular()) { appendError("box vectors are not linear independent"); delete cell; return false; } molecule.setUnitCell(cell); } return true; } bool GromacsFormat::write(std::ostream&, const Core::Molecule&) { return false; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/gromacsformat.h000066400000000000000000000032501516317240700247200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_GROMACSFORMAT_H #define AVOGADRO_IO_GROMACSFORMAT_H #include "avogadroioexport.h" #include "fileformat.h" #include namespace Avogadro::Io { /** * @class GromacsFormat gromacsformat.h * @brief Simple GROMACS .gro file reader. */ class AVOGADROIO_EXPORT GromacsFormat : public FileFormat { public: GromacsFormat() = default; ~GromacsFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new GromacsFormat; } std::string identifier() const override { return "Avogadro: GROMACS"; } std::string name() const override { return "GROMACS"; } std::string description() const override { return "Read GROMACS .gro files."; } std::string specificationUrl() const override { return "https://manual.gromacs.org/current/reference-manual/" "file-formats.html#gro"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; // Unimplemented [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_GROMACSFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/hdf5dataformat.cpp000066400000000000000000000307131516317240700253040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "hdf5dataformat.h" #include "hdf5.h" #include #include #include namespace Avogadro { namespace Io { // Exclude from Doxygen: /// @cond class Hdf5DataFormat::ResizeContainer { public: virtual ~ResizeContainer(){}; virtual bool resize(const std::vector& dims) = 0; virtual void* dataPointer() = 0; protected: int dimsToNumberOfElements(const std::vector& vec) { if (vec.empty()) return 0; int result = vec.front(); for (size_t i = 1; i < vec.size(); ++i) result *= vec[i]; return result; } }; // Internal storage. Used to keep HDF5 stuff out of the header. class Hdf5DataFormat::Private { public: Private() : fileId(H5I_INVALID_HID), threshold(1024) {} std::string filename; hid_t fileId; size_t threshold; }; namespace { // Build up a list of absolute paths to all datasets in the file. To be used // with H5Ovisit (see Hdf5DataFormat::datasets()). class ListDatasetsVisitor { public: std::vector datasets; static herr_t operation(hid_t /*o_id*/, const char* name, const H5O_info_t* object_info, void* op_data) { // If this object isn't a dataset, continue if (object_info->type != H5O_TYPE_DATASET) return 0; ListDatasetsVisitor* self = reinterpret_cast(op_data); self->datasets.push_back(std::string(name)); return 0; } }; class ResizeMatrixX : public Avogadro::Io::Hdf5DataFormat::ResizeContainer { MatrixX& m_data; public: ResizeMatrixX(MatrixX& data) : m_data(data) {} bool resize(const std::vector& dims) override { if (dims.size() != 2) return false; m_data.resize(dims[0], dims[1]); return true; } void* dataPointer() override { return m_data.data(); } }; class ResizeVector : public Avogadro::Io::Hdf5DataFormat::ResizeContainer { std::vector& m_data; public: ResizeVector(std::vector& data) : m_data(data) {} bool resize(const std::vector& dims) override { m_data.resize(dimsToNumberOfElements(dims)); return true; } void* dataPointer() override { return &m_data[0]; } }; class ResizeArray : public Avogadro::Io::Hdf5DataFormat::ResizeContainer { Avogadro::Core::Array& m_data; public: ResizeArray(Avogadro::Core::Array& data) : m_data(data) {} bool resize(const std::vector& dims) override { m_data.resize(dimsToNumberOfElements(dims)); return true; } void* dataPointer() override { return &m_data[0]; } }; } // end unnamed namespace // end doxygen exclude: /// @endcond Hdf5DataFormat::Hdf5DataFormat() : d(new Private()) {} Hdf5DataFormat::~Hdf5DataFormat() { if (isOpen()) closeFile(); delete d; } bool Hdf5DataFormat::isOpen() const { return d->fileId != H5I_INVALID_HID; } bool Hdf5DataFormat::openFile(const std::string& filename_, Hdf5DataFormat::OpenMode mode) { // File already open? if (isOpen()) return false; switch (mode) { case ReadOnly: // File must exist -- check first before attempting to open if (FILE* handle = fopen(filename_.c_str(), "r")) { // File exists, pass it off to H5Fopen fclose(handle); d->fileId = H5Fopen(filename_.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); } else { // File doesn't exist return false; } break; case ReadWriteTruncate: // Create new file: d->fileId = H5Fcreate(filename_.c_str(), H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT); break; case ReadWriteAppend: // Test if the file exists: if (FILE* handle = fopen(filename_.c_str(), "r")) { // Exists! Use open fclose(handle); d->fileId = H5Fopen(filename_.c_str(), H5F_ACC_RDWR, H5P_DEFAULT); } else { // File doesn't exist yet. Create it. d->fileId = H5Fcreate(filename_.c_str(), H5F_ACC_EXCL, H5P_DEFAULT, H5P_DEFAULT); } break; } // Error opening if file id is negative if (d->fileId < 0) { d->fileId = H5I_INVALID_HID; return false; } d->filename = filename_; return true; } std::string Hdf5DataFormat::filename() const { return d->filename; } bool Hdf5DataFormat::closeFile() { // Is there a file open? if (!isOpen()) return false; herr_t err = H5Fclose(d->fileId); if (err < 0) return false; d->fileId = H5I_INVALID_HID; d->filename.clear(); return true; } void Hdf5DataFormat::setThreshold(size_t bytes) { d->threshold = bytes; } size_t Hdf5DataFormat::threshold() const { return d->threshold; } bool Hdf5DataFormat::exceedsThreshold(size_t bytes) const { return bytes > d->threshold; } bool Hdf5DataFormat::exceedsThreshold(const MatrixX& data) const { return exceedsThreshold(data.rows() * data.cols() * sizeof(double)); } bool Hdf5DataFormat::exceedsThreshold(const std::vector& data) const { return exceedsThreshold(data.size() * sizeof(double)); } bool Hdf5DataFormat::exceedsThreshold(const Core::Array& data) const { return exceedsThreshold(data.size() * sizeof(double)); } bool Hdf5DataFormat::datasetExists(const std::string& path) const { if (!isOpen()) return false; // "/" cannot be a valid dataset, and this function must take an absolute path if (path.size() < 2) return false; // Verify that all paths leading to the target exist, one by one (grr...) size_t slashIndex = 0; do { slashIndex = path.find('/', slashIndex + 1); if (slashIndex != std::string::npos) { htri_t exists = H5Lexists(d->fileId, path.substr(0, slashIndex).c_str(), H5P_DEFAULT); if (exists != 1) return false; } } while (slashIndex != std::string::npos); // Verify that the deepest link exists if (H5Lexists(d->fileId, path.c_str(), H5P_DEFAULT) != 1) return false; // Verify that the deepest link resolves to an object if (H5Oexists_by_name(d->fileId, path.c_str(), H5P_DEFAULT) != 1) return false; // See if the object is a dataset H5O_info_t info; if (H5Oget_info_by_name(d->fileId, path.c_str(), &info, H5P_DEFAULT) < 0) return false; return info.type == H5O_TYPE_DATASET; } bool Hdf5DataFormat::removeDataset(const std::string& path) const { if (!isOpen()) return false; return H5Ldelete(d->fileId, path.c_str(), H5P_DEFAULT) >= 0; } std::vector Hdf5DataFormat::datasetDimensions( const std::string& path) const { std::vector result; if (!isOpen()) return result; if (!datasetExists(path)) return result; // Open dataset hid_t dataset_id = H5Dopen(d->fileId, path.c_str(), H5P_DEFAULT); if (dataset_id < 0) return result; // Lookup dimensions // Get dataspace for dataset hid_t dataspace_id = H5Dget_space(dataset_id); if (dataset_id < 0) { H5Dclose(dataset_id); return result; } // Get number of dimensions. int ndims = H5Sget_simple_extent_ndims(dataspace_id); if (ndims <= 0) { H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } // Get actual dimensions. hsize_t* hdims = new hsize_t[ndims]; int checkDims = H5Sget_simple_extent_dims(dataspace_id, hdims, nullptr); // Copy dimensions if successful. if (checkDims == ndims) { result.resize(ndims); std::copy(hdims, hdims + ndims, result.begin()); } // Cleanup. delete[] hdims; H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } bool Hdf5DataFormat::writeRawDataset(const std::string& path, const double data[], int ndims, size_t dims[]) const { if (!isOpen()) return false; // Remove old data set if it exists. if (datasetExists(path)) { if (!removeDataset(path)) return false; } // Get dimensions of data. hsize_t* hdims = new hsize_t[ndims]; for (int i = 0; i < ndims; ++i) { hdims[i] = static_cast(dims[i]); } // Create a dataspace description. hid_t dataspace_id = H5Screate_simple(ndims, hdims, nullptr); delete[] hdims; if (dataspace_id < 0) return false; // Create any intermediate groups if needed: hid_t lcpl_id = H5Pcreate(H5P_LINK_CREATE); if (lcpl_id == -1 || H5Pset_create_intermediate_group(lcpl_id, 1) < 0) { H5Sclose(dataspace_id); return false; } // Create the dataset. hid_t dataset_id = H5Dcreate(d->fileId, path.c_str(), H5T_NATIVE_DOUBLE, dataspace_id, lcpl_id, H5P_DEFAULT, H5P_DEFAULT); if (dataset_id < 0) { H5Sclose(dataspace_id); return false; } // Write the actual data. herr_t err = H5Dwrite(dataset_id, H5T_NATIVE_DOUBLE, H5S_ALL, dataspace_id, H5P_DEFAULT, data); // Cleanup. H5Dclose(dataset_id); H5Sclose(dataspace_id); if (err < 0) return false; return true; } bool Hdf5DataFormat::writeDataset(const std::string& path, const MatrixX& data) const { size_t dims[2] = { static_cast(data.rows()), static_cast(data.cols()) }; // Transpose data -- Eigen uses column-major ordering. return this->writeRawDataset(path, data.transpose().data(), 2, dims); } bool Hdf5DataFormat::writeDataset(const std::string& path, const std::vector& data, int ndims, size_t* dims) const { size_t size = data.size(); return this->writeRawDataset(path, &(data[0]), ndims, dims ? dims : &size); } bool Hdf5DataFormat::writeDataset(const std::string& path, const Core::Array& data, int ndims, size_t* dims) const { size_t size = data.size(); return this->writeRawDataset(path, &(data[0]), ndims, dims ? dims : &size); } std::vector Hdf5DataFormat::readRawDataset( const std::string& path, ResizeContainer& container) const { std::vector result; if (!isOpen()) return result; if (!datasetExists(path)) return result; // Open dataset hid_t dataset_id = H5Dopen(d->fileId, path.c_str(), H5P_DEFAULT); if (dataset_id < 0) return result; // Lookup dimensions // Get dataspace for dataset hid_t dataspace_id = H5Dget_space(dataset_id); if (dataset_id < 0) { H5Dclose(dataset_id); return result; } // Get number of dimensions. int ndims = H5Sget_simple_extent_ndims(dataspace_id); if (ndims <= 0) { H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } // Get actual dimensions. hsize_t* hdims = new hsize_t[ndims]; if (H5Sget_simple_extent_dims(dataspace_id, hdims, nullptr) != ndims) { delete[] hdims; H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } result.reserve(ndims); for (int i = 0; i < ndims; ++i) { result.push_back(static_cast(hdims[i])); } delete[] hdims; // Allocate and read into data. if (!container.resize(result)) { result.clear(); H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } if (H5Dread(dataset_id, H5T_NATIVE_DOUBLE, H5S_ALL, dataspace_id, H5P_DEFAULT, container.dataPointer()) < 0) { result.clear(); H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } // Cleanup H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } bool Hdf5DataFormat::readDataset(const std::string& path, MatrixX& data) const { ResizeMatrixX container(data); return !readRawDataset(path, container).empty(); } std::vector Hdf5DataFormat::readDataset(const std::string& path, std::vector& data) const { ResizeVector container(data); return readRawDataset(path, container); } std::vector Hdf5DataFormat::readDataset(const std::string& path, Core::Array& data) const { ResizeArray container(data); return readRawDataset(path, container); } std::vector Hdf5DataFormat::datasets() const { if (!isOpen()) return std::vector(); ListDatasetsVisitor visitor; herr_t code = H5Ovisit(d->fileId, H5_INDEX_NAME, H5_ITER_INC, &visitor.operation, &visitor); if (code < 0) return std::vector(); return visitor.datasets; } } // namespace Io } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/io/hdf5dataformat.h000066400000000000000000000330501516317240700247460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_HDF5DATAFORMAT_H #define AVOGADRO_HDF5DATAFORMAT_H #include "avogadroioexport.h" #include // can't forward declare eigen types #include #include #include namespace Avogadro { namespace Core { template class Array; } namespace Io { /** * @class Hdf5DataFormat hdf5dataformat.h * @brief The Hdf5DataFormat class provides access to data stored in HDF5 files. * @author Allison Vacanti * * This class is intended to supplement an existing format reader/writer by * providing the option to write large data to an HDF5 file store. The purpose * is to keep text format files at a manageable size. * * To use this class, open or create an HDF5 file with the openFile method, * using the appropriate OpenMode for the intended operation. Data can be * written to the file using the writeDataset methods and retrieved using the * readDataset methods. When finished, call closeFile to release the file * resources from the HDF5 library. * * A complete set of datasets available in an open file can be retrieved with * the datasets() method, and the existence of a particular dataset can be * tested with datasetExists(). removeDataset() can be used to unlink an * existing dataset from the file, though this will not free any space on disk. * The space occupied by an unlinked dataset may be reclaimed by new write * operations, but only if they occur before the file is closed. * * A convenient thresholding system is implemented to help the accompanying text * format writer determine which data is "large" enough to be stored in HDF5. A * size threshold (in bytes) may be set with the setThreshold() function (the * default is 1KB). A data object may be passed to the exceedsThreshold method * to see if the size of the data in the container exceeds the currently set * threshold. If so, it should be written into the HDF5 file by writeDataset. * If not, it should be serialized into the text file in a suitable format. The * thresholding operations are optional; the threshold size does not affect the * behavior of the read/write methods and are only for user convenience. */ class AVOGADROIO_EXPORT Hdf5DataFormat { public: Hdf5DataFormat(); /** Destructor. Closes any open file before freeing memory. */ ~Hdf5DataFormat(); /** Open modes for use with openFile(). */ enum OpenMode { /** Open an existing file in read-only mode. The file must exist. */ ReadOnly = 0, /** * Create a file in read/write mode, removing any existing file with the * same name. */ ReadWriteTruncate, /** * Open an file in read/write mode. If the file exist, its contents will be * preserved. If it does not, a new file will be created. */ ReadWriteAppend }; /** @return true if a file is open. */ bool isOpen() const; /** * @brief openFile Open a file for use by this reader/writer. * @param filename_ Name of the file to open. * @param mode OpenMode for the file. Default is ReadWriteAppend. * @note Only a single file may be opened at a time. Attempting to open * multiple files without calling closeFile() will fail. * @return True if the file is successfully opened/create by the HDF5 * subsystem, false otherwise. */ bool openFile(const std::string& filename_, OpenMode mode = ReadWriteAppend); /** * @return The name of the open file, or an empty string if no file is open. */ std::string filename() const; /** * @brief closeFile Close the file and reset the reader/writer. Another file * may be opened after calling this function. * @return true if the file is successfully released by the HDF5 subsystem. */ bool closeFile(); /** * @brief setThreshold Set the threshold size in bytes that will be used in * the exceedsThreshold functions. The threshold can be used to determine * which * data is considered "large enough" to be stored in HDF5, rather than an * accompanying format. * @param bytes The size in bytes for the threshold. Default: 1KB. */ void setThreshold(size_t bytes); /** @return The current threshold size in bytes. Default: 1KB. */ size_t threshold() const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the number of bytes tested * is larger than the threshold and the data should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param bytes The size of the dataset in bytes * @return true if the size exceeds the threshold set by setThreshold. */ bool exceedsThreshold(size_t bytes) const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the size of the data in the * object is larger than the threshold and should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param data Data object to test. * @return true if the size of the serializable data in @a data exceeds the * threshold set by setThreshold. */ bool exceedsThreshold(const MatrixX& data) const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the size of the data in the * object is larger than the threshold and should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param data Data object to test. * @return true if the size of the serializable data in @a data exceeds the * threshold set by setThreshold. */ bool exceedsThreshold(const std::vector& data) const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the size of the data in the * object is larger than the threshold and should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param data Data object to test. * @return true if the size of the serializable data in @a data exceeds the * threshold set by setThreshold. */ bool exceedsThreshold(const Core::Array& data) const; /** * @brief datasetExists Test if the currently open file contains a dataset at * the HDF5 absolute path @a path. * @param path An absolute path into the HDF5 data. * @return true if the object at @a path both exists and is a dataset, false * otherwise. */ bool datasetExists(const std::string& path) const; /** * @brief removeDataset Remove a dataset from the currently opened file. * @param path An absolute path into the HDF5 data. * @return true if the dataset exists and has been successfully removed. * \warning Removing datasets can be expensive in terms of filesize, as * deleted space cannot be reclaimed by HDF5 once the file is closed, and the * file will not decrease in size as datasets are removed. For details, see * http://www.hdfgroup.org/HDF5/doc/H5.user/Performance.html#Freespace. */ bool removeDataset(const std::string& path) const; /** * @brief datasetDimensions Find the dimensions of a dataset. * @param path An absolute path into the HDF5 data. * @return A vector containing the dimensionality of the data, major dimension * first. If an error is encountered, an empty vector is returned. */ std::vector datasetDimensions(const std::string& path) const; /** * @brief writeDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @return true if the data is successfully written, false otherwise. */ bool writeDataset(const std::string& path, const MatrixX& data) const; /** * @brief writeDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @param ndims The number of dimensions in the data. Default: 1. * @param dims The dimensionality of the data, major dimension first. Default: * data.size(). * @note Since std::vector is a flat container, the dimensionality data is * only used to set up the dataset metadata in the HDF5 container. Omitting * the dimensionality parameters will write a flat array. * @return true if the data is successfully written, false otherwise. */ bool writeDataset(const std::string& path, const std::vector& data, int ndims = 1, size_t* dims = nullptr) const; /** * @brief writeDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @param ndims The number of dimensions in the data. Default: 1. * @param dims The dimensionality of the data, major dimension first. Default: * data.size(). * @note Since this is a flat container, the dimensionality data is * only used to set up the dataset metadata in the HDF5 container. Omitting * the dimensionality parameters will write a flat array. * @return true if the data is successfully written, false otherwise. */ bool writeDataset(const std::string& path, const Core::Array& data, int ndims = 1, size_t* dims = nullptr) const; /** * @brief readDataset Populate the data container @data with data at from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param data The data container to into which the HDF5 data shall be * deserialized. @a data will be resized to fit the data. * @return true if the data is successfully read, false otherwise. If the * read fails, the @a data object may be left in an unpredictable state. */ bool readDataset(const std::string& path, MatrixX& data) const; /** * @brief readDataset Populate the data container @data with data at from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param data The data container to into which the HDF5 data shall be * deserialized. @a data will be resized to fit the data. * @return A vector containing the dimensionality of the dataset, major * dimension first. If an error occurs, an empty vector is returned and *data * will be set to nullptr. */ std::vector readDataset(const std::string& path, std::vector& data) const; /** * @brief readDataset Populate the data container @data with data at from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param data The data container to into which the HDF5 data shall be * deserialized. @a data will be resized to fit the data. * @return A vector containing the dimensionality of the dataset, major * dimension first. If an error occurs, an empty vector is returned and *data * will be set to nullptr. */ std::vector readDataset(const std::string& path, Core::Array& data) const; /** * @brief datasets Traverse the currently opened file and return a list of all * dataset objects in the file. * @return A list of datasets in the current file. * \warning The list is not cached internal and is recalculated on each call. * This may be expensive on large HDF5 files, so external caching is * recommended if this data is frequently needed. */ std::vector datasets() const; /** Used to abstract details of container resizing. */ class ResizeContainer; private: /** * @brief writeRawDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @param ndims The number of dimensions in the data. * @param dims The data dimensions, major dimension first. * @note Since a double[] is a flat container, the dimensionality data is * only used to set up the dataset metadata in the HDF5 container. The result * of multiplying all values in @a dims must equal the length of the @a data. * @return true if the data is successfully written, false otherwise. */ bool writeRawDataset(const std::string& path, const double data[], int ndims, size_t dims[]) const; /** * @brief readRawDataset Populate the data container @data with data from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param container A subclass of ResizeContainer with the container to read * data into. * @return A vector containing the dimensionality of the dataset, major * dimension first. If an error occurs, an empty vector is returned. */ std::vector readRawDataset(const std::string& path, ResizeContainer& container) const; class Private; /** Internal storage, used to encapsulate HDF5 data. */ Private* const d; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_HDF5DATAFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/lammpsformat.cpp000066400000000000000000000541471516317240700251240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lammpsformat.h" #include #include #include #include #include #include #include #include #include #include #include #include using std::getline; using std::map; using std::string; using std::to_string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Bond; using Core::CrystalTools; using Core::Elements; using Core::lexicalCast; using Core::Molecule; using Core::SpaceGroups; using Core::split; using Core::trimmed; using Core::UnitCell; bool LammpsTrajectoryFormat::read(std::istream& inStream, Core::Molecule& mol) { size_t numAtoms = 0, timestep = 0, x_idx = SIZE_MAX, y_idx = SIZE_MAX, z_idx = SIZE_MAX, type_idx = SIZE_MAX, id_idx = SIZE_MAX; double x_min = 0, x_max = 0, y_min = 0, y_max = 0, z_min = 0, z_max = 0, tilt_xy = 0, tilt_xz = 0, tilt_yz = 0, scale_x = 0., scale_y = 0., scale_z = 0.; // This can likely be removed as it is clearly not used anywhere, suppress for // now. AVO_UNUSED(id_idx); string buffer; getline(inStream, buffer); // Finish the first line buffer = trimmed(buffer); if (buffer != "ITEM: TIMESTEP") { appendError("No timestep item found."); return false; } getline(inStream, buffer); if (!buffer.empty()) { timestep = lexicalCast(buffer).value_or(0); mol.setTimeStep(timestep, 0); } getline(inStream, buffer); buffer = trimmed(buffer); if (buffer != "ITEM: NUMBER OF ATOMS") { appendError("No number of atoms item found."); return false; } getline(inStream, buffer); if (!buffer.empty()) { if (auto n = lexicalCast(buffer)) { numAtoms = *n; } else { appendError("Error to read number of atoms"); return false; } } // If unit cell is triclinic, tilt factors are needed to define the supercell getline(inStream, buffer); if (buffer.find("ITEM: BOX BOUNDS xy xz yz") == 0) { // Read x_min, x_max, tiltfactor_xy getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)).value_or(0.0); x_max = lexicalCast(box_bounds_x.at(1)).value_or(0.0); tilt_xy = lexicalCast(box_bounds_x.at(2)).value_or(0.0); // Read y_min, y_max, tiltfactor_xz getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)).value_or(0.0); y_max = lexicalCast(box_bounds_y.at(1)).value_or(0.0); tilt_xz = lexicalCast(box_bounds_y.at(2)).value_or(0.0); getline(inStream, buffer); // Read z_min, z_max, tiltfactor_yz std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)).value_or(0.0); z_max = lexicalCast(box_bounds_z.at(1)).value_or(0.0); tilt_yz = lexicalCast(box_bounds_z.at(2)).value_or(0.0); x_min -= std::min({ tilt_xy, tilt_xz, tilt_xy + tilt_xz, 0.0 }); x_max -= std::max({ tilt_xy, tilt_xz, tilt_xy + tilt_xz, 0.0 }); y_min -= std::min(tilt_yz, 0.0); y_max -= std::max(tilt_yz, 0.0); } // Else if unit cell is orthogonal, tilt factors are zero else if (buffer.find("ITEM: BOX BOUNDS") == 0) { // Read x_min, x_max getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)).value_or(0.0); x_max = lexicalCast(box_bounds_x.at(1)).value_or(0.0); // Read y_min, y_max getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)).value_or(0.0); y_max = lexicalCast(box_bounds_y.at(1)).value_or(0.0); // Read z_min, z_max getline(inStream, buffer); std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)).value_or(0.0); z_max = lexicalCast(box_bounds_z.at(1)).value_or(0.0); } typedef map AtomTypeMap; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; // x,y,z stand for the coordinate axes // s stands for scaled coordinates // u stands for unwrapped coordinates // scale_x = 0. if coordinates are cartesian and 1 if fractional (scaled) getline(inStream, buffer); std::vector labels(split(buffer, ' ')); for (size_t i = 0; i < labels.size(); i++) { if (labels[i] == "x" || labels[i] == "xu") { x_idx = i; scale_x = 0.; } else if (labels[i] == "xs" || labels[i] == "xsu") { x_idx = i; scale_x = 1.; } else if (labels[i] == "y" || labels[i] == "yu") { y_idx = i; scale_y = 0.; } else if (labels[i] == "ys" || labels[i] == "ysu") { y_idx = i; scale_y = 1.; } else if (labels[i] == "z" || labels[i] == "zu") { z_idx = i; scale_z = 0.; } else if (labels[i] == "zs" || labels[i] == "zsu") { z_idx = i; scale_z = 1.; } else if (labels[i] == "type") { type_idx = i; } else if (labels[i] == "id") { id_idx = i; } } if (x_idx == SIZE_MAX || y_idx == SIZE_MAX || z_idx == SIZE_MAX || type_idx == SIZE_MAX) { appendError("Failed to parse attributes: " + buffer); return false; } // Parse atoms for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); std::vector tokens(split(buffer, ' ')); if (tokens.size() < labels.size() - 2) { appendError("Not enough tokens in this line: " + buffer); return false; } unsigned char atomicNum = lexicalCast(tokens[type_idx - 2]).value_or(0); // If parsed coordinates are fractional, the corresponding unscaling is // done. Else the positions are assigned as parsed. Vector3 pos( (1 - scale_x) * lexicalCast(tokens[x_idx - 2]).value_or(0.0) + scale_x * (x_min + (x_max - x_min) * lexicalCast(tokens[x_idx - 2]).value_or(0.0)), (1 - scale_y) * lexicalCast(tokens[y_idx - 2]).value_or(0.0) + scale_y * (y_min + (y_max - y_min) * lexicalCast(tokens[y_idx - 2]).value_or(0.0)), (1 - scale_z) * lexicalCast(tokens[z_idx - 2]).value_or(0.0) + scale_z * (z_min + (z_max - z_min) * lexicalCast(tokens[z_idx - 2]).value_or(0.0))); auto it = atomTypes.find(to_string(atomicNum)); if (it == atomTypes.end()) { atomTypes.insert( std::make_pair(to_string(atomicNum), customElementCounter++)); it = atomTypes.find(to_string(atomicNum)); if (customElementCounter > CustomElementMax) { appendError("Custom element type limit exceeded."); return false; } } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(pos); } // Set the custom element map if needed: if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto& atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, atomType.first)); } mol.setCustomElementMap(elementMap); } // Check that all atoms were handled. if (mol.atomCount() != numAtoms) { std::ostringstream errorStream; errorStream << "Error parsing atom at index " << mol.atomCount() << " (line " << 10 + mol.atomCount() << ").\n" << buffer; appendError(errorStream.str()); return false; } mol.setCoordinate3d(mol.atomPositions3d(), 0); auto* uc = new UnitCell(Vector3(x_max - x_min, 0, 0), Vector3(tilt_xy, y_max - y_min, 0), Vector3(tilt_xz, tilt_yz, z_max - z_min)); if (!uc->isRegular()) { appendError( "'ITEM: BOX BOUNDS' does not give linear-independent lattive vectors"); delete uc; return false; } mol.setUnitCell(uc); // Do we have an animation? size_t numAtoms2; int coordSet = 1; while (getline(inStream, buffer) && trimmed(buffer) == "ITEM: TIMESTEP") { x_idx = SIZE_MAX; y_idx = SIZE_MAX; z_idx = SIZE_MAX; type_idx = SIZE_MAX; id_idx = SIZE_MAX; x_min = 0; x_max = 0; y_min = 0; y_max = 0; z_min = 0; z_max = 0; tilt_xy = 0; tilt_xz = 0; tilt_yz = 0; scale_x = 0.; scale_y = 0.; scale_z = 0.; getline(inStream, buffer); if (!buffer.empty()) { timestep = lexicalCast(buffer).value_or(0); mol.setTimeStep(timestep, coordSet); } getline(inStream, buffer); buffer = trimmed(buffer); if (buffer != "ITEM: NUMBER OF ATOMS") { appendError("No number of atoms item found."); return false; } getline(inStream, buffer); if (!buffer.empty()) numAtoms2 = lexicalCast(buffer).value_or(0); if (numAtoms2 != numAtoms) { appendError("Number of atoms isn't constant in the trajectory."); } // If unit cell is triclinic, tilt factors are needed to define the // supercell getline(inStream, buffer); if (buffer.find("ITEM: BOX BOUNDS xy xz yz") == 0) { // Read x_min, x_max, tiltfactor_xy getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)).value_or(0.0); x_max = lexicalCast(box_bounds_x.at(1)).value_or(0.0); tilt_xy = lexicalCast(box_bounds_x.at(2)).value_or(0.0); // Read y_min, y_max, tiltfactor_xz getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)).value_or(0.0); y_max = lexicalCast(box_bounds_y.at(1)).value_or(0.0); tilt_xz = lexicalCast(box_bounds_y.at(2)).value_or(0.0); getline(inStream, buffer); // Read z_min, z_max, tiltfactor_yz std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)).value_or(0.0); z_max = lexicalCast(box_bounds_z.at(1)).value_or(0.0); tilt_yz = lexicalCast(box_bounds_z.at(2)).value_or(0.0); x_min -= std::min({ tilt_xy, tilt_xz, tilt_xy + tilt_xz, 0.0 }); x_max -= std::max({ tilt_xy, tilt_xz, tilt_xy + tilt_xz, 0.0 }); y_min -= std::min(tilt_yz, 0.0); y_max -= std::max(tilt_yz, 0.0); } // Else if unit cell is orthogonal, tilt factors are zero else if (buffer.find("ITEM: BOX BOUNDS") == 0) { // Read x_min, x_max getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)).value_or(0.0); x_max = lexicalCast(box_bounds_x.at(1)).value_or(0.0); // Read y_min, y_max getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)).value_or(0.0); y_max = lexicalCast(box_bounds_y.at(1)).value_or(0.0); // Read z_min, z_max getline(inStream, buffer); std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)).value_or(0.0); z_max = lexicalCast(box_bounds_z.at(1)).value_or(0.0); } // x,y,z stand for the coordinate axes // s stands for scaled coordinates // u stands for unwrapped coordinates // scale_x = 0. if coordinates are cartesian and 1 if fractional (scaled) getline(inStream, buffer); labels = std::vector(split(buffer, ' ')); for (size_t i = 0; i < labels.size(); ++i) { if (labels[i] == "x" || labels[i] == "xu") { x_idx = i; scale_x = 0.; } else if (labels[i] == "xs" || labels[i] == "xsu") { x_idx = i; scale_x = 1.; } else if (labels[i] == "y" || labels[i] == "yu") { y_idx = i; scale_y = 0.; } else if (labels[i] == "ys" || labels[i] == "ysu") { y_idx = i; scale_y = 1.; } else if (labels[i] == "z" || labels[i] == "zu") { z_idx = i; scale_z = 0.; } else if (labels[i] == "zs" || labels[i] == "zsu") { z_idx = i; scale_z = 1.; } else if (labels[i] == "type") { type_idx = i; } else if (labels[i] == "id") { id_idx = i; } } if (x_idx == SIZE_MAX || y_idx == SIZE_MAX || z_idx == SIZE_MAX || type_idx == SIZE_MAX) { appendError("Failed to parse attributes: " + buffer); return false; } Array positions; positions.reserve(numAtoms); for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); std::vector tokens(split(buffer, ' ')); if (tokens.size() < 5) { appendError("Not enough tokens in this line: " + buffer); return false; } // If parsed coordinates are fractional, the corresponding unscaling is // done. Else the positions are assigned as parsed. Vector3 pos( (1 - scale_x) * lexicalCast(tokens[x_idx - 2]).value_or(0.0) + scale_x * (x_min + (x_max - x_min) * lexicalCast(tokens[x_idx - 2]).value_or(0.0)), (1 - scale_y) * lexicalCast(tokens[y_idx - 2]).value_or(0.0) + scale_y * (y_min + (y_max - y_min) * lexicalCast(tokens[y_idx - 2]).value_or(0.0)), (1 - scale_z) * lexicalCast(tokens[z_idx - 2]).value_or(0.0) + scale_z * (z_min + (z_max - z_min) * lexicalCast(tokens[z_idx - 2]).value_or(0.0))); positions.push_back(pos); } mol.setCoordinate3d(positions, coordSet++); auto* uc = new UnitCell(Vector3(x_max - x_min, 0, 0), Vector3(tilt_xy, y_max - y_min, 0), Vector3(tilt_xz, tilt_yz, z_max - z_min)); if (!uc->isRegular()) { appendError( "'ITEM: BOX BOUNDS' does not give linear-independent lattive vectors"); return false; } mol.setUnitCell(uc); } return true; } bool LammpsTrajectoryFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector LammpsTrajectoryFormat::fileExtensions() const { std::vector ext; ext.emplace_back("dump"); ext.emplace_back("lammpstrj"); return ext; } std::vector LammpsTrajectoryFormat::mimeTypes() const { std::vector mime; mime.emplace_back("text/lammps"); return mime; } bool LammpsDataFormat::read(std::istream&, Core::Molecule&) { return false; } bool LammpsDataFormat::write(std::ostream& outStream, const Core::Molecule& mol) { Core::Molecule mol2(mol); // enforce right-handed cell // https://docs.lammps.org/read_data.html#header-specification-of-the-simulation-box-size-and-shape CrystalTools::rotateToStandardOrientation(mol2, CrystalTools::TransformAtoms | CrystalTools::RightHanded); // Title if (mol2.data("name").toString().length()) outStream << mol2.data("name").toString() << std::endl; else outStream << "LAMMPS data file generated by Avogadro" << std::endl; std::ostringstream massStream, atomStream, bondStream; double xmin, xmax, ymin, ymax, zmin, zmax; xmin = xmax = ymin = ymax = zmin = zmax = 0.0; // Filter out translational duplicates if there's a unit cell Array uniqueIndices = SpaceGroups::translationalUniqueAtoms(mol2); bool useFiltering = !uniqueIndices.empty(); if (!useFiltering) { // No unit cell or no filtering needed - use all atoms for (Index i = 0; i < mol2.atomCount(); ++i) uniqueIndices.push_back(i); } // Build mapping from old indices to new indices (for bonds) std::map indexMap; for (Index newIdx = 0; newIdx < uniqueIndices.size(); ++newIdx) { indexMap[uniqueIndices[newIdx]] = newIdx; } size_t numAtoms = uniqueIndices.size(); outStream << to_string(numAtoms) << " atoms\n"; // Count bonds where both atoms are in the unique set size_t numBonds = 0; for (Index i = 0; i < mol2.bondCount(); ++i) { Bond b = mol2.bond(i); if (indexMap.count(b.atom1().index()) && indexMap.count(b.atom2().index())) ++numBonds; } outStream << to_string(numBonds) << " bonds\n"; // A map of atomic symbols to their quantity. size_t idx = 1; std::map composition; for (Index atomIdx : uniqueIndices) { unsigned char atomicNumber = mol2.atomicNumber(atomIdx); if (composition.find(atomicNumber) == composition.end()) { composition[atomicNumber] = idx++; } } outStream << composition.size() << " atom types\n"; // Masses massStream << "Masses\n\n"; auto iter = composition.begin(); while (iter != composition.end()) { massStream << iter->second << " " << Elements::mass(iter->first) << "\n"; ++iter; } massStream << std::endl << std::endl << std::endl; if (numAtoms) { // Atomic coordinates atomStream << "Atoms\n\n"; Index outputIdx = 0; for (Index atomIdx : uniqueIndices) { Atom atom = mol2.atom(atomIdx); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } Vector3 coords = atom.position3d(); if (outputIdx == 0) { xmin = coords[0]; xmax = coords[0]; ymin = coords[1]; ymax = coords[1]; zmin = coords[2]; zmax = coords[2]; } else { xmin = std::min(coords[0], xmin); xmax = std::max(coords[0], xmax); ymin = std::min(coords[1], ymin); ymax = std::max(coords[1], ymax); zmin = std::min(coords[2], zmin); zmax = std::max(coords[2], zmax); } const unsigned int lineSize = 256; char atomline[lineSize]; snprintf(atomline, lineSize - 1, "%-*d %d %10f %10f %10f\n", static_cast(log(numAtoms)) + 1, static_cast(outputIdx + 1), static_cast(composition[atom.atomicNumber()]), coords.x(), coords.y(), coords.z()); atomStream << atomline; ++outputIdx; } atomStream << std::endl << std::endl; } if (numBonds) { // Bonds - only include bonds where both atoms are in the unique set std::map, int> bondIds; int bondItr = 1; bondStream << "Bonds\n\n"; const unsigned int lineSize = 256; Index bondOutputIdx = 0; for (Index i = 0; i < mol2.bondCount(); ++i) { Bond b = mol2.bond(i); // Skip bonds where either atom was filtered out auto it1 = indexMap.find(b.atom1().index()); auto it2 = indexMap.find(b.atom2().index()); if (it1 == indexMap.end() || it2 == indexMap.end()) continue; // Use remapped indices (1-based for output) Index newIdx1 = it1->second + 1; Index newIdx2 = it2->second + 1; char bondline[lineSize]; if (bondIds.find(std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())) != bondIds.end()) { snprintf(bondline, lineSize - 1, "%-*d %7d %7d %7d\n", static_cast(log(numAtoms) + 1), static_cast(bondOutputIdx + 1), bondIds[std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())], static_cast(newIdx1), static_cast(newIdx2)); bondStream << bondline; } else if (bondIds.find(std::make_pair(b.atom2().atomicNumber(), b.atom1().atomicNumber())) != bondIds.end()) { snprintf(bondline, lineSize - 1, "%-*d %7d %7d %7d\n", static_cast(log(numAtoms) + 1), static_cast(bondOutputIdx + 1), bondIds[std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())], static_cast(newIdx2), static_cast(newIdx1)); bondStream << bondline; } else { bondIds.insert(std::make_pair( std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber()), bondItr++)); snprintf(bondline, lineSize - 1, "%-*d %7d %7d %7d\n", static_cast(log(numAtoms) + 1), static_cast(bondOutputIdx + 1), bondIds[std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())], static_cast(newIdx1), static_cast(newIdx2)); bondStream << bondline; } ++bondOutputIdx; } } UnitCell* unitcell = mol2.unitCell(); const unsigned int lineSize = 256; char simBoxBlock[lineSize]; if (unitcell) { const Matrix3& mat = unitcell->cellMatrix().transpose(); snprintf(simBoxBlock, lineSize - 1, "%10f %10f xlo xhi\n%10f %10f ylo yhi\n%10f %10f zlo zhi\n%10f " "%10f %10f xy xz yz", 0.0, mat(0, 0), 0.0, mat(1, 1), 0.0, mat(2, 2), mat(1, 0), mat(2, 0), mat(2, 1)); outStream << simBoxBlock; } else { snprintf(simBoxBlock, lineSize - 1, "%10f %10f xlo xhi\n%10f %10f ylo yhi\n%10f %10f zlo zhi\n%10f " "%10f %10f xy xz yz", xmin - 0.5, xmax - 0.5, ymin - 0.5, ymax - 0.5, zmin - 0.5, zmax - 0.5, 0.0, 0.0, 0.0); outStream << simBoxBlock; } outStream << std::endl << std::endl << std::endl; outStream << massStream.str(); outStream << atomStream.str(); outStream << bondStream.str(); return true; } std::vector LammpsDataFormat::fileExtensions() const { std::vector ext; ext.emplace_back("lmpdat"); return ext; } std::vector LammpsDataFormat::mimeTypes() const { std::vector mime; mime.emplace_back("N/A"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/lammpsformat.h000066400000000000000000000053231516317240700245610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_LAMMPSFORMAT_H #define AVOGADRO_IO_LAMMPSFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class LammpsTrajectoryFormat lammpsformat.h * @brief Implementation of the generic lammps trajectory format. * @author Adarsh B */ class AVOGADROIO_EXPORT LammpsTrajectoryFormat : public FileFormat { public: LammpsTrajectoryFormat() = default; ~LammpsTrajectoryFormat() override = default; Operations supportedOperations() const override { return Read | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new LammpsTrajectoryFormat; } std::string identifier() const override { return "Avogadro: LAMMPS Trajectory dump"; } std::string name() const override { return "LAMMPS"; } std::string description() const override { return "Generic LAMMPS Trajectory format."; } std::string specificationUrl() const override { return "https://www.lammps.org/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; class AVOGADROIO_EXPORT LammpsDataFormat : public FileFormat { public: LammpsDataFormat() = default; ~LammpsDataFormat() override = default; Operations supportedOperations() const override { return Write | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new LammpsDataFormat; } std::string identifier() const override { return "Avogadro: LAMMPS Data"; } std::string name() const override { return "LAMMPS"; } std::string description() const override { return "Generic LAMMPS Data format."; } std::string specificationUrl() const override { return "https://www.lammps.org/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io // end Avogadro namespace #endif // AVOGADRO_IO_LAMMPSFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/mdlformat.cpp000066400000000000000000000737161516317240700244120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mdlformat.h" #include "fileformatmanager.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Elements; using Avogadro::Core::endsWith; using Avogadro::Core::lexicalCast; using Avogadro::Core::split; using Avogadro::Core::startsWith; using Avogadro::Core::trimmed; using std::getline; using std::istringstream; using std::setprecision; using std::setw; using std::string; namespace Avogadro::Io { using chargePair = std::pair; namespace { // Helper function to handle partial charge property blocks // e.g. PUBCHEM_MMFF94_PARTIAL_CHARGES void handlePartialCharges(Core::Molecule& mol, std::string data, std::string name = "MMFF94") { // the string starts with the number of charges // then atom index charge MatrixX charges(mol.atomCount(), 1); std::istringstream iss(data); size_t numCharges; iss >> numCharges; if (numCharges == 0 || numCharges > mol.atomCount()) { return; } for (size_t i = 0; i < numCharges; ++i) { if (!iss.good()) { return; } size_t index = 0; Real charge = 0.0; iss >> index; if (iss.fail() || index == 0 || index > mol.atomCount()) { return; } iss >> charge; if (iss.fail()) { return; } // prints with atom index 1, not zero charges(index - 1, 0) = charge; } // if present, remove atom.dpos and CHARGES from the string if (startsWith(name, "atom.dpos")) { name = name.substr(9, name.size() - 16); } if (endsWith(name, "CHARGES")) { name = name.substr(0, name.size() - 7); } mol.setPartialCharges(name, charges); } } // namespace bool MdlFormat::read(std::istream& in, Core::Molecule& mol) { string buffer; int spinMultiplicity = 1; // check for RAD lines // The first line is the molecule name. getline(in, buffer); buffer = trimmed(buffer); // Check for the record separator in SDF, and skip if found. if (buffer == "$$$$") { getline(in, buffer); buffer = trimmed(buffer); } if (!buffer.empty()) mol.setData("name", buffer); if (!in.good()) { appendError("Error reading molecule name."); return false; } // check the generator line for 2D vs 3D getline(in, buffer); // e.g. -OEChem-01062507112D // check the last 2 characters if (buffer.size() >= 2 && buffer.compare(buffer.size() - 2, 2, "2D") == 0) { m_is2D = true; // we should use Open Babel and --gen3D FileFormat* reader = nullptr; std::vector readers = Io::FileFormatManager::instance().fileFormatsFromFileExtension( "sdf", FileFormat::File | FileFormat::Read); // loop through writers to check for "cclib" or "Open Babel" for (const FileFormat* r : readers) { if (r->identifier().compare(0, 9, "OpenBabel") == 0) { reader = r->newInstance(); break; } } // make sure to generate 3D coordinates std::string options("{ \"arguments\": [\"--gen3D\"] }"); auto currentPos = in.tellg(); if (reader) { reader->setOptions(options); in.clear(); in.seekg(0); if (reader->read(in, mol)) { delete reader; return true; } else { in.clear(); in.seekg(currentPos); // continue with normal parsing } delete reader; } } getline(in, buffer); if (!in.good()) { appendError("Error reading generator and comment lines."); return false; } // The counts line, and version identifier. getline(in, buffer); // should be long enough, e.g. // 5 4 0 0 0 0 0 0 0 0999 V2000 if (!in.good() || buffer.size() < 39) { appendError("Error reading counts line."); return false; } bool ok(false); int numAtoms(lexicalCast(buffer.substr(0, 3), ok)); if (!ok) { appendError("Error parsing number of atoms."); return false; } int numBonds(lexicalCast(buffer.substr(3, 3), ok)); if (!ok) { appendError("Error parsing number of bonds."); return false; } string mdlVersion(trimmed(buffer.substr(33))); if (mdlVersion == "V3000") return readV3000(in, mol); else if (mdlVersion != "V2000") { appendError("Unsupported MDL version: " + mdlVersion); return false; } // Parse the atom block. std::vector chargeList; std::vector atomicNumbers; // Store for conformer validation atomicNumbers.reserve(numAtoms); for (int i = 0; i < numAtoms; ++i) { Vector3 pos; getline(in, buffer); // 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 if (!in.good() || buffer.size() < 40) { appendError("Error reading atom block."); return false; } pos.x() = lexicalCast(buffer.substr(0, 10), ok); if (!ok) { appendError("Failed to parse x coordinate: " + buffer.substr(0, 10)); return false; } pos.y() = lexicalCast(buffer.substr(10, 10), ok); if (!ok) { appendError("Failed to parse y coordinate: " + buffer.substr(10, 10)); return false; } pos.z() = lexicalCast(buffer.substr(20, 10), ok); if (!ok) { appendError("Failed to parse z coordinate: " + buffer.substr(20, 10)); return false; } string element(trimmed(buffer.substr(31, 3))); auto charge(lexicalCast(trimmed(buffer.substr(36, 3))).value_or(0)); if (!buffer.empty()) { unsigned char atomicNum = Elements::atomicNumberFromSymbol(element); if (element == "D" || element == "T") atomicNum = 1; // Deuterium and Tritium are hydrogen atomicNumbers.push_back(atomicNum); Atom newAtom = mol.addAtom(atomicNum); if (element == "D") { newAtom.setIsotope(2); } else if (element == "T") { newAtom.setIsotope(3); } newAtom.setPosition3d(pos); // In case there's no CHG property if (charge == 4) // doublet radical spinMultiplicity += 1; charge = (charge > 4) ? ((charge <= 7) ? 4 - charge : 0) : ((charge < 4) ? charge : 0); if (charge) chargeList.emplace_back(newAtom.index(), charge); // vvv field: valence (columns 48-50), 0 = default if (buffer.size() >= 51) { int valence = lexicalCast(trimmed(buffer.substr(48, 3))).value_or(0); if (valence > 0 && valence <= 6) { Core::AtomHybridization hyb = Core::HybridizationUnknown; if (valence <= 2) hyb = Core::SP; else if (valence == 3) hyb = Core::SP2; else if (valence == 4) hyb = Core::SP3; else if (valence == 5) hyb = Core::TrigonalBipyramidal; else if (valence == 6) hyb = Core::Octahedral; mol.setHybridization(newAtom.index(), hyb); } } continue; } else { appendError("Error parsing atom block: " + buffer); return false; } } // Parse the bond block. for (int i = 0; i < numBonds; ++i) { // Bond atom indices start at 1, -1 for C++. getline(in, buffer); // 1 2 1 0 0 0 0 if (!in.good() || buffer.size() < 10) { appendError("Error reading bond block."); return false; } int begin(lexicalCast(buffer.substr(0, 3), ok) - 1); if (!ok) { appendError("Error parsing beginning bond index:" + buffer.substr(0, 3)); return false; } int end(lexicalCast(buffer.substr(3, 3), ok) - 1); if (!ok) { appendError("Error parsing end bond index:" + buffer.substr(3, 3)); return false; } int order(lexicalCast(buffer.substr(6, 3), ok)); if (!ok) { appendError("Error parsing bond order:" + buffer.substr(6, 3)); return false; } if (begin < 0 || begin >= numAtoms || end < 0 || end >= numAtoms) { appendError("Bond read in with out of bounds index."); return false; } mol.addBond(mol.atom(begin), mol.atom(end), static_cast(order)); } // Parse the properties block until the end of the file. // Property lines count is not used, as it it now unsupported. bool foundEnd(false); bool foundChgProperty(false); while (getline(in, buffer)) { if (!in.good() || buffer.size() < 5) { break; } if (startsWith(buffer, "M END") || startsWith(buffer, "M END")) { foundEnd = true; break; } else if (buffer.size() >= 6 && buffer.substr(0, 6) == "M CHG") { if (!foundChgProperty) chargeList.clear(); // Forget old-style charges size_t entryCount(lexicalCast(buffer.substr(6, 3), ok)); if (buffer.length() < 17 + 8 * (entryCount - 1)) { appendError("Error parsing charge block."); std::cout << " " << entryCount << " " << buffer.length() << std::endl; return false; } for (size_t i = 0; i < entryCount; i++) { size_t index(lexicalCast(buffer.substr(10 + 8 * i, 3), ok) - 1); if (!ok) { appendError("Error parsing charged atom index:" + buffer.substr(10 + 8 * i, 3)); return false; } auto charge(lexicalCast(buffer.substr(14 + 8 * i, 3), ok)); if (!ok) { appendError("Error parsing atom charge:" + buffer.substr(14 + 8 * i, 3)); return false; } if (charge) chargeList.emplace_back(index, charge); } } else if (buffer.size() >= 6 && buffer.substr(0, 6) == "M RAD") { // radical center spinMultiplicity = 1; // reset and count size_t entryCount(lexicalCast(buffer.substr(6, 3), ok)); if (buffer.length() < 17 + 8 * (entryCount - 1)) { appendError("Error parsing radical block."); return false; } for (size_t i = 0; i < entryCount; i++) { [[maybe_unused]] size_t index( lexicalCast(buffer.substr(10 + 8 * i, 3), ok) - 1); if (!ok) { appendError("Error parsing radical atom index:" + buffer.substr(10 + 8 * i, 3)); return false; } auto radical(lexicalCast(buffer.substr(14 + 8 * i, 3), ok)); if (!ok) { appendError("Error parsing radical type:" + buffer.substr(14 + 8 * i, 3)); return false; } // we don't set radical centers, just count them // for the total spin multiplicity if (radical == 2) // doublet spinMultiplicity += 1; else if (radical == 3) // triplet spinMultiplicity += 2; } } else if (buffer.size() >= 6 && buffer.substr(0, 6) == "M ISO") { // isotope size_t entryCount(lexicalCast(buffer.substr(6, 3), ok)); if (buffer.length() < 17 + 8 * (entryCount - 1)) { appendError("Error parsing isotope block."); return false; } for (size_t i = 0; i < entryCount; i++) { size_t index(lexicalCast(buffer.substr(10 + 8 * i, 3), ok) - 1); if (!ok) { appendError("Error parsing isotope atom index:" + buffer.substr(10 + 8 * i, 3)); return false; } auto isotope(lexicalCast(buffer.substr(14 + 8 * i, 3), ok)); if (!ok) { appendError("Error parsing isotope type:" + buffer.substr(14 + 8 * i, 3)); return false; } mol.setIsotope(index, isotope); } } // isotope #ifndef NDEBUG else if (buffer.size() >= 6) { std::cout << " prefix " << buffer.substr(0, 6) << std::endl; } #endif } if (!foundEnd) { appendError("Error, ending tag for file not found."); // return false; } // Apply charges. for (auto& i : chargeList) { size_t index = i.first; signed int charge = i.second; mol.setFormalCharge(index, charge); } // Set the total spin multiplicity if (spinMultiplicity > 1) mol.setData("totalSpinMultiplicity", spinMultiplicity); // Check that all atoms were handled. if (mol.atomCount() != static_cast(numAtoms) || mol.bondCount() != static_cast(numBonds)) { std::ostringstream errorStream; errorStream << "Error parsing file, got " << mol.atomCount() << "atoms, expected " << numAtoms << ", got " << mol.bondCount() << ", expected " << numBonds << "."; appendError(errorStream.str()); return false; } // Now parse the data block. bool inValue(false); string dataName; string dataValue; while (getline(in, buffer) && in.good()) { if (trimmed(buffer) == "$$$$") break; if (inValue) { // Use trimmed() to handle Windows CRLF line endings where \r remains if (trimmed(buffer).empty() && dataName.length() > 0) { // check for partial charges if (dataName == "PUBCHEM_MMFF94_PARTIAL_CHARGES") handlePartialCharges(mol, dataValue); else if (startsWith(dataName, "atom.dpos") && endsWith(dataName, "CHARGES")) // remove the "CHARGES" from the end of the string handlePartialCharges(mol, dataValue, dataName); else mol.setData(dataName, dataValue); dataName.clear(); dataValue.clear(); inValue = false; } else { if (dataValue.length()) dataValue += "\n"; dataValue += trimmed(buffer); } } else if (startsWith(buffer, "> ")) { // This is a data header, read the name of the entry, and the value on // the following lines. // e.g., > // dataName will be anything from < to > size_t start = buffer.find('<'); size_t end = buffer.find('>', start); if (start != string::npos && end != string::npos) { dataName = buffer.substr(start + 1, end - start - 1); inValue = true; } } } // handle pKa from QupKake model if (mol.hasData("pka") && mol.hasData("idx")) { // pka can sometimes say "tensor(3.1452)" or "3.1452" // just convert to a string with 2 decimal places std::string pka = mol.data("pka").toString(); if (startsWith(pka, "tensor(")) pka = pka.substr(7, pka.size() - 8); // find the decimal to only keep 2 decimal places size_t decimal = pka.find("."); if (decimal != std::string::npos) pka = pka.substr(0, decimal + 3); mol.setData("pka", pka); // convert the idx to an atom index // and set the label std::string idx = mol.data("idx").toString(); size_t atomIdx = lexicalCast(idx).value_or(0); mol.setAtomLabel(atomIdx, pka); } // Read additional conformers from the file // Save the initial coordinates as coordinate set 0 mol.setCoordinate3d(mol.atomPositions3d(), 0); int coordSet = 1; // Look for additional molecule blocks after $$$$ // (in case there are multiple conformers / coordinates) // e.g. this is a multi-conformer or trajectory file while (in.good()) { // Save position at start of potential molecule block std::streampos molPos = in.tellg(); // Skip to start of next molecule (should already be at $$$$ or past it) // Read the molecule name line if (!getline(in, buffer)) break; buffer = trimmed(buffer); // Skip $$$$ if we encounter it if (buffer == "$$$$") { // Update position to after $$$$, at start of next molecule molPos = in.tellg(); if (!getline(in, buffer)) break; buffer = trimmed(buffer); } // Empty line or EOF means no more molecules if (buffer.empty() && !in.good()) break; // Skip generator and comment lines if (!getline(in, buffer) || !getline(in, buffer)) break; // Read counts line if (!getline(in, buffer) || buffer.size() < 39) break; // Check if this is V3000 - skip if so // (that would be weird mixing V2000 and V3000) string version(trimmed(buffer.substr(33))); if (version == "V3000") { // Restore stream position for potential future reading if (molPos != std::streampos(-1)) in.seekg(molPos); break; } // Parse atom count and verify it matches int confAtoms = lexicalCast(buffer.substr(0, 3), ok); if (!ok || confAtoms != numAtoms) { // Different molecule - restore stream position if (molPos != std::streampos(-1)) in.seekg(molPos); break; } int confBonds = lexicalCast(buffer.substr(3, 3), ok); if (!ok) break; // Parse atom block and collect positions Array positions; positions.reserve(numAtoms); bool validConformer = true; for (int i = 0; i < confAtoms; ++i) { if (!getline(in, buffer) || buffer.size() < 40) { validConformer = false; break; } Vector3 pos; pos.x() = lexicalCast(buffer.substr(0, 10), ok); if (!ok) { validConformer = false; break; } pos.y() = lexicalCast(buffer.substr(10, 10), ok); if (!ok) { validConformer = false; break; } pos.z() = lexicalCast(buffer.substr(20, 10), ok); if (!ok) { validConformer = false; break; } // Check element matches string element(trimmed(buffer.substr(31, 3))); unsigned char atomicNum = Elements::atomicNumberFromSymbol(element); if (element == "D" || element == "T") atomicNum = 1; if (atomicNum != atomicNumbers[i]) { validConformer = false; break; // Different element, not the same molecule } positions.push_back(pos); } if (!validConformer) { // Different molecule or parse error - restore stream position if (molPos != std::streampos(-1)) in.seekg(molPos); break; } // Skip bond block for (int i = 0; i < confBonds; ++i) { if (!getline(in, buffer)) break; } // Skip properties block until M END // TODO: Consider reading properties in the future // (e.g. if radicals or charges change during a trajectory) while (getline(in, buffer)) { if (startsWith(buffer, "M END") || startsWith(buffer, "M END")) break; } // Skip data block until $$$$ // TODO: Consider reading data from conformers in the future // e.g. energies, etc. while (getline(in, buffer)) { if (trimmed(buffer) == "$$$$") break; } // Add the conformer coordinates mol.setCoordinate3d(positions, coordSet++); } return true; } bool MdlFormat::readV3000(std::istream& in, Core::Molecule& mol) { string buffer; int spinMultiplicity = 1; // check for RAD lines // we should have M V30 BEGIN CTAB getline(in, buffer); if (trimmed(buffer) != "M V30 BEGIN CTAB") { appendError("Error parsing V3000 file, expected 'M V30 BEGIN CTAB'."); return false; } // now we should get the counts line // e.g. 'M V30 COUNTS 23694 24297 0 0 1' getline(in, buffer); // split by whitespace std::vector counts = split(trimmed(buffer), ' '); if (counts.size() < 5) { appendError("Error parsing V3000 counts line."); return false; } bool ok(false); int numAtoms(lexicalCast(counts[3], ok)); if (!ok) { appendError("Error parsing number of atoms."); return false; } int numBonds(lexicalCast(counts[4], ok)); if (!ok) { appendError("Error parsing number of bonds."); return false; } // Parse the atom block. // 'M V30 BEGIN ATOM' // 'M V30 1 N 171.646 251.874 224.877 0' getline(in, buffer); if (trimmed(buffer) != "M V30 BEGIN ATOM") { appendError("Error parsing V3000 atom block."); return false; } for (int i = 0; i < numAtoms; ++i) { getline(in, buffer); std::vector atomData = split(trimmed(buffer), ' '); if (atomData.size() < 7) { appendError("Error parsing V3000 atom line."); return false; } string element(trimmed(atomData[3])); unsigned char atomicNum = Elements::atomicNumberFromSymbol(element); Atom newAtom = mol.addAtom(atomicNum); if (element == "D") { newAtom.setAtomicNumber(1); newAtom.setIsotope(2); } else if (element == "T") { newAtom.setAtomicNumber(1); newAtom.setIsotope(3); } Vector3 pos; pos.x() = lexicalCast(atomData[4], ok); if (!ok) { appendError("Failed to parse x coordinate: " + atomData[3]); return false; } pos.y() = lexicalCast(atomData[5], ok); if (!ok) { appendError("Failed to parse y coordinate: " + atomData[4]); return false; } pos.z() = lexicalCast(atomData[6], ok); if (!ok) { appendError("Failed to parse z coordinate: " + atomData[5]); return false; } newAtom.setPosition3d(pos); // check for formal charge in the atom block // CHG=1 for example if (atomData.size() > 8) { // loop through the key=value pairs for (size_t j = 8; j < atomData.size(); ++j) { string key = atomData[j]; if (startsWith(key, "CHG=")) { int charge = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse atom charge: " + key); return false; } newAtom.setFormalCharge(charge); } else if (startsWith(key, "RAD=")) { // radical center int radical = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse radical type: " + key); return false; } // we don't set radical centers, just count them // for the total spin multiplicity if (radical == 2) // doublet spinMultiplicity += 1; else if (radical == 3) // triplet spinMultiplicity += 2; } else if (startsWith(key, "ISO=")) { // isotope int isotope = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse isotope type: " + key); return false; } mol.setIsotope(newAtom.index(), isotope); } else if (startsWith(key, "VAL=")) { // explicit valence — map to hybridization int valence = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse valence: " + key); return false; } // VAL=0 means "no marking" (default), VAL=-1 means zero valence if (valence > 0 && valence <= 6) { Core::AtomHybridization hyb = Core::HybridizationUnknown; if (valence <= 2) hyb = Core::SP; else if (valence == 3) hyb = Core::SP2; else if (valence == 4) hyb = Core::SP3; else if (valence == 5) hyb = Core::TrigonalBipyramidal; else if (valence == 6) hyb = Core::Octahedral; mol.setHybridization(newAtom.index(), hyb); } } else { #ifndef NDEBUG std::cerr << "Unknown key: " << key << std::endl; #endif } } // end of key-value loop } } // end of atom block getline(in, buffer); // check for END ATOM if (trimmed(buffer) != "M V30 END ATOM") { appendError("Error parsing V3000 atom block."); return false; } // bond block // 'M V30 BEGIN BOND' // 'M V30 1 1 1 2' getline(in, buffer); if (trimmed(buffer) != "M V30 BEGIN BOND") { appendError("Error parsing V3000 bond block."); return false; } for (int i = 0; i < numBonds; ++i) { getline(in, buffer); std::vector bondData = split(trimmed(buffer), ' '); if (bondData.size() < 5) { appendError("Error parsing V3000 bond line."); return false; } int order = lexicalCast(bondData[3], ok); if (!ok) { appendError("Failed to parse bond order: " + bondData[3]); return false; } int atom1 = lexicalCast(bondData[4], ok) - 1; if (!ok) { appendError("Failed to parse bond atom1: " + bondData[4]); return false; } int atom2 = lexicalCast(bondData[5], ok) - 1; if (!ok) { appendError("Failed to parse bond atom2: " + bondData[5]); return false; } mol.addBond(mol.atom(atom1), mol.atom(atom2), static_cast(order)); } // end of bond block // look for M END while (getline(in, buffer)) { if (trimmed(buffer) == "M END") break; } // read in any properties while (getline(in, buffer)) { if (startsWith(buffer, "> <")) { string key = trimmed(buffer.substr(3, buffer.length() - 4)); string value; while (getline(in, buffer)) { if (trimmed(buffer) == "") break; value += buffer + "\n"; } mol.setData(key, value); } } // if we have a spin multiplicity, set it if (spinMultiplicity > 1) mol.setData("totalSpinMultiplicity", spinMultiplicity); return true; } bool MdlFormat::writeV3000(std::ostream& out, const Core::Molecule& mol) { // write the "fake" counts line out << " 0 0 0 0 0 999 V3000\n"; out << "M V30 BEGIN CTAB\n"; out << "M V30 COUNTS " << mol.atomCount() << ' ' << mol.bondCount() << " 0 0 0\n"; // atom block out << "M V30 BEGIN ATOM\n"; for (size_t i = 0; i < mol.atomCount(); ++i) { Atom atom = mol.atom(i); out << "M V30 " << i + 1 << ' ' << Elements::symbol(atom.atomicNumber()) << ' ' << atom.position3d().x() << ' ' << atom.position3d().y() << ' ' << atom.position3d().z() << " 0"; if (atom.formalCharge()) out << " CHG=" << atom.formalCharge(); out << "\n"; } out << "M V30 END ATOM\n"; // bond block out << "M V30 BEGIN BOND\n"; for (size_t i = 0; i < mol.bondCount(); ++i) { Bond bond = mol.bond(i); out << "M V30 " << i + 1 << ' ' << static_cast(bond.order()) << ' ' << (bond.atom1().index() + 1) << ' ' << (bond.atom2().index() + 1) << " \n"; } out << "M V30 END BOND\n"; out << "M V30 END CTAB\n"; out << "M END\n"; // TODO: isotopes, radicals, etc. if (m_writeProperties) { const auto dataMap = mol.dataMap(); for (const auto& key : dataMap.names()) { // skip some keys if (key == "modelView" || key == "projection") continue; out << "> <" << key << ">\n"; out << dataMap.value(key).toString() << "\n"; out << "\n"; // empty line between data blocks } } if (m_writeProperties || isMode(FileFormat::MultiMolecule)) out << "$$$$\n"; return true; } bool MdlFormat::write(std::ostream& out, const Core::Molecule& mol) { // Header lines. out << mol.data("name").toString() << "\n"; // Mol block header - need to indicate 3D coords // e.g. Avogadro08072512293D // name of program MMDDYYHM3D auto now = std::chrono::system_clock::now(); // Convert to time_t for use with ctime functions std::time_t time_t_now = std::chrono::system_clock::to_time_t(now); // Convert to a local time structure (tm) std::tm* local_time = std::localtime(&time_t_now); // Format the time using std::put_time // %m: Month as decimal number (01-12) // %d: Day of the month as decimal number (01-31) // %y: Year without century (00-99) // %H: Hour in 24-hour format (00-23) // %M: Minute as decimal number (00-59) out << " Avogadro" << std::put_time(local_time, "%m%d%y%H%M") << "3D\n\n"; // Counts line. if (mol.atomCount() > 999 || mol.bondCount() > 999) { // we need V3000 support for big molecules return writeV3000(out, mol); } out << setw(3) << std::right << mol.atomCount() << setw(3) << mol.bondCount() << " 0 0 0 0 0 0 0 0999 V2000\n"; // Atom block. std::vector chargeList; for (size_t i = 0; i < mol.atomCount(); ++i) { Atom atom = mol.atom(i); signed int charge = atom.formalCharge(); if (charge) chargeList.emplace_back(atom.index(), charge); unsigned int chargeField = (charge < 0) ? ((charge >= -3) ? 4 - charge : 0) : ((charge <= 3) ? charge : 0); out << setw(10) << std::right << std::fixed << setprecision(4) << atom.position3d().x() << setw(10) << atom.position3d().y() << setw(10) << atom.position3d().z() << ' ' << setw(3) << std::left << Elements::symbol(atom.atomicNumber()) << " 0" << setw(3) << std::right << chargeField /* for compatibility */ << " 0 0 0 0 0 0 0 0 0 0\n"; } // Bond block. for (size_t i = 0; i < mol.bondCount(); ++i) { Bond bond = mol.bond(i); out.unsetf(std::ios::floatfield); out << setw(3) << std::right << bond.atom1().index() + 1 << setw(3) << bond.atom2().index() + 1 << setw(3) << static_cast(bond.order()) << " 0 0 0 0\n"; } // Properties block. for (auto& i : chargeList) { Index atomIndex = i.first; signed int atomCharge = i.second; out << "M CHG 1 " << setw(3) << std::right << atomIndex + 1 << ' ' << setw(3) << atomCharge << "\n"; } // TODO: isotopes, etc. out << "M END\n"; // Data block if (m_writeProperties) { const auto dataMap = mol.dataMap(); for (const auto& key : dataMap.names()) { // skip some keys if (key == "modelView" || key == "projection") continue; out << "> <" << key << ">\n"; out << dataMap.value(key).toString() << "\n"; out << "\n"; // empty line between data blocks } } if (m_writeProperties || isMode(FileFormat::MultiMolecule)) out << "$$$$\n"; return true; } std::vector MdlFormat::fileExtensions() const { std::vector ext; ext.emplace_back("mol"); return ext; } std::vector MdlFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-mdl-molfile"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/mdlformat.h000066400000000000000000000044041516317240700240430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_MDLFORMAT_H #define AVOGADRO_IO_MDLFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class MdlFormat mdlformat.h * @brief Implementation of the generic MDL format. * @author Marcus D. Hanwell * * Currently just supports V2000 of the format. */ class AVOGADROIO_EXPORT MdlFormat : public FileFormat { public: MdlFormat() = default; ~MdlFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new MdlFormat; } std::string identifier() const override { return "Avogadro: MDL"; } std::string name() const override { return "MDL"; } std::string description() const override { return "Generic format that contains atoms, bonds, positions."; } std::string specificationUrl() const override { return "https://web.archive.org/web/20210219065450/https://" "discover.3ds.com/sites/default/files/2020-08/" "biovia_ctfileformats_2020.pdf"; // http://help.accelrysonline.com/ulm/onelab/1.0/content/ulm_pdfs/direct/reference/ctfileformats2016.pdf /* for previous (2011) version, see: https://web.archive.org/web/20180329184712/http://download.accelrys.com/freeware/ctfile-formats/ctfile-formats.zip */ } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; [[nodiscard]] bool readV3000(std::istream& in, Core::Molecule& molecule); [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; [[nodiscard]] bool writeV3000(std::ostream& out, const Core::Molecule& molecule); protected: bool m_writeProperties = false; bool m_is2D = false; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_MDLFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/mmtfformat.cpp000066400000000000000000000203511516317240700245640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mmtfformat.h" #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::Io { using std::string; using std::vector; using Core::Array; using Core::Elements; using Core::lexicalCast; using Core::Molecule; namespace { // from latest MMTF code, under the MIT license // https://github.com/rcsb/mmtf-cpp/blob/master/include/mmtf/structure_data.hpp #if MMTF_SPEC_VERSION_MAJOR <= 1 && MMTF_SPEC_VERSION_MINOR < 1 bool is_polymer(const unsigned int chain_index, const std::vector& entity_list) { for (const auto& i : entity_list) { if (std::find(i.chainIndexList.begin(), i.chainIndexList.end(), chain_index) != i.chainIndexList.end()) { return (i.type == "polymer" || i.type == "POLYMER"); } } return false; } #endif } // namespace bool MMTFFormat::read(std::istream& file, Molecule& molecule) { mmtf::StructureData structure; try { mmtf::decodeFromStream(structure, file); } catch (...) { // if decoding failed, the file is broken return false; } // This controls which model we load, currently just the first? size_t modelIndex = 0; size_t atomSkip = 0; size_t chainIndex = 0; size_t groupIndex = 0; size_t atomIndex = 0; molecule.setData("name", structure.title); if (structure.unitCell.size() == 6) { Real a = static_cast(structure.unitCell[0]); Real b = static_cast(structure.unitCell[1]); Real c = static_cast(structure.unitCell[2]); Real alpha = static_cast(structure.unitCell[3]) * DEG_TO_RAD; Real beta = static_cast(structure.unitCell[4]) * DEG_TO_RAD; Real gamma = static_cast(structure.unitCell[5]) * DEG_TO_RAD; auto* unitCellObject = new Core::UnitCell(a, b, c, alpha, beta, gamma); if (!unitCellObject->isRegular()) { appendError("cell matrix is singular"); delete unitCellObject; return false; } molecule.setUnitCell(unitCellObject); } // spaceGroup if (structure.spaceGroup.size() > 0) { unsigned short hall = 0; hall = Core::SpaceGroups::hallNumber(structure.spaceGroup); if (hall != 0) { molecule.setHallNumber(hall); } } auto modelChainCount = static_cast(structure.chainsPerModel[modelIndex]); auto entityList = structure.entityList; auto secStructList = structure.secStructList; Array rawToAtomId; Array altAtomIds; Array altAtomCoordSets; Array altAtomLocs; std::set altLocs; Array altAtomPositions; for (Index j = 0; j < modelChainCount; j++) { auto chainGroupCount = static_cast(structure.groupsPerChain[chainIndex]); bool ok; std::string chainid_string = structure.chainIdList[chainIndex]; char chainid = lexicalCast(chainid_string.substr(0, 1), ok); bool isPolymer = is_polymer(chainIndex, entityList); // A group is like a residue or other molecule in a PDB file. for (size_t k = 0; k < chainGroupCount; k++) { auto groupType = static_cast(structure.groupTypeList[groupIndex]); const auto& group = structure.groupList[groupType]; auto groupId = static_cast(structure.groupIdList[groupIndex]); auto resname = group.groupName; auto& residue = molecule.addResidue(resname, groupId, chainid); // Stores if the group / residue is a heterogen // if (!isPolymer || mmtf::is_hetatm(group.chemCompType.c_str())) residue.setHeterogen(true); // Unfortunately, while the spec says secondary structure // is (optionally) in groups, the code doesn't make it available. // group.secStruct is a binary type // https://github.com/rcsb/mmtf/blob/master/spec.md#secstructlist // 0 = pi helix, 1 = bend, 2 = alpha helix, 3 = extended beta, 4 = 3-10 // helix, etc. // residue.setSecondaryStructure(group.secStruct); // // instead, we'll get it from secStructList auto secStructure = structure.secStructList[groupIndex]; residue.setSecondaryStructure( static_cast(secStructure)); // Save the offset before we go changing it Index atomOffset = atomIndex - atomSkip; Index groupSize = group.atomNameList.size(); for (Index l = 0; l < groupSize; l++) { Vector3 pos(static_cast(structure.xCoordList[atomIndex]), static_cast(structure.yCoordList[atomIndex]), static_cast(structure.zCoordList[atomIndex])); if (structure.altLocList[atomIndex] != '\0' && structure.altLocList[atomIndex] != 'A') { rawToAtomId.push_back(-1); altAtomIds.push_back(molecule.atomCount() - 1); altAtomLocs.push_back(structure.altLocList[atomIndex]); altLocs.insert(structure.altLocList[atomIndex]); altAtomPositions.push_back(pos); atomIndex++; continue; } auto atom = molecule.addAtom( Elements::atomicNumberFromSymbol(group.elementList[l])); atom.setFormalCharge(group.formalChargeList[l]); atom.setPosition3d(pos); std::string atomName = group.atomNameList[l]; residue.addResidueAtom(atomName, atom); rawToAtomId.push_back(molecule.atomCount() - 1); atomIndex++; } // Intra-residue bonds for (size_t l = 0; l < group.bondOrderList.size(); l++) { auto atom1 = static_cast( rawToAtomId[atomOffset + group.bondAtomList[l * 2]]); auto atom2 = static_cast( rawToAtomId[atomOffset + group.bondAtomList[l * 2 + 1]]); char bo = static_cast(group.bondOrderList[l]); if (atom1 < molecule.atomCount() && atom2 < molecule.atomCount()) molecule.addBond(atom1, atom2, bo); } // This is the original PDB Chain name // if (!structure_.chainNameList.empty()) { // structure.chainNameList[chainIndex_]; //} groupIndex++; } chainIndex++; } // Use this eventually for multi-model formats modelIndex++; // These are for inter-residue bonds for (size_t i = 0; i < structure.bondAtomList.size() / 2; i++) { auto atom1 = static_cast(rawToAtomId[structure.bondAtomList[i * 2]]); auto atom2 = static_cast(rawToAtomId[structure.bondAtomList[i * 2 + 1]]); /* Code for multiple models // We are below the atoms we care about if (atom1 < atomSkip || atom2 < atomSkip) { continue; } // We are above the atoms we care about if (atom1 > atomIndex || atom2 > atomIndex) { continue; } */ if (atom1 < molecule.atomCount() && atom2 < molecule.atomCount()) molecule.addBond(atom1, atom2, 1); // Always a single bond } for (char l : altLocs) { Array coordinateSet = molecule.atomPositions3d(); bool found = false; for (size_t i = 0; i < altAtomLocs.size(); i++) { if (altAtomLocs[i] == l) { found = true; coordinateSet[altAtomIds[i]] = altAtomPositions[i]; } } if (found) { molecule.setCoordinate3d(coordinateSet, molecule.coordinate3dCount() ? molecule.coordinate3dCount() : 1); } } return true; } bool MMTFFormat::write(std::ostream&, const Core::Molecule&) { return false; } vector MMTFFormat::fileExtensions() const { vector ext; ext.emplace_back("mmtf"); return ext; } vector MMTFFormat::mimeTypes() const { vector mime; mime.emplace_back("chemical/x-mmtf"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/mmtfformat.h000066400000000000000000000032671516317240700242400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_MMTFFORMAT_H #define AVOGADRO_IO_MMTFFORMAT_H #include "fileformat.h" namespace Avogadro { namespace Core { class GaussianSet; } namespace Io { /** * @class MMTFFormat mmtfformat.h * @brief Implementation of the MMTF format. */ class AVOGADROIO_EXPORT MMTFFormat : public FileFormat { public: MMTFFormat() = default; ~MMTFFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new MMTFFormat; } std::string identifier() const override { return "Avogadro: MMTF"; } std::string name() const override { return "MacroMolecular Transmission Format"; } std::string description() const override { return "MMTF is a format used to express MacroMolecular data in a " "compressed binary format."; } std::string specificationUrl() const override { return "https://github.com/rcsb/mmtf-cpp"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; // unimplemented [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_MMTFFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/pdbformat.cpp000066400000000000000000000301101516317240700243600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pdbformat.h" #include "avogadro/core/avogadrocore.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Elements; using Avogadro::Core::lexicalCast; using Avogadro::Core::Residue; using Avogadro::Core::SecondaryStructureAssigner; using Avogadro::Core::startsWith; using Avogadro::Core::trimmed; using std::getline; using std::istringstream; using std::string; namespace Avogadro::Io { bool PdbFormat::read(std::istream& in, Core::Molecule& mol) { string buffer; std::vector terList; Residue* r = nullptr; size_t currentResidueId = 0; bool ok(false); int coordSet = 0; Array positions; Array rawToAtomId; Array altAtomIds; Array altAtomCoordSets; Array altAtomLocs; std::set altLocs; Array altAtomPositions; while (getline(in, buffer)) { // Read Each line one by one if (!in.good()) break; if (startsWith(buffer, "ENDMDL")) { // For the first frame (coordSet == 0), positions are stored directly // in the molecule, not in the positions array if (coordSet == 0) { mol.setCoordinate3d(mol.atomPositions3d(), coordSet++); } else if (!positions.empty()) { mol.setCoordinate3d(positions, coordSet++); positions.clear(); } } // e.g. CRYST1 4.912 4.912 6.696 90.00 90.00 120.00 P1 1 // https://www.wwpdb.org/documentation/file-format-content/format33/sect8.html else if (startsWith(buffer, "CRYST1") && buffer.length() >= 55) { // PDB reports in degrees and Angstroms // Avogadro uses radians internally auto a = lexicalCast(buffer.substr(6, 9)); auto b = lexicalCast(buffer.substr(15, 9)); auto c = lexicalCast(buffer.substr(24, 9)); auto alpha = lexicalCast(buffer.substr(33, 7)); auto beta = lexicalCast(buffer.substr(40, 7)); auto gamma = lexicalCast(buffer.substr(47, 8)); if (!a || !b || !c || !alpha || !beta || !gamma) { appendError("Failed to parse CRYST1 :" + buffer); return false; } auto* cell = new Core::UnitCell(*a, *b, *c, *alpha * DEG_TO_RAD, *beta * DEG_TO_RAD, *gamma * DEG_TO_RAD); if (!cell->isRegular()) { appendError("CRYST1 does not give linear independent lattice vectors"); delete cell; return false; } mol.setUnitCell(cell); // Parse space group symbol from columns 56-66 if (buffer.length() >= 66) { std::string spaceGroup = trimmed(buffer.substr(55, 11)); if (!spaceGroup.empty()) { // Tweak PDB space group recognition, e.g. `P 1 21 1` -> `P 1 2_1 1` // In each space-separated token, insert '_' between consecutive // digits for (size_t i = 0; i < spaceGroup.size() - 1; ++i) { if (std::isdigit(spaceGroup[i]) && std::isdigit(spaceGroup[i + 1])) { spaceGroup.insert(i + 1, 1, '_'); ++i; // skip past the inserted '_' } } unsigned short hall = Core::SpaceGroups::hallNumber(spaceGroup); if (hall > 0) mol.setHallNumber(hall); } } } else if (startsWith(buffer, "ATOM") || startsWith(buffer, "HETATM")) { if (buffer.length() < 54) { appendError("Error reading line."); return false; } // First we initialize the residue instance auto residueId = lexicalCast(buffer.substr(22, 4), ok); if (!ok) { appendError("Failed to parse residue sequence number: " + buffer.substr(22, 4)); return false; } if (residueId != currentResidueId) { currentResidueId = residueId; auto residueName = lexicalCast(buffer.substr(17, 3), ok); if (!ok) { appendError("Failed to parse residue name: " + buffer.substr(17, 3)); return false; } char chainId = lexicalCast(buffer.substr(21, 1), ok); if (!ok) { chainId = 'A'; // it's a non-standard "PDB"-like file } r = &mol.addResidue(residueName, currentResidueId, chainId); if (startsWith(buffer, "HETATM")) r->setHeterogen(true); } auto atomName = lexicalCast(buffer.substr(12, 4), ok); if (!ok) { appendError("Failed to parse atom name: " + buffer.substr(12, 4)); return false; } Vector3 pos; // Coordinates pos.x() = lexicalCast(buffer.substr(30, 8), ok); if (!ok) { appendError("Failed to parse x coordinate: " + buffer.substr(30, 8)); return false; } pos.y() = lexicalCast(buffer.substr(38, 8), ok); if (!ok) { appendError("Failed to parse y coordinate: " + buffer.substr(38, 8)); return false; } pos.z() = lexicalCast(buffer.substr(46, 8), ok); if (!ok) { appendError("Failed to parse z coordinate: " + buffer.substr(46, 8)); return false; } auto altLoc = lexicalCast(buffer.substr(16, 1), ok); string element; // Element symbol, right justified unsigned char atomicNum = 255; if (buffer.size() >= 78) { element = buffer.substr(76, 2); element = trimmed(element); if (element.length() == 2) element[1] = std::tolower(element[1]); atomicNum = Elements::atomicNumberFromSymbol(element); if (atomicNum == 255) appendError("Invalid element"); } if (atomicNum == 255) { // non-standard or old-school PDB file - try to parse the atom name element = trimmed(atomName); // remove any trailing digits while (element.size() && std::isdigit(element.back())) element.pop_back(); if (element == "SE") // For Sulphur element = 'S'; atomicNum = Elements::atomicNumberFromSymbol(element); if (atomicNum == 255) { appendError("Invalid element"); continue; // skip this invalid record } } if (altLoc.compare("") && altLoc.compare("A")) { if (coordSet == 0) { rawToAtomId.push_back(-1); altAtomIds.push_back(mol.atomCount() - 1); } else { altAtomIds.push_back(positions.size() - 1); } altAtomCoordSets.push_back(coordSet); altAtomLocs.push_back(altLoc[0]); altLocs.insert(altLoc[0]); altAtomPositions.push_back(pos); } else if (coordSet == 0) { Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(pos); if (r != nullptr) { r->addResidueAtom(atomName, newAtom); } rawToAtomId.push_back(mol.atomCount() - 1); } else { positions.push_back(pos); } } else if (startsWith(buffer, "TER") && buffer.length() >= 11) { // This is very important, each TER // record also counts in the serial. // Need to account for that when comparing with CONECT terList.push_back(lexicalCast(buffer.substr(6, 5), ok)); if (!ok) { appendError("Failed to parse TER serial"); return false; } } else if (startsWith(buffer, "CONECT")) { if (buffer.length() < 16) { appendError("Error reading line."); return false; } int a = lexicalCast(buffer.substr(6, 5), ok); if (!ok) { appendError("Failed to parse bond connection a " + buffer.substr(6, 5)); return false; } --a; size_t terCount; for (terCount = 0; terCount < terList.size() && a > terList[terCount]; ++terCount) ; // semicolon is intentional a = a - terCount; a = rawToAtomId[a]; int bCoords[] = { 11, 16, 21, 26 }; for (int i = 0; i < 4; i++) { // Check if buffer is long enough for this column if (static_cast(buffer.length()) < bCoords[i] + 5) break; if (trimmed(buffer.substr(bCoords[i], 5)).empty()) break; else { int b = lexicalCast(buffer.substr(bCoords[i], 5), ok) - 1; if (!ok) { appendError("Failed to parse bond connection b" + std::to_string(i) + " " + buffer.substr(bCoords[i], 5)); // return false; continue; // skip this invalid record } for (terCount = 0; terCount < terList.size() && b > terList[terCount]; ++terCount) ; // semicolon is intentional b = b - terCount; b = rawToAtomId[b]; if (a >= 0 && b >= 0) { auto aIndex = static_cast(a); auto bIndex = static_cast(b); if (aIndex < mol.atomCount() && bIndex < mol.atomCount()) { mol.addBond(aIndex, bIndex, 1); } else { appendError("Invalid bond connection: " + std::to_string(a) + " - " + std::to_string(b)); } } } } } } // End while loop if (mol.atomCount() == 0) { appendError("No atoms found in this file."); return false; } if (!positions.empty()) { // This handles the last set of positions if the file doesn't end with // ENDMDL mol.setCoordinate3d(positions, coordSet); } int count = mol.coordinate3dCount() ? mol.coordinate3dCount() : 1; for (int c = 0; c < count; ++c) { for (char l : altLocs) { Array coordinateSet = c == 0 ? mol.atomPositions3d() : mol.coordinate3d(c); bool found = false; for (size_t i = 0; i < altAtomCoordSets.size(); ++i) { if (altAtomCoordSets[i] == c && altAtomLocs[i] == l) { found = true; coordinateSet[altAtomIds[i]] = altAtomPositions[i]; } } if (found) mol.setCoordinate3d( coordinateSet, mol.coordinate3dCount() ? mol.coordinate3dCount() : 1); } } mol.perceiveBondsSimple(); mol.perceiveBondsFromResidueData(); perceiveSubstitutedCations(mol); // if there are residue data, assign secondary structure if (mol.residueCount() != 0) { SecondaryStructureAssigner ssa; ssa.assign(&mol); } return true; } // End read std::vector PdbFormat::fileExtensions() const { std::vector ext; ext.emplace_back("pdb"); ext.emplace_back("ent"); return ext; } std::vector PdbFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-pdb"); return mime; } void PdbFormat::perceiveSubstitutedCations(Core::Molecule& molecule) { for (Index i = 0; i < molecule.atomCount(); i++) { unsigned char requiredBondCount(0); switch (molecule.atomicNumber(i)) { case 7: case 15: case 33: case 51: requiredBondCount = 4; break; case 8: case 16: case 34: case 52: requiredBondCount = 3; } if (!requiredBondCount) continue; unsigned char bondCount(0); Index j = 0; for (const auto& bond : molecule.bonds(i)) { unsigned char otherAtomicNumber(0); otherAtomicNumber = molecule.atomicNumber(bond.getOtherAtom(i).index()); bondCount += bond.order(); if (otherAtomicNumber && otherAtomicNumber != 6) { bondCount = 0; break; } j++; } if (bondCount == requiredBondCount) { molecule.setFormalCharge(i, 1); } } } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/pdbformat.h000066400000000000000000000033321516317240700240330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_PDBFORMAT_H #define AVOGADRO_IO_PDBFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class PdbFormat pdbformat.h * @brief Parser for the PDB format. * @author Tanuj Kumar */ class AVOGADROIO_EXPORT PdbFormat : public FileFormat { public: PdbFormat() = default; ~PdbFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new PdbFormat; } std::string identifier() const override { return "Avogadro: PDB"; } std::string name() const override { return "PDB"; } std::string description() const override { return "Format that contains atoms, bonds, positions and secondary" "structures of proteins."; } std::string specificationUrl() const override { return "http://www.wwpdb.org/documentation/file-format-content/" "format33/v3.3.html"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream&, const Core::Molecule&) override { // Writing a PDB file is not currently supported return false; } void perceiveSubstitutedCations(Core::Molecule& molecule); }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_PDBFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/sdfformat.cpp000066400000000000000000000017451516317240700244030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sdfformat.h" namespace Avogadro::Io { SdfFormat::SdfFormat() : MdlFormat() { m_writeProperties = true; } SdfFormat::~SdfFormat() {} bool SdfFormat::read(std::istream& in, Core::Molecule& mol) { return MdlFormat::read(in, mol); } bool SdfFormat::write(std::ostream& out, const Core::Molecule& mol) { return MdlFormat::write(out, mol); } std::vector SdfFormat::fileExtensions() const { std::vector ext; ext.emplace_back("sdf"); ext.emplace_back("sd3"); return ext; } std::vector SdfFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-mdl-molfile"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/sdfformat.h000066400000000000000000000037641516317240700240530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_SDFFORMAT_H #define AVOGADRO_IO_SDFFORMAT_H #include "fileformat.h" #include "mdlformat.h" namespace Avogadro { namespace Io { /** * @class SdfFormat sdfformat.h * @brief Implementation of the generic SDF format. * @author Marcus D. Hanwell * * Differs from the MDL / Mol format in that it includes properties * * Currently just supports V2000 of the format. */ class AVOGADROIO_EXPORT SdfFormat : public MdlFormat { public: SdfFormat(); ~SdfFormat() override; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new SdfFormat; } std::string identifier() const override { return "Avogadro: SDF"; } std::string name() const override { return "SDF"; } std::string description() const override { return "Generic format that contains atoms, bonds, positions."; } std::string specificationUrl() const override { return "https://web.archive.org/web/20210219065450/https://" "discover.3ds.com/sites/default/files/2020-08/" "biovia_ctfileformats_2020.pdf"; /* for previous (2011) version, see: https://web.archive.org/web/20180329184712/http://download.accelrys.com/freeware/ctfile-formats/ctfile-formats.zip */ } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& in, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_MDLFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/trrformat.cpp000066400000000000000000000366431516317240700244430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "trrformat.h" #include "struct.h" #include #include #include #include #include #include #include #include using std::map; using std::pair; using std::string; using std::to_string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Molecule; using Core::UnitCell; constexpr int GROMACS_MAGIC = 1993; constexpr int DIM = 3; constexpr float NM_TO_ANGSTROM = 10.0; string TRRVERSION = "GMX_trn_file"; string HEADITEMS[] = { "ir_size", "e_size", "box_size", "vir_size", "pres_size", "top_size", "sym_size", "x_size", "v_size", "f_size", "natoms", "step", "nre", "time", "lambda" }; int swapInteger(int inp) { return (((inp << 24) & 0xff000000) | ((inp << 8) & 0x00ff0000) | ((inp >> 8) & 0x0000ff00) | ((inp >> 24) & 0x000000ff)); } char swapEndian(char endian) { if (endian == '>') return '<'; else return '>'; } /* Checks whether the data stored in the binary file is of float or double type */ int isDouble(map& header) { int SIZE_DOUBLE = struct_calcsize("d"); int size = 0; string headerKeys[] = { "box_size", "x_size", "v_size", "f_size" }; for (auto& headerKey : headerKeys) { if (header[headerKey] != 0) { if (headerKey == "box_size") { size = (int)(header[headerKey] / DIM * DIM); break; } else { size = (int)(header[headerKey] / (header["natoms"] * DIM)); break; } } } return size == SIZE_DOUBLE; } bool TrrFormat::read(std::istream& inStream, Core::Molecule& mol) { bool doubleStatus; char endian = '>', buff[BUFSIZ], fmt[BUFSIZ], raw[1000]; int magic, natoms, slen0, slen1, headval[13]; string subs, keyCheck[] = { "box_size", "vir_size", "pres_size" }, keyCheck2[] = { "x_size", "v_size", "f_size" }; map header; // Determining size of file inStream.seekg(0, inStream.end); int fileLen = inStream.tellg(); inStream.seekg(0, inStream.beg); // Binary file must start with 1993 snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); if (magic != GROMACS_MAGIC) { // Endian conversion magic = swapInteger(magic); endian = swapEndian(endian); if (magic != GROMACS_MAGIC) { appendError("Frame does not start with magic number 1993."); return false; } } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &slen0, &slen1); // Reading trajectory version string snprintf(fmt, sizeof(fmt), "%c%ds", endian, slen0 - 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, raw); subs = string(raw).substr(0, 12); if (subs != TRRVERSION) { appendError("Gromacs version string mismatch."); return false; } // "ir_size", "e_size", "box_size", "vir_size", "pres_size", // "top_size", "sym_size", "x_size", "v_size", "f_size", // "natoms", "step", "nre" snprintf(fmt, sizeof(fmt), "%c13i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &headval[0], &headval[1], &headval[2], &headval[3], &headval[4], &headval[5], &headval[6], &headval[7], &headval[8], &headval[9], &headval[10], &headval[11], &headval[12]); for (int i = 0; i < 13; ++i) { header.insert(pair(HEADITEMS[i], headval[i])); } // Reading timestep and lambda doubleStatus = isDouble(header); if (doubleStatus) { double header0, header1; snprintf(fmt, sizeof(fmt), "%c2d", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } else { float header0, header1; snprintf(fmt, sizeof(fmt), "%c2f", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } // Reading matrices corresponding to "box_size", "vir_size", "pres_size" for (auto& _kid : keyCheck) { if (header[_kid] != 0) { if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM * DIM); double mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { auto* uc = new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM)); if (!uc->isRegular()) { appendError("lattice vectors are not linear independent"); delete uc; return false; } mol.setUnitCell(uc); } } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM * DIM); float mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { auto* uc = new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM)); if (!uc->isRegular()) { appendError("lattice vectors are not linear independent"); return false; } mol.setUnitCell(uc); } } } } using AtomTypeMap = map; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; // Reading the coordinates of positions, velocities and forces for (auto& _kid : keyCheck2) { natoms = header["natoms"]; double coordsDouble[DIM]; float coordsFloat[DIM]; for (int i = 0; i < natoms; ++i) { if (header[_kid] != 0) { memset(coordsDouble, 0, sizeof(coordsDouble)); memset(coordsFloat, 0, sizeof(coordsFloat)); if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsDouble[0], &coordsDouble[1], &coordsDouble[2]); } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsFloat[0], &coordsFloat[1], &coordsFloat[2]); } if (_kid == "x_size") { // If parsed coordinates are fractional, the corresponding unscaling // is done. Else the positions are assigned as parsed. Vector3 pos( coordsDouble[0] * NM_TO_ANGSTROM + coordsFloat[0] * NM_TO_ANGSTROM, coordsDouble[1] * NM_TO_ANGSTROM + coordsFloat[1] * NM_TO_ANGSTROM, coordsDouble[2] * NM_TO_ANGSTROM + coordsFloat[2] * NM_TO_ANGSTROM); AtomTypeMap::const_iterator it; // if (it == atomTypes.end()) { atomTypes.insert( std::make_pair(to_string(i), customElementCounter++)); it = atomTypes.find(to_string(i)); // if (customElementCounter > CustomElementMax) { // appendError("Custom element type limit exceeded."); // return false; // } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(pos); } } } // Set the custom element map if needed if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto& atomType : atomTypes) { elementMap.insert( std::make_pair(atomType.second, "Atom " + atomType.first)); } mol.setCustomElementMap(elementMap); } } mol.setCoordinate3d(mol.atomPositions3d(), 0); // Do we have an animation? // EOF check int coordSet = 1; while (static_cast(inStream.tellg()) != fileLen) { // Binary header must start with 1993 snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); if (magic != GROMACS_MAGIC) { // Endian conversion magic = swapInteger(magic); endian = swapEndian(endian); if (magic != GROMACS_MAGIC) { appendError("Frame does not start with magic number 1993."); return false; } } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &slen0, &slen1); // Reading trajectory version string snprintf(fmt, sizeof(fmt), "%c%ds", endian, slen0 - 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, raw); subs = string(raw).substr(0, 12); if (subs != TRRVERSION) { appendError("Gromacs version string mismatch."); return false; } // "ir_size", "e_size", "box_size", "vir_size", "pres_size", // "top_size", "sym_size", "x_size", "v_size", "f_size", // "natoms", "step", "nre" snprintf(fmt, sizeof(fmt), "%c13i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &headval[0], &headval[1], &headval[2], &headval[3], &headval[4], &headval[5], &headval[6], &headval[7], &headval[8], &headval[9], &headval[10], &headval[11], &headval[12]); for (int i = 0; i < 13; ++i) { header.insert(pair(HEADITEMS[i], headval[i])); } // Reading timestep and lambda doubleStatus = isDouble(header); if (doubleStatus) { double header0, header1; snprintf(fmt, sizeof(fmt), "%c2d", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } else { float header0, header1; snprintf(fmt, sizeof(fmt), "%c2f", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } // Reading matrices corresponding to "box_size", "vir_size", "pres_size" for (auto& _kid : keyCheck) { if (header[_kid] != 0) { natoms = header["natoms"]; if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM * DIM); double mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { auto* uc = new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM)); if (!uc->isRegular()) { appendError("lattice vectors are not linear independent"); return false; } mol.setUnitCell(uc); } } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM * DIM); float mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { auto* uc = new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM)); if (!uc->isRegular()) { appendError("lattice vectors are not linear independent"); return false; } mol.setUnitCell(uc); } } } } natoms = header["natoms"]; Array positions; positions.reserve(natoms); // Reading the coordinates of positions, velocities and forces for (auto& _kid : keyCheck2) { double coordsDouble[DIM]; float coordsFloat[DIM]; for (int i = 0; i < natoms; ++i) { if (header[_kid] != 0) { memset(coordsDouble, 0, sizeof(coordsDouble)); memset(coordsFloat, 0, sizeof(coordsFloat)); if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsDouble[0], &coordsDouble[1], &coordsDouble[2]); } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsFloat[0], &coordsFloat[1], &coordsFloat[2]); } if (_kid == "x_size") { // If parsed coordinates are fractional, the corresponding unscaling // is done. Else the positions are assigned as parsed. Vector3 pos(coordsDouble[0] * NM_TO_ANGSTROM + coordsFloat[0] * NM_TO_ANGSTROM, coordsDouble[1] * NM_TO_ANGSTROM + coordsFloat[1] * NM_TO_ANGSTROM, coordsDouble[2] * NM_TO_ANGSTROM + coordsFloat[2] * NM_TO_ANGSTROM); positions.push_back(pos); } } } } mol.setCoordinate3d(positions, coordSet++); positions.clear(); } return true; } bool TrrFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector TrrFormat::fileExtensions() const { std::vector ext; ext.emplace_back("trr"); return ext; } std::vector TrrFormat::mimeTypes() const { std::vector mime; mime.emplace_back("application/octet-stream"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/trrformat.h000066400000000000000000000032361516317240700241000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_TRRFORMAT_H #define AVOGADRO_IO_TRRFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class TrrFormat trrformat.h * @brief Implementation of the generic trr trajectory format. * @author Adarsh B */ class AVOGADROIO_EXPORT TrrFormat : public FileFormat { public: TrrFormat() = default; ~TrrFormat() override = default; Operations supportedOperations() const override { return Read | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new TrrFormat; } std::string identifier() const override { return "Avogadro: GROMACS TRR"; } std::string name() const override { return "TRR"; } std::string description() const override { return "Generic TRR Trajectory format."; } std::string specificationUrl() const override { return "https://manual.gromacs.org/current/reference-manual/" "file-formats.html#trr"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& molecule) override; // uninplemented [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_TRRFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/turbomoleformat.cpp000066400000000000000000000351371516317240700256410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "turbomoleformat.h" #include #include #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using std::getline; using std::string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::rstrip; using Core::SpaceGroups; using Core::split; #ifndef _WIN32 using std::isalpha; #endif bool TurbomoleFormat::read(std::istream& inStream, Core::Molecule& mol) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); bool hasCell = false; bool hasLattice = false; bool fractionalCoords = false; // possible lattice constants // if periodic is either one or two, the values are used for "vacuum" Real a = 100.0, b = 100.0, c = 100.0; Real alpha = 90.0 * DEG_TO_RAD, beta = 90.0 * DEG_TO_RAD, gamma = 90.0 * DEG_TO_RAD; // defaults if periodicity is not 3 Vector3 v1(100.0, 0.0, 0.0); Vector3 v2(0.0, 100.0, 0.0); Vector3 v3(0.0, 0.0, 100.0); std::optional periodic_parsed, periodic_guessed; // we loop through each line until we hit $end or EOF string buffer; getline(inStream, buffer); while (inStream.good() && !buffer.empty()) { std::vector tokens = split(rstrip(buffer, '#'), ' '); if (tokens.empty()) { // "# comment line" getline(inStream, buffer); continue; } if (tokens[0] == "$end") break; if (tokens[0] == "$periodic") { if (tokens.size() != 2u) { appendError("Not enough or extra tokens in this line: " + buffer); return false; } if (auto tmp = lexicalCast(tokens[1])) { if (*tmp < 0 || *tmp > 3) { appendError("Invalid dimensionality: " + buffer); return false; } periodic_parsed = static_cast(*tmp); } else { appendError("Failed to parse: " + buffer); return false; } getline(inStream, buffer); continue; } if (tokens[0] == "$coord") { // check if there's a conversion to be done Real coordConversion = BOHR_TO_ANGSTROM; // default is Bohr if (std::find(tokens.begin(), tokens.end(), "angs") != tokens.end()) coordConversion = 1.0; // leave as Angstrom else if (std::find(tokens.begin(), tokens.end(), "frac") != tokens.end()) { fractionalCoords = true; coordConversion = 1.0; // we may not know the lattice constants yet } else if (tokens.size() > 1u && tokens[1][0] != '#') { std::cerr << "Ignore unknown trailing token and assume bohr: " << buffer << '\n'; } getline(inStream, buffer); tokens = split(rstrip(buffer, '#'), ' '); while (!tokens.empty() && tokens[0][0] != '$') { // parse atoms until we see another '$' section // e.g. 0.0000 0.000000 -0.73578 o if (tokens.size() < 4) { appendError("Not enough tokens in this line: " + buffer); return false; } unsigned char atomicNum(0); if (isalpha(tokens[3][0])) { tokens[3][0] = toupper(tokens[3][0]); atomicNum = Elements::atomicNumberFromSymbol(tokens[3]); } else atomicNum = static_cast( lexicalCast(tokens[3]).value_or(0)); Vector3 pos; if (auto tmp = lexicalCast(tokens.begin(), tokens.begin() + 3)) { pos << tmp->at(0), tmp->at(1), tmp->at(2); } else { appendError("Failed to parse this line following $coord: " + buffer); return false; } Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(pos * coordConversion); // next line getline(inStream, buffer); tokens = split(rstrip(buffer, '#'), ' '); } } else if (tokens[0] == "$cell") { if (hasLattice) { appendError("Both of $cell and $lattice are specified"); return false; } hasCell = true; Real cellConversion = BOHR_TO_ANGSTROM; if (std::find(tokens.begin(), tokens.end(), "angs") != tokens.end()) cellConversion = 1.0; // leave as Angstrom getline(inStream, buffer); tokens = split(rstrip(buffer, '#'), ' '); const auto tokens_converted = lexicalCast(tokens.begin(), tokens.end()); if (!tokens_converted) { appendError("Failed to parse: " + buffer); return false; } const auto ntokens = tokens_converted->size(); auto set_cell_vars = [&](unsigned periodic) { if (periodic == 1) { a = tokens_converted->at(0) * cellConversion; } else if (periodic == 2) { a = tokens_converted->at(0) * cellConversion; b = tokens_converted->at(1) * cellConversion; gamma = tokens_converted->at(2) * DEG_TO_RAD; } else { a = tokens_converted->at(0) * cellConversion; b = tokens_converted->at(1) * cellConversion; c = tokens_converted->at(2) * cellConversion; alpha = tokens_converted->at(3) * DEG_TO_RAD; beta = tokens_converted->at(4) * DEG_TO_RAD; gamma = tokens_converted->at(5) * DEG_TO_RAD; } }; if (periodic_parsed) { // $periodic appeared if ((*periodic_parsed == 1 && ntokens == 1) || (*periodic_parsed == 2 && ntokens == 3) || (*periodic_parsed == 3 && ntokens == 6)) { set_cell_vars(*periodic_parsed); } else if (*periodic_parsed == 0) { hasCell = false; std::cerr << "Ignore $cell since '$periodic 0' (non periodic) " "is specified\n"; } else { appendError("Not enough or extra tokens in this line: " + buffer); return false; } } else { // $periodic does not appear yet, so guess it from the number of the // elements if (ntokens == 1) { periodic_guessed = 1; } else if (ntokens == 3) { periodic_guessed = 2; } else if (ntokens == 6) { periodic_guessed = 3; } else { appendError("Cannot determine dimensionality from $cell: " + buffer); return false; } set_cell_vars(*periodic_guessed); } } else if (tokens[0] == "$lattice") { if (hasCell) { appendError("Both of $cell and $lattice are specified"); return false; } hasLattice = true; Real latticeConversion = BOHR_TO_ANGSTROM; // default if (std::find(tokens.begin(), tokens.end(), "angs") != tokens.end()) latticeConversion = 1.0; // leave as Angstrom if (periodic_parsed) { // $periodic appeared if (*periodic_parsed == 0) { hasLattice = false; std::cerr << "Ignore $lattice since '$periodic 0' (non periodic) " "is specified\n"; } for (unsigned line = 0; line < *periodic_parsed; ++line) { getline(inStream, buffer); tokens = split(rstrip(buffer, '#'), ' '); const auto tmp = lexicalCast(tokens.begin(), tokens.end()); if (!tmp) { appendError("Failed to parse this line following $lattice: " + buffer); return false; } if (tmp->size() != *periodic_parsed) { appendError( "Not enough or extra tokens in this line following $lattice: " + buffer); return false; } if (line == 0) { v1.x() = tmp->at(0) * latticeConversion; v1.y() = *periodic_parsed == 1 ? 0.0 : tmp->at(1) * latticeConversion; v1.z() = *periodic_parsed < 3 ? 0.0 : tmp->at(2) * latticeConversion; } else if (line == 1) { v2.x() = tmp->at(0) * latticeConversion; v2.y() = tmp->at(1) * latticeConversion; v2.z() = *periodic_parsed < 3 ? 0.0 : tmp->at(2) * latticeConversion; } else if (line == 2) { v3.x() = tmp->at(0) * latticeConversion; v3.y() = tmp->at(1) * latticeConversion; v3.z() = tmp->at(2) * latticeConversion; } } } else { // $periodic does not appear yet, so guess dimensionality from line(s) // following $lattice for (unsigned line = 0; line < 3; ++line) { getline(inStream, buffer); tokens = split(rstrip(buffer, '#'), ' '); const auto tmp = lexicalCast(tokens.begin(), tokens.end()); if (!tmp) { appendError("Failed to parse: " + buffer); return false; } const auto n = tmp->size(); if (line == 0) { if (n == 0u || n > 3u) { appendError("Could not determine dimensionality from lines " "following $lattice:\n" + buffer); return false; } periodic_guessed = n; } else if (*periodic_guessed != n) { appendError("The previous and current lines respectively have " + std::to_string(*periodic_guessed) + " and " + std::to_string(n) + " element(s)\n" + buffer); return false; } if (line == 0) { v1.x() = tmp->at(0) * latticeConversion; if (n < 2) break; v1.y() = tmp->at(1) * latticeConversion; v1.z() = n != 3 ? 0.0 : tmp->at(2) * latticeConversion; } else if (line == 1) { v2.x() = tmp->at(0) * latticeConversion; v2.y() = tmp->at(1) * latticeConversion; if (n < 3) break; v2.z() = tmp->at(2) * latticeConversion; } else if (line == 2) { v3.x() = tmp->at(0) * latticeConversion; v3.y() = tmp->at(1) * latticeConversion; v3.z() = tmp->at(2) * latticeConversion; } } } } else if (tokens[0][0] != '#') { std::cerr << "Ignore unknown token: " << buffer << '\n'; } getline(inStream, buffer); } // done reading the file if (periodic_parsed && *periodic_parsed > 0 && (!hasLattice && !hasCell)) { appendError("$periodic specifies " + std::to_string(*periodic_parsed) + " but neither $cell nor $lattice appears"); return false; } if (periodic_parsed && periodic_guessed && *periodic_parsed != *periodic_guessed) { appendError("Dimensionality guessed from $lattice/$cell is " + std::to_string(*periodic_guessed) + " but $periodic specifies " + std::to_string(*periodic_parsed)); return false; } Core::UnitCell* cell = nullptr; std::string tmp; if (hasLattice) { cell = new Core::UnitCell(v1, v2, v3); tmp = "$lattice"; } else if (hasCell) { cell = new Core::UnitCell(a, b, c, alpha, beta, gamma); tmp = "$cell"; } if (cell) { if (!cell->isRegular()) { appendError(tmp + " does not give linear independent lattice vectors"); delete cell; return false; } mol.setUnitCell(cell); } // if we have fractional coordinates, we need to convert them to cartesian if (fractionalCoords) { auto* cell = mol.unitCell(); for (Index i = 0; i < mol.atomCount(); ++i) { mol.setAtomPosition3d(i, cell->toCartesian(mol.atomPosition3d(i))); } } // This format has no connectivity information, so perceive basics at least. if (opts.value("perceiveBonds", true)) { mol.perceiveBondsSimple(); mol.perceiveBondOrders(); } return true; } bool TurbomoleFormat::write(std::ostream& outStream, const Core::Molecule& mol) { // Filter out translational duplicates if there's a unit cell Array uniqueIndices = SpaceGroups::translationalUniqueAtoms(mol); if (uniqueIndices.empty()) { // No unit cell or no filtering needed - use all atoms for (Index i = 0; i < mol.atomCount(); ++i) uniqueIndices.push_back(i); } // convert to Bohr because some programs can't handle Angstrom outStream << "$coord\n"; // print $isosub only when an isotope exists std::ostringstream isosub; Index outputIdx = 0; for (Index atomIdx : uniqueIndices) { Atom atom = mol.atom(atomIdx); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } std::string symbol = Elements::symbol(atom.atomicNumber()); symbol[0] = tolower(symbol[0]); Vector3 position = atom.position3d() * ANGSTROM_TO_BOHR; outStream << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << position.x() << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << position.y() << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << position.z() << " " << std::setw(5) << std::right << symbol << "\n"; auto iso = mol.isotope(atomIdx); if (iso > 0) isosub << (outputIdx + 1) << " " << iso << '\n'; ++outputIdx; } if (auto s = isosub.str(); !s.empty()) { outStream << "$isosub\n" << s; } if (mol.unitCell()) { outStream << "$periodic 3\n"; outStream << "$lattice angs\n"; outStream << mol.unitCell()->aVector().x() << ' '; outStream << mol.unitCell()->aVector().y() << ' '; outStream << mol.unitCell()->aVector().z() << '\n'; outStream << mol.unitCell()->bVector().x() << ' '; outStream << mol.unitCell()->bVector().y() << ' '; outStream << mol.unitCell()->bVector().z() << '\n'; outStream << mol.unitCell()->cVector().x() << ' '; outStream << mol.unitCell()->cVector().y() << ' '; outStream << mol.unitCell()->cVector().z() << '\n'; } outStream << "$end\n"; return true; } std::vector TurbomoleFormat::fileExtensions() const { std::vector ext; ext.emplace_back("coord"); ext.emplace_back("tmol"); return ext; } std::vector TurbomoleFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-turbomole"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/turbomoleformat.h000066400000000000000000000033711516317240700253010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_TURBOMOLEFORMAT_H #define AVOGADRO_IO_TURBOMOLEFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class TurbomoleFormat turbomoleformat.h * @brief Implementation of the Turbomole coord format. * @author Geoffrey Hutchison */ class AVOGADROIO_EXPORT TurbomoleFormat : public FileFormat { public: TurbomoleFormat() = default; ~TurbomoleFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new TurbomoleFormat; } std::string identifier() const override { return "Avogadro: Turbomole Coord"; } std::string name() const override { return "Turbomole"; } std::string description() const override { return "Generic format that tabulates atomic symbols and 3D positions."; } std::string specificationUrl() const override { return "https://xtb-docs.readthedocs.io/en/latest/" "geometry.html#turbomole-coordinate-input"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_TURBOMOLEFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/vaspformat.cpp000066400000000000000000000446511516317240700246030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vaspformat.h" #include // for atomicNumberFromSymbol() #include // for matrix3 #include #include // for translationalUniqueAtoms() #include #include // for split(), trimmed(), lexicalCast() #include // for Vector3 #include // for std::count() #include #include namespace Avogadro::Io { using std::getline; using std::map; using std::string; using Core::Array; using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::Molecule; using Core::SpaceGroups; using Core::split; using Core::trimmed; using Core::UnitCell; bool PoscarFormat::read(std::istream& inStream, Core::Molecule& mol) { size_t numLines = std::count(std::istreambuf_iterator(inStream), std::istreambuf_iterator(), '\n'); // There must be at least 7 "\n"'s to have a minimum crystal (including 1 // atom) if (numLines < 7) { appendError("Error: POSCAR file is 7 or fewer lines long"); return false; } // We have to go back to the beginning if we are going to read again inStream.clear(); inStream.seekg(0, std::ios::beg); // We'll use these throughout bool ok; string line; std::vector stringSplit; // First line is comment line getline(inStream, line); line = trimmed(line); string title = " "; if (!line.empty()) title = line; // Next line is scaling factor getline(inStream, line); const auto scalingFactor = lexicalCast(line); if (!scalingFactor) { appendError("Error: Could not convert scaling factor to double in POSCAR"); return false; } Matrix3 cellMat; // Next comes the matrix for (size_t i = 0; i < 3; ++i) { getline(inStream, line); stringSplit = split(line, ' '); // If this is not three, then there is some kind of error in the line if (stringSplit.size() != 3) { appendError("Error reading lattice vectors in POSCAR"); return false; } // UnitCell expects a matrix of this form if (auto tmp = lexicalCast(stringSplit.begin(), stringSplit.end())) { cellMat(0, i) = tmp->at(0) * *scalingFactor; cellMat(1, i) = tmp->at(1) * *scalingFactor; cellMat(2, i) = tmp->at(2) * *scalingFactor; } else { appendError("Error reading a lattice vector"); return false; } } // Sometimes, atomic symbols go here. getline(inStream, line); stringSplit = split(line, ' '); if (stringSplit.empty()) { appendError("Error reading numbers of atom types in POSCAR"); return false; } // Try a lexical cast here. If it fails, assume we have an atomic symbols list lexicalCast(trimmed(stringSplit.at(0)), ok); std::vector symbolsList; std::vector atomicNumbers; if (!ok) { // Assume atomic symbols are here and store them symbolsList = split(line, ' '); // Store atomic nums (trim to handle Windows CRLF line endings) for (auto& i : symbolsList) atomicNumbers.push_back(Elements::atomicNumberFromSymbol(trimmed(i))); // This next one should be atom types getline(inStream, line); } // If the atomic symbols aren't here, try to find them in the title // In Vasp 4.x, symbols are in the title like so: " O4H2 " else { stringSplit = split(title, ' '); if (stringSplit.size() != 0) { string trimmedFormula = trimmed(stringSplit.at(0)); // Let's replace all numbers with spaces for (char& i : trimmedFormula) { if (isdigit(i)) i = ' '; } // Now get the symbols with a simple space split symbolsList = split(trimmedFormula, ' '); for (auto& i : symbolsList) atomicNumbers.push_back(Elements::atomicNumberFromSymbol(i)); } } stringSplit = split(line, ' '); std::vector atomCounts; if (auto tmp = lexicalCast(stringSplit.begin(), stringSplit.end())) { atomCounts = std::move(*tmp); } else { appendError("Error reading numbers of atoms: " + line); return false; } // If we never filled up the atomic numbers, fill them up // now with "1, 2, 3…" if (atomicNumbers.size() == 0) for (size_t i = 1; i <= atomCounts.size(); ++i) atomicNumbers.push_back(i); if (atomicNumbers.size() != atomCounts.size()) { appendError("Error: numSymbols and numTypes are not equal in POSCAR!"); return false; } // Starts with either [Ss]elective dynamics, [KkCc]artesian, or // other for fractional coords. getline(inStream, line); line = trimmed(line); // If selective dynamics, get the next line if (line.empty() || line.at(0) == 'S' || line.at(0) == 's') getline(inStream, line); line = trimmed(line); if (line.empty()) { appendError("Error determining Direct or Cartesian in POSCAR"); return false; } bool cart; // Check if we're using cartesian or fractional coordinates: if (line.at(0) == 'K' || line.at(0) == 'k' || line.at(0) == 'C' || line.at(0) == 'c') { cart = true; } // Assume direct if one of these was not found else { cart = false; } std::vector atoms; for (unsigned int atomCount : atomCounts) { for (size_t j = 0; j < atomCount; ++j) { getline(inStream, line); stringSplit = split(line, ' '); // This may be greater than 3 with selective dynamics if (stringSplit.size() < 3) { appendError("Error reading atomic coordinates in POSCAR"); return false; } if (auto tmp = lexicalCast(stringSplit.begin(), stringSplit.begin() + 3)) { atoms.emplace_back(tmp->at(0), tmp->at(1), tmp->at(2)); } else { appendError("Error reading atomic coordinates in POSCAR"); return false; } } } // Let's make a unit cell auto* cell = new UnitCell(cellMat); if (!cell->isRegular()) { appendError("cell vectors are not linear independent"); delete cell; return false; } // If our atomic coordinates are fractional, convert them to Cartesian if (!cart) { for (auto& atom : atoms) atom = cell->toCartesian(atom); } // If they're cartesian, we just need to apply the scaling factor else { for (auto& atom : atoms) atom *= *scalingFactor; } // If we made it this far, the read was a success! // Delete the current molecule. Add the new title and unit cell mol.clearAtoms(); mol.setData("name", title); mol.setUnitCell(cell); // Now add the atoms size_t k = 0; for (size_t i = 0; i < atomCounts.size(); ++i) { unsigned char atomicNum = atomicNumbers.at(i); for (size_t j = 0; j < atomCounts.at(i); ++j) { Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(atoms.at(k)); ++k; } } return true; } bool PoscarFormat::write(std::ostream& outStream, const Core::Molecule& mol) { // Title if (mol.data("name").toString().length()) outStream << mol.data("name").toString() << std::endl; else outStream << "POSCAR" << std::endl; // Scaling factor outStream << " 1.00000000" << std::endl; // 3x3 matrix. Transpose is needed to orient the matrix correctly. const Matrix3& mat = mol.unitCell()->cellMatrix().transpose(); for (size_t i = 0; i < 3; ++i) { for (size_t j = 0; j < 3; ++j) { outStream << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << mat(i, j); } outStream << std::endl; } // Filter out translational duplicates (atoms at ~1.0 that duplicate ~0.0) Array uniqueIndices = SpaceGroups::translationalUniqueAtoms(mol); // Build composition from filtered atoms only std::map composition; for (Index idx : uniqueIndices) { composition[mol.atomicNumber(idx)]++; } // Atom symbols auto iter = composition.begin(); while (iter != composition.end()) { outStream << " " << Elements::symbol(iter->first); ++iter; } outStream << std::endl; // Numbers of each type iter = composition.begin(); while (iter != composition.end()) { outStream << " " << iter->second; ++iter; } outStream << std::endl; // Direct or cartesian? outStream << "Direct" << std::endl; // Final section is atomic coordinates // We need to make sure we group the atomic numbers together. // The outer loop is for grouping them. iter = composition.begin(); while (iter != composition.end()) { unsigned char currentAtomicNum = iter->first; for (Index idx : uniqueIndices) { // We need to group atomic numbers together. If this one is not // the current atomic number, skip over it. if (mol.atomicNumber(idx) != currentAtomicNum) continue; Atom atom = mol.atom(idx); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } Vector3 fracCoords = mol.unitCell()->toFractional(atom.position3d()); outStream << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << fracCoords.x() << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << fracCoords.y() << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << fracCoords.z() << "\n"; } ++iter; } return true; } std::vector PoscarFormat::fileExtensions() const { std::vector ext; ext.emplace_back("POSCAR"); ext.emplace_back("CONTCAR"); ext.emplace_back("vasp"); return ext; } std::vector PoscarFormat::mimeTypes() const { std::vector mime; mime.emplace_back("N/A"); return mime; } bool OutcarFormat::read(std::istream& inStream, Core::Molecule& mol) { std::string buffer, dashedStr, positionStr, latticeStr, directLatticeStr; positionStr = " POSITION"; latticeStr = " Lattice vectors:"; directLatticeStr = " direct lattice vectors"; // VASP 6.x format dashedStr = " -----------"; std::string vrhfinStr = " VRHFIN ="; std::string ionsPerTypeStr = " ions per type ="; std::vector stringSplit; int coordSet = 0, natoms = 0; Array positions; Vector3 ax1, ax2, ax3; bool ax1Set = false, ax2Set = false, ax3Set = false; // Element type information parsed from VRHFIN and "ions per type" lines std::vector elementTypes; // atomic numbers from VRHFIN std::vector atomCounts; // counts from "ions per type" typedef map AtomTypeMap; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; while (getline(inStream, buffer)) { // Parse VRHFIN lines to get element symbols (e.g., " VRHFIN =C: s2p2") if (buffer.substr(0, vrhfinStr.size()) == vrhfinStr) { // Extract element symbol between '=' and ':' size_t startPos = buffer.find('='); size_t endPos = buffer.find(':'); if (startPos != std::string::npos && endPos != std::string::npos && endPos > startPos + 1) { std::string symbol = trimmed(buffer.substr(startPos + 1, endPos - startPos - 1)); unsigned char atomicNum = Elements::atomicNumberFromSymbol(symbol); if (atomicNum != Avogadro::InvalidElement) { elementTypes.push_back(atomicNum); } } } // Parse "ions per type" line to get atom counts (e.g., " ions per type = // 48 24 26 8") else if (buffer.substr(0, ionsPerTypeStr.size()) == ionsPerTypeStr) { std::string countsStr = buffer.substr(ionsPerTypeStr.size()); stringSplit = split(countsStr, ' '); for (const auto& countStr : stringSplit) { if (auto count = lexicalCast(countStr)) { atomCounts.push_back(*count); } } } // Checks whether the buffer object contains the lattice vectors keyword else if (buffer.substr(0, latticeStr.size()) == latticeStr) { // Checks whether lattice vectors have been already set. Reason being that // only the first occurrence denotes the true lattice vectors, and the // ones following these are vectors of the primitive cell. if (!(ax1Set && ax2Set && ax3Set)) { getline(inStream, buffer); for (int i = 0; i < 3; ++i) { getline(inStream, buffer); stringSplit = split(buffer, ' '); auto x = lexicalCast( stringSplit.at(3).substr(0, stringSplit.at(3).size() - 1)); auto y = lexicalCast( stringSplit.at(4).substr(0, stringSplit.at(4).size() - 1)); auto z = lexicalCast( stringSplit.at(5).substr(0, stringSplit.at(5).size() - 1)); if (!x || !y || !z) { appendError("Error reading a lattice vector"); return false; } Vector3 tmp(*x, *y, *z); if (stringSplit[0] == "A1") { ax1 = std::move(tmp); ax1Set = true; } else if (stringSplit[0] == "A2") { ax2 = std::move(tmp); ax2Set = true; } else if (stringSplit[0] == "A3") { ax3 = std::move(tmp); ax3Set = true; } } // Checks whether all the three axis vectors have been read if (ax1Set && ax2Set && ax3Set) { auto* cell = new UnitCell(ax1, ax2, ax3); if (!cell->isRegular()) { appendError("cell vectors are not linear independent"); return false; } mol.setUnitCell(cell); } } } // VASP 6.x format: " direct lattice vectors" with fixed-width columns else if (buffer.substr(0, directLatticeStr.size()) == directLatticeStr) { if (!(ax1Set && ax2Set && ax3Set)) { // Read 3 lines of lattice vectors (fixed-width: 13 chars per value, // starting at position 3) Vector3 axes[3]; bool parseOk = true; for (int i = 0; i < 3 && parseOk; ++i) { getline(inStream, buffer); if (buffer.size() >= 42) { // Need at least 3 + 13*3 = 42 characters auto x = lexicalCast(trimmed(buffer.substr(3, 13))); auto y = lexicalCast(trimmed(buffer.substr(16, 13))); auto z = lexicalCast(trimmed(buffer.substr(29, 13))); if (x && y && z) { axes[i] = Vector3(*x, *y, *z); } else { parseOk = false; } } else { parseOk = false; } } if (parseOk) { ax1 = axes[0]; ax1Set = true; ax2 = axes[1]; ax2Set = true; ax3 = axes[2]; ax3Set = true; auto* cell = new UnitCell(ax1, ax2, ax3); if (!cell->isRegular()) { appendError("cell vectors are not linear independent"); return false; } mol.setUnitCell(cell); } } } // Checks whether the buffer object contains the POSITION keyword else if (buffer.substr(0, positionStr.size()) == positionStr) { getline(inStream, buffer); // Double checks whether the succeeding line is a sequence of dashes if (buffer.substr(0, dashedStr.size()) == dashedStr) { // natoms is not known, so the loop proceeds till the bottom dashed line // is encountered while (true) { getline(inStream, buffer); // Condition for encountering dashed line if (buffer.substr(0, dashedStr.size()) == dashedStr) { if (coordSet == 0) { mol.setCoordinate3d(mol.atomPositions3d(), coordSet++); positions.reserve(natoms); } else { mol.setCoordinate3d(positions, coordSet++); positions.clear(); } break; } // Parsing the coordinates stringSplit = split(buffer, ' '); Vector3 tmpAtom; if (auto tmp = lexicalCast(stringSplit.begin(), stringSplit.begin() + 3)) { tmpAtom << tmp->at(0), tmp->at(1), tmp->at(2); } else { appendError("Error reading atom position"); return false; } if (coordSet == 0) { unsigned char atomicNum; // Check if we have valid element type information if (!elementTypes.empty() && elementTypes.size() == atomCounts.size()) { // Determine which element type this atom belongs to based on // cumulative counts unsigned int cumulative = 0; atomicNum = elementTypes.back(); // default to last element for (size_t i = 0; i < atomCounts.size(); ++i) { cumulative += atomCounts[i]; if (static_cast(natoms) < cumulative) { atomicNum = elementTypes[i]; break; } } } else { // Fall back to custom elements if element info not available AtomTypeMap::const_iterator it; atomTypes.insert( std::make_pair(std::to_string(natoms), customElementCounter++)); it = atomTypes.find(std::to_string(natoms)); atomicNum = it->second; } Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(tmpAtom); natoms++; } else { positions.push_back(tmpAtom); } } } } } // Set the custom element map if needed: if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto& atomType : atomTypes) { elementMap.insert( std::make_pair(atomType.second, "Atom " + atomType.first)); } mol.setCustomElementMap(elementMap); } return true; } bool OutcarFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector OutcarFormat::fileExtensions() const { std::vector ext; ext.emplace_back("OUTCAR"); return ext; } std::vector OutcarFormat::mimeTypes() const { std::vector mime; mime.emplace_back("N/A"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/vaspformat.h000066400000000000000000000051361516317240700242430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_VASPFORMAT_H #define AVOGADRO_IO_VASPFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class PoscarFormat vaspformat.h * @brief Implementation of the generic POSCAR format. * @author Patrick S. Avery */ class AVOGADROIO_EXPORT PoscarFormat : public FileFormat { public: PoscarFormat() = default; ~PoscarFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new PoscarFormat; } std::string identifier() const override { return "Avogadro: POSCAR"; } std::string name() const override { return "POSCAR"; } std::string description() const override { return "Format used by VASP that contains crystal cell and atom info."; } std::string specificationUrl() const override { return "https://www.vasp.at/wiki/POSCAR"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& mol) override; [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& mol) override; }; class AVOGADROIO_EXPORT OutcarFormat : public FileFormat { public: OutcarFormat() = default; ~OutcarFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new OutcarFormat; } std::string identifier() const override { return "Avogadro: OUTCAR"; } std::string name() const override { return "OUTCAR"; } std::string description() const override { return "Format used by VASP that contains trajectory output of a DFT/MD " "calculation."; } std::string specificationUrl() const override { return "https://www.vasp.at/wiki/OUTCAR"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& mol) override; // unimplemented [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& mol) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_VASPFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/io/xyzformat.cpp000066400000000000000000000320131516317240700244510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "xyzformat.h" #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using std::endl; using std::getline; using std::string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::split; using Core::trimmed; #ifndef _WIN32 using std::isalpha; #endif std::optional findEnergy(const std::string& buffer) { // Check for energy in the comment line // orca uses E -680.044112849966 (with spaces) // xtb uses energy: -680.044112849966 // Open Babel uses Energy: -680.044112849966 // crest uses Epot = -680.044112849966 std::size_t energyStart = buffer.find("energy:"); std::size_t offset = 7; if (energyStart == std::string::npos) { energyStart = buffer.find("Energy:"); } if (energyStart == std::string::npos) { energyStart = buffer.find(" E "); offset = 3; } if (energyStart == std::string::npos) { energyStart = buffer.find("Epot = "); offset = 6; } if (energyStart != std::string::npos) { // pick the next token std::string energy = buffer.substr(energyStart + offset); return lexicalCast(energy); } // also check if the comment just starts with a number // try to split out the first token and look for a number std::vector tokens(split(buffer, ' ')); if (!tokens.empty()) { return lexicalCast(tokens[0]); } return std::nullopt; } bool XyzFormat::read(std::istream& inStream, Core::Molecule& mol) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); size_t numAtoms = 0; if (!(inStream >> numAtoms)) { appendError("Error parsing number of atoms."); return false; } string buffer; getline(inStream, buffer); // Finish the first line if (!inStream.good()) { appendError("Error reading first line."); return false; } getline(inStream, buffer); // comment or name or energy if (!buffer.empty()) mol.setData("name", trimmed(buffer)); std::vector energies; if (auto energy = findEnergy(buffer)) { mol.setData("totalEnergy", *energy); energies.push_back(*energy); } // check for Lattice= in an extended XYZ from ASE and company // e.g. Lattice="H11 H21 H31 H12 H22 H32 H13 H23 H33" // https://atomsk.univ-lille.fr/doc/en/format_xyz.html // https://gitlab.com/ase/ase/-/merge_requests/62 std::size_t start = buffer.find("Lattice="); if (start != std::string::npos) { // step through bit by bit until we hit the next quote character start = start + 8; // skip over the first quote if (buffer[start] == '\"') { start++; } std::size_t end = buffer.find('\"', start); std::string lattice = buffer.substr(start, (end - start)); std::vector tokens(split(lattice, ' ')); // check for size std::cout << "Lattice size: " << tokens.size() << std::endl; if (tokens.size() >= 9) { if (auto tmp = lexicalCast(tokens.begin(), tokens.begin() + 9)) { Vector3 v1(tmp->at(0), tmp->at(1), tmp->at(2)); Vector3 v2(tmp->at(3), tmp->at(4), tmp->at(5)); Vector3 v3(tmp->at(6), tmp->at(7), tmp->at(8)); auto* cell = new Core::UnitCell(v1, v2, v3); std::cout << " Lattice: " << cell->aVector() << " " << cell->bVector() << " " << cell->cVector() << std::endl; if (!cell->isRegular()) { appendError("Lattice vectors are not linear independent"); delete cell; } else { mol.setUnitCell(cell); } } else { appendError("Lattice vectors are malformed"); } } } // check to see if there's an extended XYZ Properties= line // e.g. Properties=species:S:1:pos:R:3 // https://gitlab.com/ase/ase/-/merge_requests/62 start = buffer.find("Properties="); unsigned int chargeColumn = 0; unsigned int forceColumn = 0; std::vector charges; if (start != std::string::npos) { start = start + 11; // skip over "Properties=" unsigned int stop = buffer.find(' ', start); unsigned int length = stop - start; // we want to track columns after the position // (esp. charge, spin, force, velocity, etc.) std::string properties = buffer.substr(start, length); std::vector tokens(split(properties, ':')); unsigned int column = 0; for (size_t i = 0; i < tokens.size(); i += 3) { // we can safely assume species and pos are present if (tokens[i] == "charge") { chargeColumn = column; } else if (tokens[i] == "force" || tokens[i] == "forces") { forceColumn = column; } // TODO other properties (velocity, spin, selection, etc.) // increment column based on the count of the property if (i + 2 < tokens.size()) { if (auto c = lexicalCast(tokens[i + 2])) { column += *c; } else { appendError("Error reading property column: " + tokens[i + 2]); } } } } if (!inStream.good()) { appendError("Error reading comment line."); return false; } // Parse atoms for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); if (buffer.empty()) { appendError("Error reading atom at index " + std::to_string(i) + "."); return false; } std::vector tokens; // check for tabs PR#1512 if (buffer.find('\t') != std::string::npos) tokens = split(buffer, '\t'); else tokens = split(buffer, ' '); if (tokens.size() < 4) { appendError("Not enough tokens in this line: " + buffer); return false; } unsigned char atomicNum(0); if (isalpha(tokens[0][0])) { atomicNum = Elements::atomicNumberFromSymbol(tokens[0]); if (tokens[0] == "D") atomicNum = 1; else if (tokens[0] == "T") atomicNum = 1; } else atomicNum = static_cast( lexicalCast(tokens[0]).value_or(0)); Vector3 pos; if (auto tmp = lexicalCast(tokens.begin() + 1, tokens.begin() + 4)) { pos << tmp->at(0), tmp->at(1), tmp->at(2); } else { appendError("Error reading atom position"); return false; } Atom newAtom = mol.addAtom(atomicNum); if (atomicNum == 1 && tokens[0] == "D") newAtom.setIsotope(2); else if (atomicNum == 1 && tokens[0] == "T") newAtom.setIsotope(3); newAtom.setPosition3d(pos); // check for charge and force columns if (chargeColumn > 0 && chargeColumn < tokens.size()) { if (auto c = lexicalCast(tokens[chargeColumn])) { charges.push_back(*c); } else { appendError("Error reading charge"); } // we set the charges after all atoms are added } if (forceColumn > 0 && forceColumn < tokens.size()) { if (auto tmp = lexicalCast(tokens.begin() + forceColumn, tokens.begin() + forceColumn + 3)) { Vector3 force(tmp->at(0), tmp->at(1), tmp->at(2)); newAtom.setForceVector(force); } else { appendError("Error reading force"); } } } // Check that all atoms were handled. if (mol.atomCount() != numAtoms) { std::ostringstream errorStream; errorStream << "Error parsing atom at index " << mol.atomCount() << " (line " << 3 + mol.atomCount() << ").\n" << buffer; appendError(errorStream.str()); return false; } // Do we have an animation? // check if the next frame has the same number of atoms getline(inStream, buffer); // should be the number of atoms if (buffer.size() == 0 || buffer[0] == '>') { getline(inStream, buffer); // Orca 6 prints ">" separators } auto numAtoms2 = lexicalCast(buffer); if (numAtoms2 && *numAtoms2 > 0 && numAtoms == static_cast(*numAtoms2)) { getline(inStream, buffer); // comment line // check for properties in the comment line if (auto energy = findEnergy(buffer)) { energies.push_back(*energy); } mol.setCoordinate3d(mol.atomPositions3d(), 0); int coordSet = 1; bool done = false; while (numAtoms2 && *numAtoms2 > 0 && numAtoms == static_cast(*numAtoms2)) { Array positions; positions.reserve(numAtoms); for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); if (inStream.eof()) { numAtoms2 = 0; done = true; break; // break this inner loop } std::vector tokens(split(buffer, ' ')); if (tokens.size() < 4) { appendError("Not enough tokens in this line: " + buffer); return false; } if (auto tmp = lexicalCast(tokens.begin() + 1, tokens.begin() + 4)) { Vector3 pos(tmp->at(0), tmp->at(1), tmp->at(2)); positions.push_back(pos); } else { appendError("Error reading position"); return false; } } if (!done) mol.setCoordinate3d(positions, coordSet++); if (getline(inStream, buffer)) { if (inStream.eof()) { numAtoms2 = 0; break; // break this inner loop } if (buffer.size() == 0 || buffer[0] == '>') getline(inStream, buffer); // Orca 6 prints ">" separators if (inStream.eof()) { numAtoms2 = 0; break; // break this inner loop } numAtoms2 = lexicalCast(buffer); if (!numAtoms2 || *numAtoms2 <= 0 || numAtoms != static_cast(*numAtoms2)) break; } else { break; } std::getline(inStream, buffer); // Skip the blank // check for energies if (auto energy = findEnergy(buffer)) { energies.push_back(*energy); } positions.clear(); } } // This format has no connectivity information, so perceive basics at least. if (opts.value("perceiveBonds", true)) { mol.perceiveBondsSimple(); mol.perceiveBondOrders(); } // have to set the charges after creating bonds // (since modifying bonds invalidates the partial charges) if (!charges.empty()) { MatrixX chargesMatrix = MatrixX::Zero(mol.atomCount(), 1); for (size_t i = 0; i < charges.size(); ++i) { chargesMatrix(i, 0) = charges[i]; } mol.setPartialCharges("From File", chargesMatrix); } if (energies.size() > 1) mol.setData("energies", energies); return true; } bool XyzFormat::write(std::ostream& outStream, const Core::Molecule& mol) { size_t numAtoms = mol.atomCount(); outStream << numAtoms << std::endl; if (mol.unitCell()) { // default to including Lattice for extended XYZ if present // https://atomsk.univ-lille.fr/doc/en/format_xyz.html // https://gitlab.com/ase/ase/-/merge_requests/62 outStream << "Lattice=\""; outStream << mol.unitCell()->aVector().x() << ' '; outStream << mol.unitCell()->aVector().y() << ' '; outStream << mol.unitCell()->aVector().z() << ' '; outStream << mol.unitCell()->bVector().x() << ' '; outStream << mol.unitCell()->bVector().y() << ' '; outStream << mol.unitCell()->bVector().z() << ' '; outStream << mol.unitCell()->cVector().x() << ' '; outStream << mol.unitCell()->cVector().y() << ' '; outStream << mol.unitCell()->cVector().z(); outStream << "\" Properties=species:S:1:pos:R:3" << endl; } else { if (mol.data("name").toString().length()) outStream << mol.data("name").toString() << endl; else outStream << "XYZ file generated by Avogadro.\n"; } for (size_t i = 0; i < numAtoms; ++i) { Atom atom = mol.atom(i); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } outStream << std::setw(3) << std::left << Elements::symbol(atom.atomicNumber()) << " " << std::setw(15) << std::right << std::fixed << std::setprecision(10) << atom.position3d().x() << " " << std::setw(15) << std::right << std::fixed << std::setprecision(10) << atom.position3d().y() << " " << std::setw(15) << std::right << std::fixed << std::setprecision(10) << atom.position3d().z() << "\n"; } return true; } std::vector XyzFormat::fileExtensions() const { std::vector ext; ext.emplace_back("xyz"); ext.emplace_back("exyz"); ext.emplace_back("extxyz"); ext.emplace_back("allxyz"); return ext; } std::vector XyzFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-xyz"); return mime; } } // namespace Avogadro::Io OpenChemistry-avogadrolibs-ceb949f/avogadro/io/xyzformat.h000066400000000000000000000032411516317240700241170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_XYZFORMAT_H #define AVOGADRO_IO_XYZFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class XyzFormat xyzformat.h * @brief Implementation of the generic xyz format. * @author Allison Vacanti */ class AVOGADROIO_EXPORT XyzFormat : public FileFormat { public: XyzFormat() = default; ~XyzFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new XyzFormat; } std::string identifier() const override { return "Avogadro: XYZ"; } std::string name() const override { return "XYZ"; } std::string description() const override { return "Generic format that tabulates atomic symbols and 3D positions."; } std::string specificationUrl() const override { return "https://en.wikipedia.org/wiki/XYZ_file_format"; // "http://openbabel.org/wiki/XYZ"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; [[nodiscard]] bool read(std::istream& inStream, Core::Molecule& molecule) override; [[nodiscard]] bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_XYZFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/000077500000000000000000000000001516317240700232755ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/CMakeLists.txt000066400000000000000000000017241516317240700260410ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Widgets Network REQUIRED) endif() add_library(MoleQueue) avogadro_headers(MoleQueue batchjob.h inputgenerator.h inputgeneratordialog.h inputgeneratorwidget.h molequeuedialog.h molequeuemanager.h molequeuequeuelistmodel.h molequeuewidget.h ) target_sources(MoleQueue PRIVATE batchjob.cpp inputgenerator.cpp inputgeneratordialog.cpp inputgeneratorwidget.cpp molequeuedialog.cpp molequeuemanager.cpp molequeuequeuelistmodel.cpp molequeuewidget.cpp client/client.cpp client/jobobject.cpp client/jsonrpcclient.cpp ) set(UIS inputgeneratordialog.ui inputgeneratorwidget.ui molequeuedialog.ui molequeuewidget.ui ) qt_wrap_ui(UI_SOURCES ${UIS}) target_sources(MoleQueue PRIVATE ${UI_SOURCES}) avogadro_add_library(MoleQueue ${HEADERS} ${SOURCES}) set_target_properties(MoleQueue PROPERTIES AUTOMOC TRUE) target_link_libraries(MoleQueue PUBLIC Avogadro::QtGui Qt::Widgets Qt::Network) OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/batchjob.cpp000066400000000000000000000154031516317240700255600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "batchjob.h" #include "molequeuemanager.h" #include #include namespace Avogadro::MoleQueue { // initialize statics const BatchJob::BatchId BatchJob::InvalidBatchId = -1; const BatchJob::RequestId BatchJob::InvalidRequestId = -1; const BatchJob::ServerId BatchJob::InvalidServerId = std::numeric_limits::max(); BatchJob::BatchJob(QObject* par) : QObject(par) { setup(); } BatchJob::BatchJob(const QString& scriptFilePath, QObject* par) : QObject(par), m_inputGenerator(scriptFilePath) { setup(); } BatchJob::BatchId BatchJob::submitNextJob(const Core::Molecule& mol) { // Is everything configured? if (!m_inputGenerator.isValid() || m_inputGeneratorOptions.empty() || m_moleQueueOptions.empty()) { return InvalidBatchId; } // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) return InvalidBatchId; // Generate the input: if (!m_inputGenerator.generateInput(m_inputGeneratorOptions, mol)) { if (!m_inputGenerator.errorList().isEmpty()) { qWarning() << "BatchJob::submitNextJob() error:\n\t" << m_inputGenerator.errorList().join("\n\t"); } return InvalidBatchId; } // Warnings are non-fatal -- just print them for now: if (!m_inputGenerator.warningList().isEmpty()) { qWarning() << "BatchJob::submitNextJob() warning:\n\t" << m_inputGenerator.warningList().join("\n\t"); } BatchId bId = m_jobObjects.size(); // Create the job object: JobObject job; job.fromJson(m_moleQueueOptions); job.setDescription( tr("Batch Job #%L1 (%2)").arg(bId + 1).arg(job.description())); // Main input file: const QString mainFileName = m_inputGenerator.mainFileName(); job.setInputFile(mainFileName, m_inputGenerator.fileContents(mainFileName)); // Any additional input files: QStringList fileNames = m_inputGenerator.fileNames(); fileNames.removeOne(mainFileName); foreach (const QString& fn, fileNames) job.appendAdditionalInputFile(fn, m_inputGenerator.fileContents(fn)); // Submit the job RequestId rId = mqManager.client().submitJob(job); // Was submission successful? if (rId < 0) return InvalidBatchId; // Register the job and assign the ID. m_jobObjects.push_back(job); m_states.push_back(None); m_requests.insert(rId, Request(Request::SubmitJob, bId)); return bId; } bool BatchJob::lookupJob(BatchId bId) { ServerId sId = serverId(static_cast(bId)); if (sId == InvalidServerId) return false; // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) return false; Client& client = mqManager.client(); RequestId rId = client.lookupJob(sId); m_requests.insert(rId, Request(Request::LookupJob, bId)); return true; } void BatchJob::handleSubmissionReply(int rId, unsigned int sId) { Request req = m_requests.value(rId); if (req.isValid()) { m_requests.remove(rId); if (req.batchId >= m_jobObjects.size()) { qWarning() << "BatchJob::handleSubmissionReply(): batchID out of range."; return; } m_jobObjects[req.batchId].setValue("moleQueueId", QVariant(static_cast(sId))); m_serverIds.insert(sId, req.batchId); // Request full job details: lookupJob(req.batchId); } } void BatchJob::handleJobStateChange(unsigned int sId, const QString&, const QString&) { BatchId bId = m_serverIds.value(static_cast(sId), InvalidBatchId); if (bId == InvalidBatchId) return; // Update full job details: lookupJob(bId); } void BatchJob::handleLookupJobReply(int rId, const QJsonObject& jobInfo) { Request req = m_requests.value(rId); if (req.isValid()) { m_requests.remove(rId); if (req.batchId >= m_jobObjects.size()) { qWarning() << "BatchJob::handleSubmissionReply(): batchID out of range."; return; } JobObject& job(m_jobObjects[req.batchId]); job.fromJson(jobInfo); JobState oldState = m_states[req.batchId]; JobState newState = stringToState(job.value("jobState").toString()); m_states[req.batchId] = newState; emit jobUpdated(req.batchId, true); if (!isTerminal(oldState) && isTerminal(newState)) emit jobCompleted(req.batchId, newState); } } void BatchJob::handleErrorResponse(int requestId, int errorCode, const QString& errorMessage, const QJsonValue& errorData) { qDebug() << "Error rcv'd: {" << "requestId:" << requestId << "errorCode:" << errorCode << "errorMessage:" << errorMessage << "errorData:" << errorData << "}"; Request req = m_requests.value(requestId); if (!req.isValid()) return; m_requests.remove(requestId); if (req.batchId < m_jobObjects.size()) return; switch (req.type) { case Request::SubmitJob: // The job was rejected: qDebug() << "Batch job" << req.batchId << "was rejected by MoleQueue."; m_states[req.batchId] = Rejected; m_jobObjects[req.batchId].fromJson(QJsonObject()); break; case Request::LookupJob: qDebug() << "Batch job" << req.batchId << "failed to update."; emit jobUpdated(req.batchId, false); break; default: case Request::InvalidType: break; } } void BatchJob::setup() { static bool metaTypesRegistered = false; if (!metaTypesRegistered) { qRegisterMetaType("Avogadro::QtGui::BatchJob::BatchId"); qRegisterMetaType("BatchId"); qRegisterMetaType("Avogadro::QtGui::BatchJob::ServerId"); qRegisterMetaType("ServerId"); qRegisterMetaType("Avogadro::QtGui::BatchJob::RequestId"); qRegisterMetaType("RequestId"); metaTypesRegistered = true; } MoleQueueManager& mqManager = MoleQueueManager::instance(); Client& client = mqManager.client(); connect(&client, SIGNAL(submitJobResponse(int, uint)), SLOT(handleSubmissionReply(int, uint))); connect(&client, SIGNAL(lookupJobResponse(int, QJsonObject)), SLOT(handleLookupJobReply(int, QJsonObject))); connect(&client, SIGNAL(jobStateChanged(uint, QString, QString)), SLOT(handleJobStateChange(uint, QString, QString))); connect(&client, SIGNAL(errorReceived(int, int, QString, QJsonValue)), SLOT(handleErrorResponse(int, int, QString, QJsonValue))); } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/batchjob.h000066400000000000000000000237721516317240700252350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_BATCHJOB_H #define AVOGADRO_QTGUI_BATCHJOB_H #include #include "inputgenerator.h" #include #include "client/jobobject.h" #include #include #include namespace Avogadro { namespace Core { class Molecule; } // end namespace Core namespace MoleQueue { /** * @brief The BatchJob class manages a collection of jobs that are configured * using the same InputGenerator and MoleQueue options. For use with * InputGeneratorDialog::configureBatchJob(BatchJob&). */ class AVOGADROMOLEQUEUE_EXPORT BatchJob : public QObject { Q_OBJECT public: /** * Job status. Same as those defined in molequeueglobal.h. The 'Rejected' * state is added to identify jobs that rejected by molequeue prior to having * a MoleQueue id (ServerId) set. */ enum JobState { Rejected = -2, Unknown = -1, None = 0, Accepted, QueuedLocal, Submitted, QueuedRemote, RunningLocal, RunningRemote, Finished, Canceled, Error }; /** * Type used to identify a job within this batch. Unique to this object. */ using BatchId = int; static const BatchId InvalidBatchId; /** * Type used to identify requests sent to the MoleQueue server. */ using RequestId = int; static const RequestId InvalidRequestId; /** * Type used by MoleQueue to identify jobs. Unique across the connected * MoleQueue server. */ using ServerId = unsigned int; static const ServerId InvalidServerId; /** * Construct a new BatchJob object. If provided, ese scriptFilePath to setup * the input generator. */ explicit BatchJob(QObject* parent = nullptr); explicit BatchJob(const QString& scriptFilePath, QObject* parent = nullptr); ~BatchJob() override = default; /** * Options for the input generator. * @{ */ void setInputGeneratorOptions(const QJsonObject& opts); QJsonObject inputGeneratorOptions() const; /**@}*/ /** * Options for MoleQueue. * @{ */ void setMoleQueueOptions(const QJsonObject& opts); QJsonObject moleQueueOptions() const; JobObject moleQueueJobTemplate() const; /**@}*/ /** * The internal InputGenerator. * @{ */ const InputGenerator& inputGenerator() const; InputGenerator& inputGenerator(); /**@}*/ /** * A string that will be used in the MoleQueue interface to identify this * batch job. Taken from the InputGenerator configured title. */ QString description() const; /** * @return The state of the job with the batch id @a batchId. */ JobState jobState(BatchId batchId) const; /** * @return The server id of the job with the batch id @a batchId. */ ServerId serverId(BatchId batchId) const; /** * @return The most recent JobObject for the job with the batch id @a batchId. * These are updated for each change in job state. */ JobObject jobObject(BatchId batchId) const; /** * @return True if @a state corresponds to a job that is finished running. */ static bool isTerminal(JobState state); /** * @return True if there are still running jobs. */ bool hasUnfinishedJobs() const; /** * @return The number of jobs that are running. */ int unfinishedJobCount() const; /** * @return The number of completed jobs. */ int finishedJobCount() const; /** * @return The total number of jobs in the batch. */ int jobCount() const; public slots: /** * Submit a job using the current configuration for @a mol. * @return The BatchId of the job, or InvalidBatchId if there was an error. */ virtual BatchId submitNextJob(const Core::Molecule& mol); /** * Request updated job details from the MoleQueue server for the job with * the batch id @a batchId. * * jobUpdated is emitted when the request is complete. * * @return True if the request is sent. */ bool lookupJob(BatchId batchId); signals: /** * Emitted when the reply from lookupJob is received. @a success will be false * if MoleQueue sends an error response (likely because the job was removed * from the job manager). */ void jobUpdated(Avogadro::MoleQueue::BatchJob::BatchId batchId, bool success); /** * Emitted when the job associated with @a batchId completes. @a status * is the final state of the jobs and can be used to determine whether or not * the job finished successfully. */ void jobCompleted(Avogadro::MoleQueue::BatchJob::BatchId batchId, Avogadro::MoleQueue::BatchJob::JobState status); private slots: void handleSubmissionReply(int requestId, unsigned int serverId); void handleJobStateChange(unsigned int serverId, const QString& oldState, const QString& newState); void handleLookupJobReply(int requestId, const QJsonObject& jobInfo); void handleErrorResponse(int requestId, int errorCode, const QString& errorMessage, const QJsonValue& errorData); private: // structs /** * Internal struct for tracking request metadata. */ struct Request { enum Type { InvalidType, SubmitJob, LookupJob }; explicit Request(Type t = InvalidType, BatchId b = InvalidBatchId); bool isValid() const { return type != InvalidType; } Type type; BatchId batchId; }; private: // methods void setup(); static JobState stringToState(const QString& string); static QString stateToString(JobState state); private: // variables InputGenerator m_inputGenerator; QJsonObject m_inputGeneratorOptions; QJsonObject m_moleQueueOptions; /// Cached job states. QList m_jobObjects; /// Lookup batch ids from server ids. QMap m_serverIds; /// Job states. For fast lookups without string conversions. QVector m_states; /// Pending requests. QMap m_requests; }; inline BatchJob::Request::Request(Type t, BatchId b) : type(t), batchId(b) {} inline void BatchJob::setInputGeneratorOptions(const QJsonObject& opts) { m_inputGeneratorOptions = opts; } inline QJsonObject BatchJob::inputGeneratorOptions() const { return m_inputGeneratorOptions; } inline void BatchJob::setMoleQueueOptions(const QJsonObject& opts) { m_moleQueueOptions = opts; } inline QJsonObject BatchJob::moleQueueOptions() const { return m_moleQueueOptions; } inline JobObject BatchJob::moleQueueJobTemplate() const { JobObject result; result.fromJson(m_moleQueueOptions); return result; } inline const InputGenerator& BatchJob::inputGenerator() const { return m_inputGenerator; } inline InputGenerator& BatchJob::inputGenerator() { return m_inputGenerator; } inline QString BatchJob::description() const { return moleQueueJobTemplate().description(); } inline BatchJob::JobState BatchJob::jobState(BatchJob::BatchId id) const { return id < m_states.size() ? m_states[id] : Unknown; } inline BatchJob::ServerId BatchJob::serverId(BatchJob::BatchId id) const { return id < m_jobObjects.size() ? m_jobObjects[id] .value("moleQueueId", InvalidServerId) .value() : InvalidServerId; } inline JobObject BatchJob::jobObject(BatchJob::BatchId id) const { return id < m_jobObjects.size() ? m_jobObjects[id] : JobObject(); } inline bool BatchJob::isTerminal(BatchJob::JobState state) { switch (state) { case Rejected: case Finished: case Canceled: case Error: return true; default: return false; } } inline bool BatchJob::hasUnfinishedJobs() const { for (auto m_state : m_states) { if (!isTerminal(m_state)) return true; } return false; } inline int BatchJob::unfinishedJobCount() const { int result = 0; for (auto m_state : m_states) { if (!isTerminal(m_state)) ++result; } return result; } inline int BatchJob::finishedJobCount() const { int result = 0; for (auto m_state : m_states) { if (isTerminal(m_state)) ++result; } return result; } inline int BatchJob::jobCount() const { return m_serverIds.size(); } inline BatchJob::JobState BatchJob::stringToState(const QString& str) { if (str == QLatin1String("None")) return None; else if (str == QLatin1String("Rejected")) return Rejected; else if (str == QLatin1String("Accepted")) return Accepted; else if (str == QLatin1String("QueuedLocal")) return QueuedLocal; else if (str == QLatin1String("Submitted")) return Submitted; else if (str == QLatin1String("QueuedRemote")) return QueuedRemote; else if (str == QLatin1String("RunningLocal")) return RunningLocal; else if (str == QLatin1String("RunningRemote")) return RunningRemote; else if (str == QLatin1String("Finished")) return Finished; else if (str == QLatin1String("Canceled")) return Canceled; else if (str == QLatin1String("Error")) return Error; else return Unknown; } inline QString BatchJob::stateToString(BatchJob::JobState state) { switch (state) { case None: return QString("None"); case Accepted: return QString("Accepted"); case Rejected: return QString("Rejected"); case QueuedLocal: return QString("QueuedLocal"); case Submitted: return QString("Submitted"); case QueuedRemote: return QString("QueuedRemote"); case RunningLocal: return QString("RunningLocal"); case RunningRemote: return QString("RunningRemote"); case Finished: return QString("Finished"); case Canceled: return QString("Canceled"); case Error: return QString("Error"); default: case Unknown: return QString("Unknown"); } } } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_BATCHJOB_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/000077500000000000000000000000001516317240700245535ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/client.cpp000066400000000000000000000177631516317240700265530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "client.h" #include "jobobject.h" #include "jsonrpcclient.h" #include namespace Avogadro::MoleQueue { Client::Client(QObject* parent_) : QObject(parent_), m_jsonRpcClient(nullptr) {} Client::~Client() {} bool Client::isConnected() const { if (!m_jsonRpcClient) return false; else return m_jsonRpcClient->isConnected(); } bool Client::connectToServer(const QString& serverName) { if (!m_jsonRpcClient) { m_jsonRpcClient = new JsonRpcClient(this); connect(m_jsonRpcClient, SIGNAL(resultReceived(QJsonObject)), SLOT(processResult(QJsonObject))); connect(m_jsonRpcClient, SIGNAL(notificationReceived(QJsonObject)), SLOT(processNotification(QJsonObject))); connect(m_jsonRpcClient, SIGNAL(errorReceived(QJsonObject)), SLOT(processError(QJsonObject))); connect(m_jsonRpcClient, SIGNAL(connectionStateChanged()), SIGNAL(connectionStateChanged())); } return m_jsonRpcClient->connectToServer(serverName); } int Client::requestQueueList() { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("listQueues"); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = ListQueues; return localId; } int Client::submitJob(const JobObject& job) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("submitJob"); packet["params"] = job.json(); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = SubmitJob; return localId; } int Client::lookupJob(unsigned int moleQueueId) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("lookupJob"); QJsonObject params; params["moleQueueId"] = static_cast(moleQueueId); packet["params"] = params; if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = LookupJob; return localId; } int Client::cancelJob(unsigned int moleQueueId) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("cancelJob"); QJsonObject params; params["moleQueueId"] = static_cast(moleQueueId); packet["params"] = params; if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = CancelJob; return localId; } int Client::registerOpenWith(const QString& name, const QString& executable, const QList& filePatterns) { if (!m_jsonRpcClient) return -1; QJsonObject method; method["executable"] = executable; QJsonObject packet(buildRegisterOpenWithRequest(name, filePatterns, method)); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = RegisterOpenWith; return localId; } int Client::registerOpenWith(const QString& name, const QString& rpcServer, const QString& rpcMethod, const QList& filePatterns) { if (!m_jsonRpcClient) return -1; QJsonObject method; method["rpcServer"] = rpcServer; method["rpcMethod"] = rpcMethod; QJsonObject packet(buildRegisterOpenWithRequest(name, filePatterns, method)); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = RegisterOpenWith; return localId; } int Client::listOpenWithNames() { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("listOpenWithNames"); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = ListOpenWithNames; return localId; } int Client::unregisterOpenWith(const QString& handlerName) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("unregisterOpenWith"); QJsonObject params; params["name"] = handlerName; packet["params"] = params; if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = UnregisterOpenWith; return localId; } void Client::flush() { if (m_jsonRpcClient) m_jsonRpcClient->flush(); } void Client::processResult(const QJsonObject& response) { if (response["id"] != QJsonValue::Null && m_requests.contains(static_cast(response["id"].toDouble()))) { int localId = static_cast(response["id"].toDouble()); switch (m_requests[localId]) { case ListQueues: emit queueListReceived(response["result"].toObject()); break; case SubmitJob: emit submitJobResponse( localId, static_cast( response["result"].toObject()["moleQueueId"].toDouble())); break; case LookupJob: emit lookupJobResponse(localId, response["result"].toObject()); break; case CancelJob: emit cancelJobResponse(static_cast( response["result"].toObject()["moleQueueId"].toDouble())); break; case RegisterOpenWith: emit registerOpenWithResponse(localId); break; case ListOpenWithNames: emit listOpenWithNamesResponse(localId, response["result"].toArray()); break; case UnregisterOpenWith: emit unregisterOpenWithResponse(localId); break; default: break; } } } void Client::processNotification(const QJsonObject& notification) { if (notification["method"].toString() == "jobStateChanged") { QJsonObject params = notification["params"].toObject(); emit jobStateChanged( static_cast(params["moleQueueId"].toDouble()), params["oldState"].toString(), params["newState"].toString()); } } void Client::processError(const QJsonObject& error) { int localId = static_cast(error["id"].toDouble()); int errorCode = -1; QString errorMessage = tr("No message specified."); QJsonValue errorData; const QJsonValue& errorValue = error.value(QLatin1String("error")); if (errorValue.isObject()) { const QJsonObject errorObject = errorValue.toObject(); if (errorObject.value("code").isDouble()) errorCode = static_cast(errorObject.value("code").toDouble()); if (errorObject.value("message").isString()) errorMessage = errorObject.value("message").toString(); if (errorObject.contains("data")) errorData = errorObject.value("data"); } emit errorReceived(localId, errorCode, errorMessage, errorData); } QJsonObject Client::buildRegisterOpenWithRequest( const QString& name, const QList& filePatterns, const QJsonObject& handlerMethod) { QJsonArray patterns; foreach (const QRegularExpression& regex, filePatterns) { QJsonObject pattern; pattern["regex"] = regex.pattern(); pattern["caseSensitive"] = regex.patternOptions().testFlag( QRegularExpression::CaseInsensitiveOption); patterns.append(pattern); } QJsonObject params; params["name"] = name; params["method"] = handlerMethod; params["patterns"] = patterns; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("registerOpenWith"); packet["params"] = params; return packet; } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/client.h000066400000000000000000000174431516317240700262130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_CLIENT_H #define AVOGADRO_MOLEQUEUE_CLIENT_H #include "avogadromolequeueexport.h" #include #include #include #include #include namespace Avogadro { namespace MoleQueue { class JsonRpcClient; class JobObject; /** * @class Client client.h * @brief The Client class is used by clients to submit jobs to a running * MoleQueue server. * @author Marcus D. Hanwell * * Provides a simple Qt C++ API to use the MoleQueue JSON-RPC calls to submit * and query the state of submitted jobs. */ class AVOGADROMOLEQUEUE_EXPORT Client : public QObject { Q_OBJECT public: explicit Client(QObject* parent_ = nullptr); ~Client() override; /** * Query if the client is connected to a server. * @return True if connected, false if not. */ bool isConnected() const; public slots: /** * Connect to the server. * @param serverName Name of the socket to connect to, the default of * "MoleQueue" is usually correct when connecting to the running MoleQueue. */ bool connectToServer(const QString& serverName = "MoleQueue"); /** * Request the list of queues and programs from the server. The signal * queueListReceived() will be emitted once this has been received. * @return The local ID of the job submission request. */ int requestQueueList(); /** * Submit a job to MoleQueue. If the returned local ID is retained the signal * for a job submission will provide the MoleQueue ID along with the local ID. * @param job The job specification to be submitted to MoleQueue. * @return The local ID of the job submission request. */ int submitJob(const JobObject& job); /** * Request information about a job. You should supply the MoleQueue ID that * was received in response to a job submission. * @param moleQueueId The MoleQueue ID for the job. * @return The local ID of the job submission request. */ int lookupJob(unsigned int moleQueueId); /** * Cancel a job that was submitted. * @param moleQueueId The MoleQueue ID for the job. * @return The local ID of the job submission request. */ int cancelJob(unsigned int moleQueueId); /** * Register an executable file handler with MoleQueue. * @param name GUI name of the file handler. * @param executable Executable to call with the filename as the first * argument. If the full path to the exectuble is not specified, it must be * in the user's $PATH. * @param filePatterns A list of QRegularExpression objects that the handler * can open. The QRegularExpression objects may only use the new * QRegularExpression pattern syntax. * @return The local ID of the request. * @note The executable is expected to use the following calling convention * to open files: ~~~ executable /absolute/path/to/selected/fileName ~~~ */ int registerOpenWith(const QString& name, const QString& executable, const QList& filePatterns); /** * Register a JSON-RPC 2.0 local socket file handler with MoleQueue. * @param name GUI name of the file handler. * @param rpcServer Name of the local socket that the server is listening on. * @param rpcMethod JSON-RPC 2.0 request method to use. * @param filePatterns A list of QRegularExpression objects that the handler * can open. The QRegularExpression objects may only use the new * QRegularExpression pattern syntax. * @return The local ID of the request. * @note The following JSON-RPC 2.0 request is sent to the server when the * handler is activated: ~~~ { "jsonrpc": "2.0", "method": "", "params": { "fileName": "/absolute/path/to/selected/fileName" } }, "id": "XXX" } ~~~ * where is replaced by the @a rpcMethod argument. */ int registerOpenWith(const QString& name, const QString& rpcServer, const QString& rpcMethod, const QList& filePatterns); /** * @brief Request a list of all file handler names. * @return The local ID of the request. */ int listOpenWithNames(); /** * @brief Unregister the indicated file handler from the molequeue server. * @param handlerName Name of the file handler to remove. * @return The local ID of the request. * @sa listOpenWithNames */ int unregisterOpenWith(const QString& handlerName); /** * @brief flush Flush all pending messages to the server. * @warning This should not need to be called if used in an event loop, as Qt * will start writing to the socket as soon as control returns to the event * loop. */ void flush(); signals: /** * Emitted when the connection state changes. */ void connectionStateChanged(); /** * Emitted when the remote queue list is received. This gives a list of lists, * the primary key is the queue name, and that contains a list of available * programs for each queue. * @param queues A JSON object containing the names of the queues and the * programs each queue have available. */ void queueListReceived(QJsonObject queues); /** * Emitted when the job request response is received. * @param localId The local ID the job submission response is in reply to. * @param moleQueueId The remote MoleQueue ID for the job submission (can be * used to perform further actions on the job). */ void submitJobResponse(int localId, unsigned int moleQueueId); /** * Emitted when a job lookup response is received. * @param localId The local ID the job submission response is in reply to. * @param jobInfo A Json object containing all available job information. */ void lookupJobResponse(int localId, QJsonObject jobInfo); /** * Emitted when a job is successfully cancelled. */ void cancelJobResponse(unsigned int moleQueueId); /** * Emitted when the job state changes. */ void jobStateChanged(unsigned int moleQueueId, QString oldState, QString newState); /** * Emitted when a successful registerOpenWith response is received. */ void registerOpenWithResponse(int localId); /** * Emitted when a successful listOpenWithNames response is received. */ void listOpenWithNamesResponse(int localId, QJsonArray handlerNames); /** * Emitted when a successful unregisterOpenWith response is received. */ void unregisterOpenWithResponse(int localId); /** * Emitted when an error response is received. */ void errorReceived(int localId, int errorCode, QString errorMessage, QJsonValue errorData); protected slots: /** Parse the response object and emit the appropriate signal(s). */ void processResult(const QJsonObject& response); /** Parse a notification object and emit the appropriate signal(s). */ void processNotification(const QJsonObject& notification); /** Parse an error object and emit the appropriate signal(s). */ void processError(const QJsonObject& notification); protected: enum MessageType { Invalid = -1, ListQueues, SubmitJob, CancelJob, LookupJob, RegisterOpenWith, ListOpenWithNames, UnregisterOpenWith }; JsonRpcClient* m_jsonRpcClient; QHash m_requests; private: QJsonObject buildRegisterOpenWithRequest( const QString& name, const QList& filePatterns, const QJsonObject& handlerMethod); }; } // End namespace MoleQueue } // End namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_CLIENT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/jobobject.cpp000066400000000000000000000060231516317240700272210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "jobobject.h" #include namespace Avogadro::MoleQueue { JobObject::JobObject() {} JobObject::~JobObject() {} void JobObject::setValue(const QString& key, const QVariant& value_) { m_value[key] = QJsonValue::fromVariant(value_); } QVariant JobObject::value(const QString& key, const QVariant& defaultValue) const { return m_value.contains(key) ? m_value[key].toVariant() : defaultValue; } void JobObject::setQueue(const QString& queueName) { m_value["queue"] = queueName; } QString JobObject::queue() const { return m_value["queue"].toString(); } void JobObject::setProgram(const QString& programName) { m_value["program"] = programName; } QString JobObject::program() const { return m_value["program"].toString(); } void JobObject::setDescription(const QString& descriptionText) { m_value["description"] = descriptionText; } QString JobObject::description() const { return m_value["description"].toString(); } void JobObject::setInputFile(const QString& fileName, const QString& contents) { m_value["inputFile"] = fileSpec(fileName, contents); } void JobObject::setInputFile(const QString& path) { m_value["inputFile"] = fileSpec(path); } void JobObject::setInputFile(const QJsonObject& file) { m_value["inputFile"] = file; } QJsonObject JobObject::inputFile() const { return m_value["inputFile"].toObject(); } void JobObject::appendAdditionalInputFile(const QString& fileName, const QString& contents) { QJsonArray extraInputFiles; if (m_value["additionalInputFiles"].isArray()) extraInputFiles = m_value["additionalInputFiles"].toArray(); extraInputFiles.append(fileSpec(fileName, contents)); m_value["additionalInputFiles"] = extraInputFiles; } void JobObject::appendAdditionalInputFile(const QString& path) { QJsonArray extraInputFiles; if (m_value["additionalInputFiles"].isArray()) extraInputFiles = m_value["additionalInputFiles"].toArray(); extraInputFiles.append(fileSpec(path)); m_value["additionalInputFiles"] = extraInputFiles; } void JobObject::setAdditionalInputFiles(const QJsonArray& files) { m_value["additionalInputFiles"] = files; } void JobObject::clearAdditionalInputFiles() { m_value.remove("additionalInputFiles"); } QJsonArray JobObject::additionalInputFiles() const { return m_value["additionalInputFiles"].toArray(); } QJsonObject JobObject::fileSpec(const QString& fileName, const QString& contents) { QJsonObject result; result["filename"] = fileName; result["contents"] = contents; return result; } QJsonObject JobObject::fileSpec(const QString& path) { QJsonObject result; result["path"] = path; return result; } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/jobobject.h000066400000000000000000000120241516317240700266640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_JOBOBJECT_H #define AVOGADRO_MOLEQUEUE_JOBOBJECT_H #include "avogadromolequeueexport.h" #include #include #include namespace Avogadro { namespace MoleQueue { /** * @class JobObject jobobject.h * @brief Simple client-side representation for a MoleQueue job. * @author Marcus D. Hanwell * * The Job class provides a simple interface to the client side representation * of a job to be submitted to MoleQueue. Any fields that are not set/present * will be omitted entirely, or set to default values by MoleQueue. The internal * representation of a job (and the transport used) is JSON. * * The Job class and data structure is very lightweight, and designed to be * easily copied, modified and passed around. */ class AVOGADROMOLEQUEUE_EXPORT JobObject { public: JobObject(); ~JobObject(); /** Set the @p value of the specified @p key. */ void setValue(const QString& key, const QVariant& value); /** Get the value of the specified @p key. If the key is not set, return * @p defaultValue. */ QVariant value(const QString& key, const QVariant& defaultValue = QVariant()) const; /** * Set the job up using the supplied JSON object. This replaces all previous * settings that may have been applied. */ void fromJson(const QJsonObject& jsonObject) { m_value = jsonObject; } /** Get the JSON object with the current job settings in it. */ QJsonObject json() const { return m_value; } /** * Set the queue that the job should be submitted to. This must be a valid * queue name discovered using the client API. */ void setQueue(const QString& queueName); /** * Get the name of the queue that the job will be submitted to. An empty * string means that no queue has been set. */ QString queue() const; /** * Set the program that the job should be submitted to. This must be a valid * program in a valid queue as discovered using the client API. */ void setProgram(const QString& programName); /** * Get the name of the program that the job will be submitted to. An empty * string means that no program has been set. */ QString program() const; /** * Set the description of the job, this is free text. */ void setDescription(const QString& descriptionText); /** * Get the description of the job. */ QString description() const; /** * @brief Set the input file for the job. * @param fileName The file name as it will appear in the working directory. * @param contents The contents of the file specified. */ void setInputFile(const QString& fileName, const QString& contents); /** * Set the input file for the job, the file will be copied and the file name * used in the working directory of the job submission. * \param path The full path to the input file. */ void setInputFile(const QString& path); /** * Set the input file using a JSON object. This must conform to the file * specification. * @param file A JSON object employing file specification to specify input. */ void setInputFile(const QJsonObject& file); /** * Get the input file for the job. This is a JSON object using the file spec. */ QJsonObject inputFile() const; /** * Append an additional input file for the job. * @param fileName The file name as it will appear in the working directory. * @param contents The contents of the file specified. */ void appendAdditionalInputFile(const QString& fileName, const QString& contents); /** * Append an additional input file for the job, the file will be copied and * the file name used in the working directory of the job submission. * @param path The full path to the input file. */ void appendAdditionalInputFile(const QString& path); /** * Set the additional input file using a JSON object. This must conform to the * file specification. * @param files A JSON array employing file specification to specify input. */ void setAdditionalInputFiles(const QJsonArray& files); /** Clear additional input files. */ void clearAdditionalInputFiles(); /** * Get the additional input files for the job. This is a JSON object using the * file spec. */ QJsonArray additionalInputFiles() const; protected: QJsonObject m_value; /** * Generate a filespec JSON object form the supplied file name and contents. */ QJsonObject fileSpec(const QString& fileName, const QString& contents); /** * Generate a filespec JSON object form the supplied file path (must exist). */ QJsonObject fileSpec(const QString& path); }; } // End namespace MoleQueue } // End namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_JOBOBJECT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/jsonrpcclient.cpp000066400000000000000000000066121516317240700301410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "jsonrpcclient.h" #include #include #include #include namespace Avogadro::MoleQueue { JsonRpcClient::JsonRpcClient(QObject* parent_) : QObject(parent_), m_packetCounter(0), m_socket(nullptr) { connect(this, SIGNAL(newPacket(QByteArray)), SLOT(readPacket(QByteArray)), Qt::QueuedConnection); } JsonRpcClient::~JsonRpcClient() { flush(); } bool JsonRpcClient::isConnected() const { if (!m_socket) return false; else return m_socket->isOpen(); } bool JsonRpcClient::connectToServer(const QString& serverName_) { if (m_socket && m_socket->isOpen()) { if (m_socket->serverName() == serverName_) { return false; } else { m_socket->close(); delete m_socket; m_socket = nullptr; } } // New connection. if (m_socket == nullptr) { m_socket = new QLocalSocket(this); connect(m_socket, SIGNAL(readyRead()), this, SLOT(readSocket())); } if (serverName_.isEmpty()) { return false; } else { m_socket->connectToServer(serverName_); return isConnected(); } } QString JsonRpcClient::serverName() const { if (m_socket) return m_socket->serverName(); else return QString(); } void JsonRpcClient::flush() { if (m_socket) m_socket->flush(); } QJsonObject JsonRpcClient::emptyRequest() { QJsonObject request; request["jsonrpc"] = QLatin1String("2.0"); request["id"] = static_cast(m_packetCounter++); return request; } bool JsonRpcClient::sendRequest(const QJsonObject& request) { if (!m_socket) return false; QJsonDocument document(request); QDataStream stream(m_socket); stream.setVersion(QDataStream::Qt_4_8); stream << document.toJson(); return true; } void JsonRpcClient::readPacket(const QByteArray message) { // Read packet into a Json value QJsonParseError error; QJsonDocument reader = QJsonDocument::fromJson(message, &error); if (error.error != QJsonParseError::NoError) { emit badPacketReceived("Unparsable message received\n:" + error.errorString() + "\nContent: " + message); return; } else if (!reader.isObject()) { // We need a valid object, something bad happened. emit badPacketReceived("Packet did not contain a valid JSON object."); return; } else { QJsonObject root = reader.object(); if (root["method"] != QJsonValue::Null) { if (root["id"] != QJsonValue::Null) emit badPacketReceived("Received a request packet for the client."); else emit notificationReceived(root); } if (root["result"] != QJsonValue::Null) { // This is a result packet, and should emit a signal. emit resultReceived(root); } else if (root["error"] != QJsonValue::Null) { emit errorReceived(root); } } } void JsonRpcClient::readSocket() { if (m_socket->bytesAvailable() > 0) { QDataStream stream(m_socket); QByteArray json; stream >> json; emit newPacket(json); if (m_socket->bytesAvailable() > 0) QTimer::singleShot(0, this, SLOT(readSocket())); } } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/client/jsonrpcclient.h000066400000000000000000000074341516317240700276110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_JSONRPCCLIENT_H #define AVOGADRO_MOLEQUEUE_JSONRPCCLIENT_H #include "avogadromolequeueexport.h" #include #include class QLocalSocket; namespace Avogadro { namespace MoleQueue { /** * @class JsonRpcClient jsonrpcclient.h * @brief The JsonRpcClient class is used by clients to submit calls to an RPC * server using JSON-RPC 2.0. * @author Marcus D. Hanwell * * Provides a simple Qt C++ API to make JSON-RPC 2.0 calls to an RPC server. To * create a client connection and call a method the following should be done: * @code #include MoleQueue::JsonRpcClient *client = new MoleQueue::JsonRpcClient(this); client->connectToServer("MyRpcServer"); QJsonObject request(client->emptyRequest()); request["method"] = QLatin1String("listQueues"); client->sendRequest(request); @endcode * * You should connect to the appropriate signals in order to act on results, * notifications and errors received in response to requests set using the * client connection. */ class AVOGADROMOLEQUEUE_EXPORT JsonRpcClient : public QObject { Q_OBJECT public: explicit JsonRpcClient(QObject* parent_ = nullptr); ~JsonRpcClient() override; /** * Query if the client is connected to a server. * @return True if connected, false if not. */ bool isConnected() const; /** * @return The server name that the client is connected to. */ QString serverName() const; public slots: /** * Connect to the server. * @param serverName Name of the socket to connect to. */ bool connectToServer(const QString& serverName); /** * @brief flush Flush all pending messages to the server. * @warning This should not need to be called if used in an event loop, as Qt * will start writing to the socket as soon as control returns to the event * loop. */ void flush(); /** * Use this function to construct an empty JSON-RPC 2.0 request, with a valid * request id, JSON-RPC 2.0 key etc. * @return a standard empty JSON-RPC 2.0 packet, the method etc is empty. */ QJsonObject emptyRequest(); /** * Send the Json request to the RPC server. * @param request The JSON-RPC 2.0 request object. * @return True on success, false on failure. */ bool sendRequest(const QJsonObject& request); protected slots: /** * Read incoming packets of data from the server. */ void readPacket(const QByteArray message); /** * Read incoming data, interpret JSON stream. */ void readSocket(); signals: /** * Emitted when the connection state changes. */ void connectionStateChanged(); /** * Emitted when a result is received. */ void resultReceived(QJsonObject message); /** * Emitted when a notification is received. */ void notificationReceived(QJsonObject message); /** * Emitted when an error response is received. */ void errorReceived(QJsonObject message); /** * Emitted when a bad packet was received that the client could not parse. */ void badPacketReceived(QString error); /** * Emitted when a new packet of data is received. This is handled internally, * other classes should listen to resultReceived, notificationReceived, * errorReceived, and badPacketReceived. */ void newPacket(const QByteArray& packet); protected: unsigned int m_packetCounter; QLocalSocket* m_socket; }; } // End namespace MoleQueue } // End namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_JSONRPCCLIENT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgenerator.cpp000066400000000000000000000646071516317240700270640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "inputgenerator.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::MoleQueue { using QtGui::GenericHighlighter; using QtGui::PythonScript; InputGenerator::InputGenerator(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(scriptFilePath_, this)), m_moleculeExtension("Unknown") { } InputGenerator::InputGenerator(QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(this)), m_moleculeExtension("Unknown") { } bool InputGenerator::debug() const { return m_interpreter->debug(); } QJsonObject InputGenerator::options() const { m_errors.clear(); if (m_options.isEmpty()) { qDeleteAll(m_highlightStyles.values()); m_highlightStyles.clear(); // Retrieve/set options QByteArray json = m_interpreter->execute(QStringList() << "--print-options"); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return m_options; } QJsonDocument doc; if (!parseJson(json, doc)) return m_options; if (!doc.isObject()) { m_errors << tr("script --print-options output must be an JSON object " "at top level. Received:\n%1") .arg(json.constData()); return m_options; } m_options = doc.object(); // Check if the generator needs to read a molecule. m_moleculeExtension = "None"; if (m_options.contains("inputMoleculeFormat") && m_options["inputMoleculeFormat"].isString()) { m_moleculeExtension = m_options["inputMoleculeFormat"].toString(); } if (m_options.contains("highlightStyles") && m_options.value("highlightStyles").isArray()) { if (!parseHighlightStyles(m_options.value("highlightStyles").toArray())) { qDebug() << "Failed to parse highlighting styles."; } } } return m_options; } QString InputGenerator::displayName() const { m_errors.clear(); if (m_displayName.isEmpty()) { if (m_interpreter->isPackageMode()) { m_displayName = m_interpreter->packageDisplayName().trimmed(); if (m_displayName.isEmpty()) m_displayName = m_interpreter->packageIdentifier().trimmed(); } else { m_displayName = QString(m_interpreter->execute(QStringList() << "--display-name")); m_errors << m_interpreter->errorList(); m_displayName = m_displayName.trimmed(); } } return m_displayName; } QString InputGenerator::scriptFilePath() const { return m_interpreter->scriptFilePath(); } void InputGenerator::setScriptFilePath(const QString& scriptFile) { reset(); m_interpreter->setScriptFilePath(scriptFile); } void InputGenerator::setOptions(const QJsonObject& options) { m_options = options; m_moleculeExtension = "None"; if (m_options.contains("inputMoleculeFormat") && m_options["inputMoleculeFormat"].isString()) { m_moleculeExtension = m_options["inputMoleculeFormat"].toString(); } if (m_options.contains("highlightStyles") && m_options.value("highlightStyles").isArray()) { qDeleteAll(m_highlightStyles.values()); m_highlightStyles.clear(); if (!parseHighlightStyles(m_options.value("highlightStyles").toArray())) qDebug() << "Failed to parse highlighting styles."; } } void InputGenerator::reset() { m_interpreter->setDefaultPythonInterpreter(); m_interpreter->setScriptFilePath(QString()); m_moleculeExtension = "Unknown"; m_displayName = QString(); m_options = QJsonObject(); m_warnings.clear(); m_errors.clear(); m_filenames.clear(); m_mainFileName.clear(); m_files.clear(); m_fileHighlighters.clear(); m_highlightStyles.clear(); } bool InputGenerator::generateInput(const QJsonObject& options_, const Core::Molecule& mol) { m_errors.clear(); m_warnings.clear(); m_filenames.clear(); qDeleteAll(m_fileHighlighters.values()); m_fileHighlighters.clear(); m_mainFileName.clear(); m_files.clear(); // Add the molecule file to the options QJsonObject allOptions(options_); if (!insertMolecule(allOptions, mol)) return false; // Pass options on stdin to avoid command-line length limits (e.g. Windows). QByteArray jsonDoc = QJsonDocument(allOptions).toJson(QJsonDocument::Compact); QByteArray json = m_interpreter->execute(QStringList(), jsonDoc); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return false; } QJsonDocument doc; if (!parseJson(json, doc)) return false; // Update cache bool result = true; if (doc.isObject()) { QJsonObject obj = doc.object(); // Check for any warnings: if (obj.contains("warnings")) { if (obj["warnings"].isArray()) { foreach (const QJsonValue& warning, obj["warnings"].toArray()) { if (warning.isString()) m_warnings << warning.toString(); else m_errors << tr("Non-string warning returned."); } } else { m_errors << tr("'warnings' member is not an array."); } } // Extract input file text: if (obj.contains("files")) { if (obj["files"].isArray()) { foreach (const QJsonValue& file, obj["files"].toArray()) { if (file.isObject()) { QJsonObject fileObj = file.toObject(); if (fileObj["filename"].isString()) { QString fileName = fileObj["filename"].toString(); QString contents; if (fileObj["contents"].isString()) { contents = fileObj["contents"].toString(); } else if (fileObj["filePath"].isString()) { QFile refFile(fileObj["filePath"].toString()); if (refFile.exists() && refFile.open(QFile::ReadOnly)) { contents = QString(refFile.readAll()); } else { contents = tr("Reference file '%1' does not exist.") .arg(refFile.fileName()); m_warnings << tr("Error populating file %1: %2") .arg(fileName, contents); } } else { m_errors << tr("File '%1' poorly formed. Missing string " "'contents' or 'filePath' members.") .arg(fileName); contents = m_errors.back(); result = false; } replaceKeywords(contents, mol); m_filenames << fileName; m_files.insert(fileObj["filename"].toString(), contents); // Concatenate the requested styles for this input file. if (fileObj["highlightStyles"].isArray()) { auto* highlighter(new GenericHighlighter(this)); foreach (const QJsonValue& styleVal, fileObj["highlightStyles"].toArray()) { if (styleVal.isString()) { QString styleName(styleVal.toString()); if (m_highlightStyles.contains(styleName)) { *highlighter += *m_highlightStyles[styleName]; } else { qDebug() << "Cannot find highlight style '" << styleName << "' for file '" << fileName << "'"; } } } if (highlighter->ruleCount() > 0) m_fileHighlighters[fileName] = highlighter; else highlighter->deleteLater(); } else if (m_highlightStyles.contains("default")) { auto* highlighter(new GenericHighlighter(this)); *highlighter += *m_highlightStyles["default"]; if (highlighter->ruleCount() > 0) m_fileHighlighters[fileName] = highlighter; else highlighter->deleteLater(); } } else { result = false; m_errors << tr("Malformed file entry: filename/contents missing" " or not strings:\n%1") .arg(QString(QJsonDocument(fileObj).toJson())); } // end if/else filename and contents are strings } else { result = false; m_errors << tr("Malformed file entry at index %1: Not an object.") .arg(m_filenames.size()); } // end if/else file is JSON object } // end foreach file } else { result = false; m_errors << tr("'files' member not an array."); } // end if obj["files"] is JSON array } else { result = false; m_errors << tr("'files' member missing."); } // end if obj contains "files" // Extract main input filename: if (obj.contains("mainFile")) { if (obj["mainFile"].isString()) { QString mainFile = obj["mainFile"].toString(); if (m_filenames.contains(mainFile)) { m_mainFileName = mainFile; } else { result = false; m_errors << tr("'mainFile' member does not refer to an entry in " "'files'."); } // end if/else mainFile is known } else { result = false; m_errors << tr("'mainFile' member must be a string."); } // end if/else mainFile is string } else { // If no mainFile is specified and there is only one file, use it as the // main file. Otherwise, don't set a main input file -- all files will // be treated as supplemental input files if (m_filenames.size() == 1) m_mainFileName = m_filenames.first(); } // end if/else object contains mainFile } else { result = false; m_errors << tr("Response must be a JSON object at top-level."); } if (!result) m_errors << tr("Script output:\n%1").arg(QString(json)); return result; } int InputGenerator::numberOfInputFiles() const { return m_filenames.size(); } QStringList InputGenerator::fileNames() const { return m_filenames; } QString InputGenerator::mainFileName() const { return m_mainFileName; } QString InputGenerator::fileContents(const QString& fileName) const { return m_files.value(fileName, QString()); } GenericHighlighter* InputGenerator::createFileHighlighter( const QString& fileName) const { GenericHighlighter* toClone(m_fileHighlighters.value(fileName, nullptr)); return toClone ? new GenericHighlighter(*toClone) : toClone; } void InputGenerator::setDebug(bool d) { m_interpreter->setDebug(d); } bool InputGenerator::parseJson(const QByteArray& json, QJsonDocument& doc) const { QJsonParseError error; doc = QJsonDocument::fromJson(json, &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Parse error at offset %L1: '%2'\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString(json)); return false; } return true; } bool InputGenerator::insertMolecule(QJsonObject& json, const Core::Molecule& mol) const { // Update the cached options if the format is not set if (m_moleculeExtension == "Unknown") options(); if (m_moleculeExtension == "None") return true; Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); if (format.isNull()) { m_errors << tr("Error saving molecule representation to string: " "Unrecognized file format: %1") .arg(m_moleculeExtension); return false; } std::string str; if (!format->writeString(str, mol)) { m_errors << tr("Error saving molecule representation to string: %1", "%1 = error message") .arg(QString::fromStdString(format->error())); return false; } if (m_moleculeExtension != "cjson") { json.insert(m_moleculeExtension, QJsonValue(QString::fromStdString(str))); } else { // If cjson was requested, embed the actual JSON, rather than the string. QJsonParseError error; QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Error generating cjson object: Parse error at offset %1: " "%2\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString::fromStdString(str)); return false; } if (!doc.isObject()) { m_errors << tr("Error generator cjson object: Parsed JSON is not an " "object:\n%1") .arg(QString::fromStdString(str)); return false; } json.insert(m_moleculeExtension, doc.object()); } return true; } QString InputGenerator::generateCoordinateBlock(const QString& spec, const Core::Molecule& mol) const { Core::CoordinateBlockGenerator gen; gen.setMolecule(&mol); gen.setSpecification(spec.toStdString()); std::string tmp(gen.generateCoordinateBlock()); if (!tmp.empty()) tmp.resize(tmp.size() - 1); // Pop off the trailing newline return QString::fromStdString(tmp); } void InputGenerator::replaceKeywords(QString& str, const Core::Molecule& mol) const { // Simple keywords: str.replace("$$atomCount$$", QString::number(mol.atomCount())); str.replace("$$bondCount$$", QString::number(mol.bondCount())); // Find each coordinate block keyword in the file, then generate and replace // it with the appropriate values. QRegularExpression coordParser(R"(\$\$coords:([^\$]*)\$\$)"); QRegularExpressionMatch match; int ind = 0; // Not sure while this needs to be a while statement since we replace all in // one go? We never iterate ind... while ((match = coordParser.match(str, ind)).hasMatch()) { // Extract spec and prepare the replacement const QString keyword = match.captured(0); const QString spec = match.captured(1); // Replace all blocks with this signature str.replace(keyword, generateCoordinateBlock(spec, mol)); } // end for coordinate block } bool InputGenerator::parseHighlightStyles(const QJsonArray& json) const { bool result(true); foreach (QJsonValue styleVal, json) { if (!styleVal.isObject()) { qDebug() << "Non-object in highlightStyles array."; result = false; continue; } QJsonObject styleObj(styleVal.toObject()); if (!styleObj.contains("style")) { qDebug() << "Style object missing 'style' member."; result = false; continue; } if (!styleObj.value("style").isString()) { qDebug() << "Style object contains non-string 'style' member."; result = false; continue; } QString styleName(styleObj.value("style").toString()); if (m_highlightStyles.contains(styleName)) { qDebug() << "Duplicate highlight style: " << styleName; result = false; continue; } if (!styleObj.contains("rules")) { qDebug() << "Style object" << styleName << "missing 'rules' member."; result = false; continue; } if (!styleObj.value("rules").isArray()) { qDebug() << "Style object" << styleName << "contains non-array 'rules' member."; result = false; continue; } QJsonArray rulesArray(styleObj.value("rules").toArray()); auto* highlighter( new GenericHighlighter(const_cast(this))); if (!parseRules(rulesArray, *highlighter)) { qDebug() << "Error parsing style" << styleName << '\n' << QString(QJsonDocument(styleObj).toJson()); highlighter->deleteLater(); result = false; continue; } m_highlightStyles.insert(styleName, highlighter); } return result; } bool InputGenerator::parseRules(const QJsonArray& json, GenericHighlighter& highligher) const { bool result(true); foreach (QJsonValue ruleVal, json) { if (!ruleVal.isObject()) { qDebug() << "Rule is not an object."; result = false; continue; } QJsonObject ruleObj(ruleVal.toObject()); if (!ruleObj.contains("patterns")) { qDebug() << "Rule missing 'patterns' array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value("patterns").isArray()) { qDebug() << "Rule 'patterns' member is not an array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonArray patternsArray(ruleObj.value("patterns").toArray()); if (!ruleObj.contains("format")) { qDebug() << "Rule missing 'format' object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value("format").isObject()) { qDebug() << "Rule 'format' member is not an object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonObject formatObj(ruleObj.value("format").toObject()); GenericHighlighter::Rule& rule = highligher.addRule(); foreach (QJsonValue patternVal, patternsArray) { QRegularExpression pattern; if (!parsePattern(patternVal, pattern)) { qDebug() << "Error while parsing pattern:" << '\n' << QString(QJsonDocument(patternVal.toObject()).toJson()); result = false; continue; } rule.addPattern(pattern); } QTextCharFormat format; if (!parseFormat(formatObj, format)) { qDebug() << "Error while parsing format:" << '\n' << QString(QJsonDocument(formatObj).toJson()); result = false; } rule.setFormat(format); } return result; } // Dark-mode palette: brighter / higher-value colors for contrast on dark // backgrounds. static const std::map darkModeColors = { { "red", QColorConstants::Svg::crimson }, // #DC143C { "orange", QColorConstants::Svg::coral }, // #FF7F50 { "yellow", QColorConstants::Svg::goldenrod }, // #DAA520 { "green", QColorConstants::Svg::springgreen }, // #00FF7F { "cyan", QColorConstants::Svg::cyan }, // #00FFFF { "blue", QColorConstants::Svg::dodgerblue }, // #1E90FF { "purple", QColorConstants::Svg::mediumpurple }, // #9370DB { "pink", QColorConstants::Svg::orchid }, // #DA70D6 { "white", QColorConstants::Svg::whitesmoke }, // #F5F5F5 { "gray", QColorConstants::Svg::darkgray }, // #A9A9A9 }; // Light-mode palette: deeper / more saturated colors for contrast on light // backgrounds. static const std::map lightModeColors = { { "red", QColorConstants::Svg::maroon }, // #800000 { "orange", QColorConstants::Svg::coral }, // #FF7F50 { "yellow", QColorConstants::Svg::goldenrod }, // #DAA520 { "green", QColorConstants::Svg::limegreen }, // #32CD32 { "cyan", QColorConstants::Svg::deepskyblue }, // #00BFFF { "blue", QColorConstants::Svg::blue }, // #0000FF { "purple", QColorConstants::Svg::blueviolet }, // #8A2BE2 { "pink", QColorConstants::Svg::fuchsia }, // #FF00FF { "white", QColorConstants::Svg::black }, // #000000 { "gray", QColorConstants::Svg::dimgray }, // #696969 }; inline const QColor highlightColor(const std::string& name, bool isDarkMode) { return isDarkMode ? darkModeColors.at(name) : lightModeColors.at(name); } bool InputGenerator::parseFormat(const QJsonObject& json, QTextCharFormat& format) const { // Check for presets first: if (json.contains("preset")) { if (!json["preset"].isString()) { qDebug() << "Preset is not a string."; return false; } QString preset(json["preset"].toString()); enum class HighlightPreset { Title, Keyword, Property, NumLiteral, StrLiteral, Comment, Method, Basis, Block, }; std::unordered_map mapStringToPreset{ { QString("title"), HighlightPreset::Title }, { QString("keyword"), HighlightPreset::Keyword }, { QString("property"), HighlightPreset::Property }, { QString("num_literal"), HighlightPreset::NumLiteral }, { QString("str_literal"), HighlightPreset::StrLiteral }, { QString("comment"), HighlightPreset::Comment }, { QString("method"), HighlightPreset::Method }, { QString("basis"), HighlightPreset::Basis }, { QString("block"), HighlightPreset::Block }, }; const QPalette defaultPalette; bool isDarkMode = (defaultPalette.color(QPalette::WindowText).lightness() > defaultPalette.color(QPalette::Window).lightness()); if (mapStringToPreset.count(preset) == 0) { qDebug() << "Invalid style preset: " << preset; return false; } HighlightPreset presetType = mapStringToPreset[preset]; format.setFontFamily(QStringLiteral("mono")); /// @todo Store presets in a singleton that can be configured in the GUI, /// rather than hardcoding them. switch (presetType) { case HighlightPreset::Title: format.setFontWeight(QFont::Bold); format.setForeground(highlightColor("green", isDarkMode)); return true; case HighlightPreset::Keyword: format.setForeground(highlightColor("blue", isDarkMode)); return true; case HighlightPreset::Property: format.setForeground(highlightColor("cyan", isDarkMode)); return true; case HighlightPreset::NumLiteral: format.setForeground(highlightColor("orange", isDarkMode)); return true; case HighlightPreset::StrLiteral: format.setForeground(highlightColor("red", isDarkMode)); return true; case HighlightPreset::Comment: format.setFontItalic(true); format.setForeground(highlightColor("gray", isDarkMode)); return true; case HighlightPreset::Method: format.setForeground(highlightColor("purple", isDarkMode)); return true; case HighlightPreset::Basis: format.setForeground(highlightColor("pink", isDarkMode)); return true; case HighlightPreset::Block: format.setForeground(highlightColor("yellow", isDarkMode)); return true; } } // Extract an RGB tuple from 'array' as a QBrush: struct { QBrush operator()(const QJsonArray& array, bool* ok) { *ok = false; QBrush result; if (array.size() != 3) return result; int rgb[3]; for (int i = 0; i < 3; ++i) { if (!array.at(i).isDouble()) return result; rgb[i] = static_cast(array.at(i).toDouble()); if (rgb[i] < 0 || rgb[i] > 255) { qDebug() << "Warning: Color component value invalid: " << rgb[i] << " (Valid range is 0-255)."; } } result.setColor(QColor(rgb[0], rgb[1], rgb[2])); result.setStyle(Qt::SolidPattern); *ok = true; return result; } } colorParser; if (json.contains("foreground") && json.value("foreground").isArray()) { QJsonArray foregroundArray(json.value("foreground").toArray()); bool ok; format.setForeground(colorParser(foregroundArray, &ok)); if (!ok) return false; } if (json.contains("background") && json.value("background").isArray()) { QJsonArray backgroundArray(json.value("background").toArray()); bool ok; format.setBackground(colorParser(backgroundArray, &ok)); if (!ok) return false; } if (json.contains("attributes") && json.value("attributes").isArray()) { QJsonArray attributesArray(json.value("attributes").toArray()); format.setFontWeight(attributesArray.contains(QLatin1String("bold")) ? QFont::Bold : QFont::Normal); format.setFontItalic(attributesArray.contains(QLatin1String("italic"))); format.setFontUnderline( attributesArray.contains(QLatin1String("underline"))); } if (json.contains("family") && json.value("family").isString()) { format.setFontFamily(json.value("family").toString()); } return true; } bool InputGenerator::parsePattern(const QJsonValue& json, QRegularExpression& pattern) const { if (!json.isObject()) return false; QJsonObject patternObj(json.toObject()); QString regexPattern; QRegularExpression::PatternOptions patternOptions = QRegularExpression::NoPatternOption; if (patternObj.contains(QStringLiteral("regexp")) && patternObj.value(QStringLiteral("regexp")).isString()) { // Use the provided regular expression as-is regexPattern = patternObj.value(QStringLiteral("regexp")).toString(); } else if (patternObj.contains(QStringLiteral("wildcard")) && patternObj.value(QStringLiteral("wildcard")).isString()) { // Convert wildcard pattern (* -> .* and ? -> .) QString wildcard = patternObj.value(QStringLiteral("wildcard")).toString(); regexPattern = QRegularExpression::escape(wildcard) .replace("\\*", ".*") .replace("\\?", "."); } else if (patternObj.contains(QStringLiteral("string")) && patternObj.value(QStringLiteral("string")).isString()) { // Escape the string so it is treated literally in the regex regexPattern = QRegularExpression::escape( patternObj.value(QStringLiteral("string")).toString()); } else { return false; } // Set case sensitivity if specified if (patternObj.contains(QStringLiteral("caseSensitive"))) { bool caseSensitive = patternObj.value(QStringLiteral("caseSensitive")).toBool(true); if (!caseSensitive) { patternOptions |= QRegularExpression::CaseInsensitiveOption; } } // Set the final pattern with options pattern = QRegularExpression(regexPattern, patternOptions); return pattern.isValid(); } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgenerator.h000066400000000000000000000534601516317240700265240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_INPUTGENERATOR_H #define AVOGADRO_MOLEQUEUE_INPUTGENERATOR_H #include "avogadromolequeueexport.h" #include #include #include #include #include #include class QJsonDocument; class QProcess; class QTextCharFormat; namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { class GenericHighlighter; class PythonScript; } // namespace QtGui namespace MoleQueue { /** * @class InputGenerator inputgenerator.h * @brief The InputGenerator class provides an interface to input generator * scripts. * @sa InputGeneratorWidget * * The QuantumInput extension provides a scriptable method for users to add * custom input generators to Avogadro. By writing an executable that implements * the interface defined below, new input generators can be created faster and * easier than writing full Avogadro extensions. * * Script Entry Points * =================== * * The script must handle the following command-line arguments: * - `--debug` Enable extra debugging output. Used with other commands. * It is not required that the script support extra debugging, but it should * not crash when this option is passed. * - `--print-options` Print the available options supported by the * script, e.g. simulation parameters, etc. See below for more details. * - `--generate-input` Read an option block from stdin and print * input files to stdout. See below for more details. * - `--display-name` Print a user-friendly name for the input generator. * This is used in the GUI for menu entries, window titles, etc. * * Specifying parameters with `--print-options` * ============================================ * * The format of the `--print-options` output must be a JSON object of * the following form: ~~~{.js} { "userOptions": { ... }, "highlightStyles": [ { "style": "Descriptive name", "rules": [ { "patterns": [ ... ], "format": { ... } }, ... ], }, ... ], "inputMoleculeFormat": "cjson" } ~~~ * The `userOptions` block contains a JSON object keyed with option names * (e.g. "First option name"), which are used in the GUI to label simulation * parameter settings. Various parameter types are supported: * * Fixed Mutually-Exclusive Parameter Lists * ---------------------------------------- * * Parameters that have a fixed number of mutually-exclusive string values will * be presented using a QComboBox. Such a parameter can be specified in the * `userOptions` block as: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "stringList", "values": ["Option 1", "Option 2", "Option 3"], "default": 0 } } } ~~~ * Here, `Parameter Name` is the label that will be displayed in the GUI as a * label next to the combo box. * The array of strings in `values` will be used as the available entries in * the combo box in the order they are written. * `default` is a zero-based index into the `values` array and indicates * which value should be initially selected by default. * * Short Free-Form Text Parameters * ------------------------------- * * A short text string can be requested (e.g. for the "title" of an * optimization) via: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "string", "default": "blah blah blah" } } } ~~~ * This will add a QLineEdit to the GUI, initialized with the text specified by * `default`. * * Existing files * -------------- * * An input generator can ask for the absolute path to an existing file using * the following option block: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "filePath", "default": "/path/to/some/file" } } } ~~~ * This will add an Avogadro::QtGui::FileBrowseWidget to the GUI, initialized to * the file pointed to by default. * * Clamped Integer Values * ---------------------- * * Scripts may request integer values from a specified range by adding a * user-option of the following form: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "integer", "minimum": -5, "maximum": 5, "default": 0, "prefix": "some text ", "suffix": " units" } } } ~~~ * This block will result in a QSpinBox, configured as follows: * - `minimum` and `maximum` indicate the valid range of integers for the * parameter. * - `default` is the integer value that will be shown initially. * - (optional) `prefix` and `suffix` are used to insert text before or * after the integer value in the spin box. * This is handy for specifying units. * Note that any prefix or suffix will be stripped out of the corresponding * entry in the call to `--generate-input`, and just the raw integer value * will be sent. * * Boolean Parameters * ------------------ * * If a simple on/off value is needed, a boolean type option can be requested: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "boolean", "default": true, } } } ~~~ * This will result in a QCheckBox in the dynamically generated GUI, with * the initial check state shown in `default`. * * Special Parameters * ------------------ * * Some parameters are common to most calculation codes. * If the following parameter names are found, they will be handled specially * while creating the GUI. * It is recommended to use the names below for these options to provide a * consistent interface and ensure that MoleQueue job staging uses correct * values where appropriate. * * | Option name | type | description | * | :----------------: | :--------: | :------------------------------------------------------------------ | * | "Title" | string | Input file title comment, MoleQueue job description. | * | "Filename Base" | string | Input file base name, e.g. "job" in "job.inp". | * | "Processor Cores" | integer | Number of cores to use. Will be passed to MoleQueue. | * | "Calculation Type" | stringList | Type of calculation, e.g. "Single Point" or "Equilibrium Geometry". | * | "Theory" | stringList | Levels of QM theory, e.g. "RHF", "B3LYP", "MP2", "CCSD", etc. | * | "Basis" | stringList | Available basis sets, e.g. "STO-3G", "6-31G**", etc. | * | "Charge" | integer | Charge on the system. | * | "Multiplicity" | integer | Spin multiplicity of the system. | * * Syntax Highlighting * ------------------- * * Rules for syntax highlighting can be specified as a collection of regular * expressions or wildcard patterns and text format specifications in the * "highlightRules" array. The `highlightRules` format is: ~~~{.js} "highlightStyles": [ { "style": "Style 1", "rules": [ (list of highlight rules, see below) ], }, { "style": "Style 2", "rules": [ (list of highlight rules, see below) ], }, ... ], ~~~ * The `style` name is unique to the style object, and used to associate a * set of highlighting rules with particular output files. See the * `--generate-input` documentation for more details. * * The general form of a highlight rule is: ~~~{.js} { "patterns": [ { "regexp": "^Some regexp?$" }, { "wildcard": "A * wildcard expression" }, { "string": "An exact string to match.", "caseSensitive": false }, ... ], "format": { "preset": "" } } ~~~ * * or, * ~~~{.js} { "patterns": [ ... ], "format": { "foreground": [ 255, 128, 64 ], "background": [ 0, 128, 128 ], "attributes": ["bold", "italic", "underline"], "family": "serif" } } ~~~ * * The `patterns` array contains a collection of fixed strings, wildcard * expressions, and regular expressions (using the QRegularExpression syntax * flavor, see the QRegularExpression documentation) that are used to identify * strings that should be formatted. * There must be one of the following members present in each pattern object: * - `regexp` A QRegularExpresion-style regular expression. If no capture groups * ("(...)") are defined, the entire match is formatted. If one or more * capture groups, only the captured texts will be marked. * - `wildcard` A wildcard expression * - `string` An exact string to match. * * Any pattern object may also set a boolean `caseSensitive` member to indicate * whether the match should consider character case. If omitted, a * case-sensitive match is assumed. * * The preferred form of the `format` member is simply a specification of a * preset format. * This allows for consistent color schemes across input generators. * The recognized presets are: * - `"title"`: A human readable title string. * - `"keyword"`: directives defined by the target input format specification * to have special meaning, such as tags indicating where coordinates are * to be found. * - `"property"`: A property of the simulation, such as level of theory, basis * set, minimization method, etc. * - `"literal"`: A numeric literal (i.e. a raw number, such as a coordinate). * - `"comment"`: Sections of the input that are ignored by the simulation code. * * If advanced formatting is desired, the second form of the `format` member * allows fine-tuning of the font properties: * - `foreground` color as an RGB tuple, ranged 0-255 * - `background` color as an RGB tuple, ranged 0-255 * - `attributes` array of font attributes, valid strings are `"bold"`, * `"italic"`, or `"underline"` * - `family` of font. Valid values are `"serif"`, `"sans"`, or `"mono"` * * Any of the font property members may be omitted and default QTextCharFormat * settings will be substituted. * * The input generator extension will apply the entries in the `highlightRules` * object to the text in the order they appear. Thus, later rules will * override the formatting of earlier rules should a conflict arise. * * Requesting Full Structure of Current Molecule * --------------------------------------------- * * The `inputMoleculeFormat` is optional, and can be used to request a * representation of the current molecule's geometry when * `--generate-input` is called. The corresponding value * indicates the format of the molecule that the script expects. If this value * is omitted, no representation of the structure will be provided. * * @note Currently valid options for inputMoleculeFormat are "cjson" for * Chemical JSON or "cml" for Chemical Markup Language. * * Handling User Selections: `--generate-input` * ============================================ * * When `--generate-input` is passed, the information needed to generate * the input file will be written to the script's standard input * channel as JSON string of the following form: ~~~{.js} { "cjson": {...}, "options": { "First option name": "Value 2", "Second option name": "Value 1", ... } } ~~~ * The `cjson` entry will contain a Chemical JSON representation * of the molecule if `inputMoleculeFormat` is set to "cjson" in the * `--print-options` output. * Similarly, a `cml` entry and CML string will exist if a Chemical Markup * Language representation was requested. * It will be omitted entirely if `inputMoleculeFormat` is not set. * The `options` block contains key/value * pairs for each of the options specified in the `userOptions` block of the * `--print-options` output. * * If the script is called with `--generate-input`, it must write a JSON * string to standard output with the following format: ~~~{.js} { "files": [ { "filename": "file1.ext", "contents": "...", "highlightStyles": [ ... ] }, { "filename": "file2.ext", "filePath": "/path/to/file/on/local/filesystem" }, ... ], "warnings": ["First warning.", "Second warning.", ... ], "mainFile": "file2.ext" } ~~~ * The `files` block is an array of objects, which define the actual input * files. The `filename` member provides the name of the file, and * either `contents` or `filePath` provide the text that goes into the file. * The `contents` string will be used as the file contents, and `filePath` * should contain an absolute path to a file on the filesystem to read and use * as the input file contents. * The optional `highlightStyles` member is an array of strings describing any * highlight styles to apply to the file (see `--print-options` documentation). * Each string in this array must match a `style` description in a highlighting * rule in the `--print-options` output. * Zero or more highlighting styles may be applied to any file. * The order of the files in the * GUI will match the order of the files in the array, and the first file will * be displayed first. * * The `warnings` member provides an array of strings that describe non-fatal * warnings to be shown to the users. This is useful for describing * the resolution of conflicting options, e.g. "Ignoring basis set for * semi-empirical calculation.". This member is optional and should be omitted * if no warnings are present. * * The `mainFile` member points to the primary input file for a calculation. * This is the file that will be used as a command line argument when executing * the simulation code (if applicable), and used by MoleQueue to set the * `$$inputFileName$$` and `$$inputFileBaseName$$` input template keywords. * This is optional; if present, the filename must exist in the `files` array. * If absent and only one file is specified in `files`, the single input file * will be used. Otherwise, the main file will be left unspecified. * * Automatic Generation of Geometry * ================================ * * The generation of molecular geometry descriptions may be skipped in the * script and deferred to the InputGenerator class by use of a special keyword. * The "contents" string may contain a keyword of the form ~~~ $$coords:[coordSpec]$$ ~~~ * where `[coordSpec]` is a sequence of characters. * The characters in `[coordSpec]` indicate the information needed about each * atom in the coordinate block. * See the CoordinateBlockGenerator documentation for a list of recognized * characters. * * Other keywords that can be used in the input files are: * - `$$atomCount$$`: Number of atoms in the molecule. * - `$$bondCount$$`: Number of bonds in the molecule. * * Error Handling * ============== * * In general, these scripts should be written robustly so that they will not * fail under normal circumstances. However, if for some reason an error * occurs that must be reported to the user, simply write the error message to * standard output as plain text (i.e. not JSON), and it will be shown to the * user. * * Debugging * ========= * * Debugging may be enabled by defining AVO_QM_INPUT_DEBUG in the process's * environment. This will cause the --debug option to be passed in * all calls to generator scripts, and will print extra information to the * qDebug() stream from within avogadro. The script is free to handle the * debug flag as the author wishes. */ class AVOGADROMOLEQUEUE_EXPORT InputGenerator : public QObject { Q_OBJECT public: /** * Constructor * @param scriptFilePath_ Absolute path to generator script. */ explicit InputGenerator(const QString& scriptFilePath_, QObject* parent_ = nullptr); explicit InputGenerator(QObject* parent_ = nullptr); ~InputGenerator() override = default; /** * @return True if debugging is enabled. */ bool debug() const; /** * @return True if the generator is configured with a valid script. */ bool isValid() const; /** * Query the script for the available options (--generate-options) * and return the output as a JSON object. * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QJsonObject options() const; /** * Return a user-friendly name for the generator. * @note In package mode this is taken from package metadata. For legacy * script mode, the value is queried from --display-name. * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QString displayName() const; /** * @return The path to the generator file. */ QString scriptFilePath() const; /** * Set the path to the input generator script file. This will reset any * cached data held by this class. */ void setScriptFilePath(const QString& scriptFile); /** * Pre-load options from a JSON object, bypassing the script's * --print-options call. Used by package-based generators that store * options in a separate JSON file declared in pyproject.toml. */ void setOptions(const QJsonObject& options); /** * Access to the underlying PythonScript interpreter for direct * configuration (e.g. setting package mode via setPackageInfo()). * @{ */ QtGui::PythonScript& interpreter() { return *m_interpreter; } const QtGui::PythonScript& interpreter() const { return *m_interpreter; } /** @} */ /** * Clear any cached data and return to an uninitialized state. */ void reset(); /** * Request input files from the script using the supplied options object and * molecule. See the class documentation for details on the @p options_ * object format. * * If the files are generated successfully, use the functions * numberOfInputFiles(), fileNames(), and fileContents() to retrieve them. * * @return true on success and false on failure. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ bool generateInput(const QJsonObject& options_, const Core::Molecule& mol); /** * @return The number of input files stored by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ int numberOfInputFiles() const; /** * @return A list of filenames created by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ QStringList fileNames() const; /** * @return The "main" input file of the collection. This is the input file * used by MoleQueue to determine the $$inputFileName$$ and * $$inputFileBaseName$$ keywords. * @note This function is only valid after a successful call to * generateInput(). */ QString mainFileName() const; /** * @return A file contents corresponding to @p fileName. Must call * generateInput() first. * @sa fileNames */ QString fileContents(const QString& fileName) const; /** * @return A syntax highlighter for the file @a fileName. Must call * generateInput() first. The caller takes ownership of the returned object. * If no syntax highlighter is defined, this function returns nullptr. * @sa fileNames */ QtGui::GenericHighlighter* createFileHighlighter( const QString& fileName) const; /** * @return True if an error is set. */ bool hasErrors() const { return !m_errors.isEmpty(); } /** * Reset the error counter. */ void clearErrors() { m_errors.clear(); } /** * @return A QStringList containing all errors that occurred in the last call * to the input generator script. */ QStringList errorList() const { return m_errors; } /** * @return A QStringList containing all warnings returned by the input * generator script in the last call to generateInput. These are * script-specific warnings. */ QStringList warningList() const { return m_warnings; } public slots: /** * Enable/disable debugging. */ void setDebug(bool d); private: QtGui::PythonScript* m_interpreter; void setDefaultPythonInterpreter(); QByteArray execute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()) const; bool parseJson(const QByteArray& json, QJsonDocument& doc) const; QString processErrorString(const QProcess& proc) const; bool insertMolecule(QJsonObject& json, const Core::Molecule& mol) const; QString generateCoordinateBlock(const QString& spec, const Core::Molecule& mol) const; void replaceKeywords(QString& str, const Core::Molecule& mol) const; bool parseHighlightStyles(const QJsonArray& json) const; bool parseRules(const QJsonArray& json, QtGui::GenericHighlighter& highligher) const; bool parseFormat(const QJsonObject& json, QTextCharFormat& format) const; bool parsePattern(const QJsonValue& json, QRegularExpression& pattern) const; // File extension of requested molecule format mutable QString m_moleculeExtension; mutable QString m_displayName; mutable QJsonObject m_options; mutable QStringList m_warnings; mutable QStringList m_errors; QStringList m_filenames; QString m_mainFileName; QMap m_files; QMap m_fileHighlighters; mutable QMap m_highlightStyles; }; inline bool InputGenerator::isValid() const { displayName(); return !hasErrors(); } } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INPUTGENERATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgeneratordialog.cpp000066400000000000000000000040721516317240700302320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "inputgeneratordialog.h" #include "ui_inputgeneratordialog.h" #include "inputgeneratorwidget.h" namespace Avogadro::MoleQueue { using QtGui::Molecule; InputGeneratorDialog::InputGeneratorDialog(QWidget* parent_) : QDialog(parent_), ui(new Ui::InputGeneratorDialog) { ui->setupUi(this); connect(ui->widget, SIGNAL(closeClicked()), SLOT(accept())); } InputGeneratorDialog::InputGeneratorDialog(const QString& scriptFileName, QWidget* parent_) : QDialog(parent_), ui(new Ui::InputGeneratorDialog) { ui->setupUi(this); connect(ui->widget, SIGNAL(closeClicked()), SLOT(accept())); this->setInputGeneratorScript(scriptFileName); } InputGeneratorDialog::~InputGeneratorDialog() { delete ui; } void InputGeneratorDialog::setInputGeneratorScript(const QString& scriptFile) { ui->widget->setInputGeneratorScript(scriptFile); QString displayName(ui->widget->inputGenerator().displayName()); if (displayName.endsWith("…")) displayName.chop(1); else if (displayName.endsWith("...")) displayName.chop(3); if (ui->widget->inputGenerator().hasErrors()) setWindowTitle(tr("Input Generator (error)").arg(displayName)); else setWindowTitle(tr("%1 Input Generator").arg(displayName)); } InputGeneratorWidget& InputGeneratorDialog::widget() { return *ui->widget; } const InputGeneratorWidget& InputGeneratorDialog::widget() const { return *ui->widget; } bool InputGeneratorDialog::configureBatchJob(BatchJob& batch) { ui->widget->setBatchMode(true); auto reply = static_cast(exec()); if (reply != Accepted) return false; return ui->widget->configureBatchJob(batch); } void InputGeneratorDialog::setMolecule(Molecule* mol) { ui->widget->setMolecule(mol); } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgeneratordialog.h000066400000000000000000000055031516317240700276770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_INPUTGENERATORDIALOG_H #define AVOGADRO_MOLEQUEUE_INPUTGENERATORDIALOG_H #include "avogadromolequeueexport.h" #include "inputgeneratorwidget.h" #include #include namespace Avogadro { namespace QtGui { class Molecule; } namespace MoleQueue { class BatchJob; namespace Ui { class InputGeneratorDialog; } class InputGeneratorWidget; /** * @class InputGeneratorDialog inputgeneratordialog.h * * @brief The InputGeneratorDialog class provides a thin wrapper around * InputGeneratorWidget for standalone use. * @sa InputGenerator InputGeneratorWidget */ class AVOGADROMOLEQUEUE_EXPORT InputGeneratorDialog : public QDialog { Q_OBJECT public: explicit InputGeneratorDialog(QWidget* parent_ = nullptr); explicit InputGeneratorDialog(const QString& scriptFileName, QWidget* parent_ = nullptr); ~InputGeneratorDialog() override; /** * Use the input generator script pointed to by scriptFilePath. * @param scriptFilePath Absolute path to generator script. */ void setInputGeneratorScript(const QString& scriptFilePath); /** * @return A reference to the internal InputGeneratorWidget. * @{ */ InputGeneratorWidget& widget(); const InputGeneratorWidget& widget() const; /** @} */ /** * Used to configure batch jobs. * * When performing the same calculation on a number of molecules, this method * will ask the user to configure a calculation using the current molecule and * input generator settings. After the calculation settings are accepted, a * MoleQueueDialog is used to set job options. Both calculation and job * options are stored in the supplied BatchJob object. * * Errors are handled internally. User cancellation is indicated by this * method returning false. * * To submit jobs using the configured options, call BatchJob::submitNextJob * for each molecule. * * Typical usage: ~~~ BatchJob *batch = ...; InputGeneratorDialog dlg(scriptFilePath, windowParent); dlg.setMolecule(&refMol); // Representative molecule as placeholder in GUI. dlg.configureBatchJob(*batch); foreach(mol) batch->submitNextJob(mol); ~~~ */ bool configureBatchJob(BatchJob& batch); public slots: /** * Set the molecule used in the simulation. */ void setMolecule(QtGui::Molecule* mol); private: Ui::InputGeneratorDialog* ui; }; } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INPUTGENERATORDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgeneratordialog.ui000066400000000000000000000015771516317240700300740ustar00rootroot00000000000000 Avogadro::MoleQueue::InputGeneratorDialog 0 0 750 650 Dialog Avogadro::MoleQueue::InputGeneratorWidget QWidget
avogadro/molequeue/inputgeneratorwidget.h
1 OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgeneratorwidget.cpp000066400000000000000000000466261516317240700302710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "inputgeneratorwidget.h" #include "batchjob.h" #include "molequeuedialog.h" #include "molequeuemanager.h" #include "ui_inputgeneratorwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::MoleQueue { InputGeneratorWidget::InputGeneratorWidget(QWidget* parent_) : QtGui::JsonWidget(parent_), m_ui(new Ui::InputGeneratorWidget), m_updatePending(false), m_inputGenerator(QString()) { m_ui->setupUi(this); m_ui->warningTextButton->setIcon(QIcon::fromTheme("dialog-warning")); connectButtons(); } InputGeneratorWidget::~InputGeneratorWidget() { delete m_ui; } void InputGeneratorWidget::setInputGeneratorScript(const QString& scriptFile) { m_inputGenerator.setScriptFilePath(scriptFile); m_ui->debugCheckBox->setChecked(m_inputGenerator.debug()); updateOptions(); resetWarningDisplay(); } void InputGeneratorWidget::reloadOptions() { m_ui->debugCheckBox->setChecked(m_inputGenerator.debug()); updateOptions(); resetWarningDisplay(); } void InputGeneratorWidget::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (mol) { // make sure to call the base class method QtGui::JsonWidget::setMolecule(mol); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updateTitlePlaceholder())); } updateTitlePlaceholder(); updatePreviewTextImmediately(); } bool InputGeneratorWidget::configureBatchJob(BatchJob& batch) const { if (!m_batchMode) return false; QJsonObject mqOpts = promptForBatchJobOptions(); if (mqOpts.empty()) return false; JobObject job; job.fromJson(mqOpts); QJsonObject calcOpts; calcOpts[QLatin1String("options")] = collectOptions(); // Set job description from title: QString description; if (!optionString("Title", description) || description.isEmpty()) description = generateJobTitle(); job.setDescription(description); mqOpts = job.json(); batch.setInputGeneratorOptions(calcOpts); batch.setMoleQueueOptions(mqOpts); return true; } void InputGeneratorWidget::setBatchMode(bool m) { if (m_batchMode != m) { m_batchMode = m; foreach (QTextEdit* edit, m_textEdits) edit->setReadOnly(m_batchMode); m_ui->computeButton->setVisible(!m_batchMode); m_ui->generateButton->setVisible(!m_batchMode); m_ui->closeButton->setText(m_batchMode ? tr("Continue") : tr("Close")); updateTitlePlaceholder(); } } void InputGeneratorWidget::showEvent(QShowEvent* e) { QWidget::showEvent(e); if (m_molecule != nullptr) { int charge = static_cast(m_molecule->totalCharge()); int multiplicity = static_cast(m_molecule->totalSpinMultiplicity()); setOption("Charge", charge); setOption("Multiplicity", multiplicity); } // Update the preview text if an update was requested while hidden. Use a // single shot to allow the dialog to show before popping up any warnings. if (m_updatePending) QTimer::singleShot(0, this, SLOT(updatePreviewTextImmediately())); } void InputGeneratorWidget::updatePreviewText() { if (m_updatePending) return; m_updatePending = true; QTimer::singleShot(250, this, SLOT(updatePreviewTextImmediately())); } void InputGeneratorWidget::updatePreviewTextImmediately() { // If the dialog is not shown, delay the update in case we need to prompt the // user to overwrite changes. Set the m_updatePending flag to true so we'll // know to update in the show event. if (!isVisible()) { m_updatePending = true; return; } // Reset the update throttling m_updatePending = false; // Have any buffers been modified? if (!m_dirtyTextEdits.isEmpty()) { QStringList buffers; foreach (QTextEdit* edit, m_dirtyTextEdits) buffers << m_textEdits.key(edit, tr("Unknown")); QString message = tr("The following file(s) have been modified:\n\n%1\n\n" "Would you like to overwrite your changes to reflect " "the new geometry or job options?", "", buffers.size()) .arg(buffers.join("\n")); int response = QMessageBox::question( this, tr("Overwrite modified input files?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) != QMessageBox::Yes) { // Prevent updates while restoring the option cache: bool oldUpdatePending = m_updatePending; m_updatePending = true; // Restore cached options. applyOptions(m_optionCache); m_updatePending = oldUpdatePending; return; } } if (!m_molecule) return; // Generate the input files QJsonObject inputOptions; inputOptions["options"] = collectOptions(); bool success = m_inputGenerator.generateInput(inputOptions, *m_molecule); if (!m_inputGenerator.warningList().isEmpty()) { QString warningHtml; warningHtml += ""; warningHtml += "

" + tr("Problems occurred during input generation:") + "

"; warningHtml += "
    "; foreach (const QString& warning, m_inputGenerator.warningList()) warningHtml += QString("
  • %1
    • ").arg(warning); warningHtml += "
"; setWarning(warningHtml); } else { resetWarningDisplay(); } if (!success) { showError(m_inputGenerator.errorList().join("\n\n")); m_inputGenerator.clearErrors(); return; } // Store the currently displayed tab QPointer currentWidget(m_ui->tabWidget->currentWidget()); // Ensure that the correct tabs are shown: QStringList fileNames = m_inputGenerator.fileNames(); // Remove unneeded tabs foreach (const QString& tabName, m_textEdits.keys()) { if (!fileNames.contains(tabName)) { QTextEdit* edit = m_textEdits.value(tabName); int index = m_ui->tabWidget->indexOf(edit); m_ui->tabWidget->removeTab(index); m_textEdits.remove(tabName); delete edit; } } // Add new tabs foreach (const QString& fileName, fileNames) { if (m_textEdits.contains(fileName)) continue; auto* edit = new QTextEdit(this); edit->setObjectName(fileName); edit->setFontFamily("monospace"); connect(edit, SIGNAL(textChanged()), this, SLOT(textEditModified())); m_ui->tabWidget->addTab(edit, fileName); m_textEdits.insert(fileName, edit); } // Sort and update int index = 0; foreach (const QString& fileName, fileNames) { QTextEdit* edit = m_textEdits.value(fileName); int tabIndex = m_ui->tabWidget->indexOf(edit); if (tabIndex != index) { m_ui->tabWidget->removeTab(tabIndex); m_ui->tabWidget->insertTab(index, edit, fileName); } QtGui::GenericHighlighter* highlighter = m_inputGenerator.createFileHighlighter(fileName); if (highlighter) { highlighter->setParent(this); highlighter->setDocument(edit->document()); } edit->setText(m_inputGenerator.fileContents(fileName)); edit->document()->setModified(false); ++index; } // Reset dirty buffer list and cached option list m_dirtyTextEdits.clear(); m_optionCache = collectOptions(); // Restore current tab if (!currentWidget.isNull()) m_ui->tabWidget->setCurrentWidget(currentWidget); } void InputGeneratorWidget::defaultsClicked() { setOptionDefaults(); updatePreviewTextImmediately(); } void InputGeneratorWidget::generateClicked() { if (m_textEdits.size() == 1) saveSingleFile(m_textEdits.keys().first()); else if (m_textEdits.size() > 1) saveDirectory(); else showError(tr("No input files to save!")); } void InputGeneratorWidget::computeClicked() { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } // Collect info for the MoleQueueDialog: const QString mainFileName = m_inputGenerator.mainFileName(); QString description; if (!optionString("Title", description) || description.isEmpty()) description = generateJobTitle(); QString coresString; int numCores = optionString("Processor Cores", coresString) ? coresString.toInt() : 1; JobObject job; job.setProgram(m_inputGenerator.displayName()); job.setDescription(description); job.setValue("numberOfCores", numCores); for (QMap::const_iterator it = m_textEdits.constBegin(), itEnd = m_textEdits.constEnd(); it != itEnd; ++it) { const QString& fileName = it.key(); if (fileName != mainFileName) job.appendAdditionalInputFile(fileName, it.value()->toPlainText()); else job.setInputFile(fileName, it.value()->toPlainText()); } MoleQueueDialog::SubmitStatus result = MoleQueueDialog::submitJob( this, tr("Submit %1 Calculation").arg(m_inputGenerator.displayName()), job, MoleQueueDialog::WaitForSubmissionResponse | MoleQueueDialog::SelectProgramFromTemplate); switch (result) { default: case MoleQueueDialog::SubmissionSuccessful: case MoleQueueDialog::SubmissionFailed: case MoleQueueDialog::SubmissionAttempted: case MoleQueueDialog::SubmissionAborted: // The dialog handles these cases adequately, we don't need to do // anything. break; case MoleQueueDialog::JobFailed: // Inform the user: QMessageBox::information(this, tr("Job Failed"), tr("The job did not complete successfully."), QMessageBox::Ok); break; case MoleQueueDialog::JobFinished: // Let the world know that the job is ready to open. job has been // overwritten with the final job details. emit openJobOutput(job); // Hide the parent if it's a dialog: if (auto* dlg = qobject_cast(parent())) dlg->hide(); break; } } void InputGeneratorWidget::setWarning(const QString& warn) { qWarning() << tr("Script returns warnings:\n") << warn; m_ui->warningText->setText(warn); m_ui->warningBox->show(); } void InputGeneratorWidget::toggleWarningText() { if (m_ui->warningText->isVisible()) hideWarningText(); else showWarningText(); } void InputGeneratorWidget::showWarningText() { m_ui->warningText->show(); m_ui->warningTextButton->setText(tr("Hide &Warnings")); } void InputGeneratorWidget::hideWarningText() { m_ui->warningText->hide(); m_ui->warningTextButton->setText(tr("Show &Warnings")); } void InputGeneratorWidget::resetWarningDisplay() { m_ui->warningBox->hide(); showWarningText(); } void InputGeneratorWidget::showError(const QString& err) { qWarning() << err; QWidget* theParent = this->isVisible() ? this : qobject_cast(parent()); QDialog dlg(theParent); auto* vbox = new QVBoxLayout(); auto* label = new QLabel(tr("An error has occurred:")); vbox->addWidget(label); auto* textBrowser = new QTextBrowser(); // adjust the size of the text browser to ~80 char wide, ~20 lines high QSize theSize = textBrowser->sizeHint(); QFontMetrics metrics(textBrowser->currentFont()); int charWidth = metrics.horizontalAdvance("i7OPlmWn9/") / 10; int charHeight = metrics.lineSpacing(); theSize.setWidth(80 * charWidth); theSize.setHeight(20 * charHeight); textBrowser->setMinimumSize(theSize); textBrowser->setText(err); vbox->addWidget(textBrowser); dlg.setLayout(vbox); dlg.exec(); } void InputGeneratorWidget::textEditModified() { if (auto* edit = qobject_cast(sender())) { if (edit->document()->isModified()) { if (!m_dirtyTextEdits.contains(edit)) m_dirtyTextEdits << edit; } else { m_dirtyTextEdits.removeOne(edit); } } } void InputGeneratorWidget::updateTitlePlaceholder() { if (auto* titleEdit = qobject_cast(m_widgets.value("Title", nullptr))) { titleEdit->setPlaceholderText(generateJobTitle()); } } QString InputGeneratorWidget::settingsKey(const QString& identifier) const { return QString("quantumInput/%1/%2") .arg(m_inputGenerator.displayName(), identifier); } void InputGeneratorWidget::saveSingleFile(const QString& fileName) { QSettings settings; QString filePath = settings.value(settingsKey("outputDirectory")).toString(); if (filePath.isEmpty()) filePath = QDir::homePath(); filePath = QFileDialog::getSaveFileName(this, tr("Select output filename"), filePath + "/" + fileName); // User cancel: if (filePath.isNull()) return; settings.setValue(settingsKey("outputDirectory"), QFileInfo(filePath).absoluteDir().absolutePath()); QTextEdit* edit = m_textEdits.value(fileName, nullptr); if (!edit) { showError(tr("Internal error: could not find text widget for filename '%1'") .arg(fileName)); return; } QFile file(filePath); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(edit->toPlainText().toLocal8Bit()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(file.fileName())); } } void InputGeneratorWidget::saveDirectory() { QSettings settings; QString directory = settings.value(settingsKey("outputDirectory")).toString(); if (directory.isEmpty()) directory = QDir::homePath(); directory = QFileDialog::getExistingDirectory( this, tr("Select output directory"), directory); // User cancel: if (directory.isNull()) return; settings.setValue(settingsKey("outputDirectory"), directory); QDir dir(directory); QStringList fileNames = m_textEdits.keys(); // Check for problems: QStringList errors; bool fatalError = false; do { // Do/while to break on fatal errors if (!dir.exists()) { errors << tr("%1: Directory does not exist!").arg(dir.absolutePath()); fatalError = true; break; } if (!dir.isReadable()) { errors << tr("%1: Directory cannot be read!").arg(dir.absolutePath()); fatalError = true; break; } foreach (const QString& fileName, fileNames) { QFileInfo info(dir.absoluteFilePath(fileName)); if (info.exists()) { errors << tr("%1: File will be overwritten.").arg(info.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(info.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(info.absoluteFilePath()); fatalError = true; break; } } } while (false); // only run once // Handle fatal errors: if (fatalError) { QString formattedError; switch (errors.size()) { case 0: formattedError = tr("The input files cannot be written due to an unknown error."); break; case 1: formattedError = tr("The input files cannot be written:\n\n%1").arg(errors.first()); break; default: { // If a fatal error occurred, it will be last one in the list. Pop it // off and tell the user that it was the reason we had to stop. QString fatal = errors.last(); QStringList tmp(errors); tmp.pop_back(); formattedError = tr("The input files cannot be written:\n\n%1\n\nWarnings:\n\n%2") .arg(fatal, tmp.join("\n")); break; } } showError(formattedError); return; } // Non-fatal errors: if (!errors.isEmpty()) { QString formattedError = tr("Warning:\n\n%1\n\nWould you like to continue?") .arg(errors.join("\n")); QMessageBox::StandardButton reply = QMessageBox::warning(this, tr("Write input files"), formattedError, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } foreach (const QString& fileName, fileNames) { QTextEdit* edit = m_textEdits.value(fileName); QFile file(dir.absoluteFilePath(fileName)); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(edit->toPlainText().toLocal8Bit()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(file.fileName())); } } } QJsonObject InputGeneratorWidget::promptForBatchJobOptions() const { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this->parentWidget(), tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return QJsonObject(); } QString coresString; int numCores = optionString("Processor Cores", coresString) ? coresString.toInt() : 1; JobObject job; job.setProgram(m_inputGenerator.displayName()); job.setValue("numberOfCores", numCores); if (!MoleQueueDialog::promptForJobOptions(this->parentWidget(), tr("Configure Job"), job)) { return QJsonObject(); } return job.json(); } void InputGeneratorWidget::connectButtons() { connect(m_ui->debugCheckBox, SIGNAL(toggled(bool)), &m_inputGenerator, SLOT(setDebug(bool))); connect(m_ui->debugCheckBox, SIGNAL(toggled(bool)), SLOT(updatePreviewText())); connect(m_ui->defaultsButton, SIGNAL(clicked()), SLOT(defaultsClicked())); connect(m_ui->generateButton, SIGNAL(clicked()), SLOT(generateClicked())); connect(m_ui->closeButton, SIGNAL(clicked()), SIGNAL(closeClicked())); connect(m_ui->warningTextButton, SIGNAL(clicked()), SLOT(toggleWarningText())); // disable the compute button if Molequeue is not running MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { m_ui->computeButton->setEnabled(false); } else { connect(m_ui->computeButton, SIGNAL(clicked()), SLOT(computeClicked())); } } void InputGeneratorWidget::updateOptions() { m_options = m_inputGenerator.options(); if (m_inputGenerator.hasErrors()) { showError(m_inputGenerator.errorList().join("\n\n")); m_inputGenerator.clearErrors(); } m_centralWidget = m_ui->optionsWidget; // Create the widgets, etc for the gui buildOptionGui(); setOptionDefaults(); } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgeneratorwidget.h000066400000000000000000000141101516317240700277150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_INPUTGENERATORWIDGET_H #define AVOGADRO_MOLEQUEUE_INPUTGENERATORWIDGET_H #include #include #include #include "inputgenerator.h" class QJsonValue; class QTextEdit; class QWidget; class QFormLayout; namespace Avogadro { namespace QtGui { class Molecule; } namespace MoleQueue { class JobObject; namespace Ui { class InputGeneratorWidget; } class BatchJob; /** * @class InputGeneratorWidget inputgeneratorwidget.h * * @brief The InputGeneratorWidget class provides a user interface for * configuring, saving, editing, and running input files produced by * InputGenerator scripts. * @sa InputGenerator InputGeneratorDialog * * The InputGeneratorWidget creates a GUI to represent the options given by an * input generator script, and has some utilities for job submission through * MoleQueue. * * By default, the widget will configure input files for a single molecule, * which can be either written to disk or submitted for processing with * MoleQueue. * * By enabling batch mode (setBatchMode()), the current molecule is used to * configure a calculation for submission to MoleQueue, and the parameters are * saved. These may be used to configure and submit jobs for other molecules. */ class AVOGADROMOLEQUEUE_EXPORT InputGeneratorWidget : public QtGui::JsonWidget { Q_OBJECT public: /** * Construct a widget that dynamically generates a GUI to configure the * InputGenerator script specified by scriptFilePath. */ explicit InputGeneratorWidget(QWidget* parent_ = nullptr); ~InputGeneratorWidget() override; /** * Use the input generator script pointed to by scriptFilePath. * @param scriptFilePath Absolute path to generator script. */ void setInputGeneratorScript(const QString& scriptFilePath); /** * Re-fetch options from the underlying script and rebuild the GUI. * Call this after configuring the interpreter (e.g. for package mode). */ void reloadOptions(); /** * Access to the underlying input generator object. @{ */ InputGenerator& inputGenerator() { return m_inputGenerator; } const InputGenerator& inputGenerator() const { return m_inputGenerator; } /** * @return True if the widget is in batch mode. See the class documentation * for details. Default is false. */ bool batchMode() const { return m_batchMode; } /** * Collect the current calculation parameters and prompt for MoleQueue * options. Both option sets are stored in @a batch. */ bool configureBatchJob(BatchJob& batch) const; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Enable/disable 'template mode'. See the class documentation for details. * Default is off. */ void setBatchMode(bool m); signals: /** * @brief closeClicked is emitted when the close button is clicked. */ void closeClicked(); /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const JobObject& job); protected: /** * Reimplemented to update preview text. Hidden dialogs will wait until they * are reshown to update the text to prevent overwriting any modified buffers. */ void showEvent(QShowEvent* e) override; void updateOptions() override; private slots: /** * Update the input files. This method is throttled, and will only call the * generator script once every 250 milliseconds. */ void updatePreviewText() override; /** * Immediately update the input files, bypassing (and resetting) the throttle * mechanism. */ void updatePreviewTextImmediately(); /** * Triggered when the user resets the default values. */ void defaultsClicked(); /** * Triggered when the user requests that the files are written to disk. */ void generateClicked(); /** * Triggered when the user requests that the simulation is submitted to * MoleQueue. */ void computeClicked(); /** * Show the user an warning. These are messages returned by the input * generator script. */ void setWarning(const QString& warn); /** * Toggle the visibility of the warning text. */ void toggleWarningText(); /** * Show the warning text. */ void showWarningText(); /** * Hide the warning text. */ void hideWarningText(); /** * Hide the warning widget. */ void resetWarningDisplay(); /** * Show the user an error message. These are errors that have occurred * in this extension, not necessarily in the input generator script. */ void showError(const QString& err); /** * Triggered when an input file's text edit is modified. */ void textEditModified(); /** * Generate a job title automatically. */ void updateTitlePlaceholder(); private: /** * Generate a QSettings key with the given identifier that is unique to this * input generator's display name. * @param identifier Setting key, e.g. "outputPath" * @return Script-specific key, e.g. "quantumInput/GAMESS/outputPath" * @todo Display names are not necessarily unique, but paths are too long. * Maybe add a namespace qualifier to the script display names? */ QString settingsKey(const QString& identifier) const; /** * Write the input file(s) to disk. Prompts user for target location. * @{ */ void saveSingleFile(const QString& fileName); void saveDirectory(); /**@}*/ /** Get batch job options from MoleQueueDialog. */ QJsonObject promptForBatchJobOptions() const; /** * Make signal/slot connections. */ void connectButtons(); Ui::InputGeneratorWidget* m_ui; bool m_updatePending; QList m_dirtyTextEdits; InputGenerator m_inputGenerator; }; } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INPUTGENERATORWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/inputgeneratorwidget.ui000066400000000000000000000072171516317240700301150ustar00rootroot00000000000000 Avogadro::MoleQueue::InputGeneratorWidget 0 0 813 650 Form 0 0 Calculation Settings 0 0 Qt::Horizontal 40 20 Placeholder text… true Reset Debug Script… Qt::Horizontal QSizePolicy::MinimumExpanding 13 20 Submit Calculation… Save Input… Close OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuedialog.cpp000066400000000000000000000147601516317240700271720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuedialog.h" #include "molequeuewidget.h" #include "ui_molequeuedialog.h" #include #include #include #include namespace Avogadro::MoleQueue { MoleQueueDialog::MoleQueueDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::MoleQueueDialog) { m_ui->setupUi(this); } MoleQueueDialog::~MoleQueueDialog() { delete m_ui; } MoleQueueDialog::SubmitStatus MoleQueueDialog::submitJob( QWidget* parent_, const QString& caption, JobObject& jobTemplate, SubmitOptions options, unsigned int* moleQueueId, int* submissionRequestId) { // initialize return args if (moleQueueId) *moleQueueId = MoleQueueWidget::InvalidMoleQueueId; if (submissionRequestId) *submissionRequestId = -1; MoleQueueDialog dlg(parent_); dlg.setWindowTitle(caption); dlg.widget().setJobTemplate(jobTemplate); if (options & SelectProgramFromTemplate) dlg.widget().showAndSelectProgram(jobTemplate.program()); for (;;) { int dlgResult = dlg.exec(); if (dlgResult != QDialog::Accepted) return SubmissionAborted; int requestId = dlg.widget().submitJobRequest(); if (options & WaitForSubmissionResponse || dlg.widget().openOutput()) { QProgressDialog progress; progress.setCancelButton(nullptr); progress.setLabelText(tr("Submitting job to MoleQueue…")); progress.setRange(0, 0); progress.setValue(0); progress.show(); QList submittedSignal; submittedSignal << MetaMethod(&dlg.widget(), SIGNAL(jobSubmitted(bool))); if (!dlg.waitForSignal(submittedSignal)) { progress.hide(); QMessageBox::information(&dlg, tr("Job Submission Timeout"), tr("Avogadro timed out waiting for a reply " "from MoleQueue.")); continue; } if (dlg.widget().submissionSuccess()) { if (submissionRequestId != nullptr) *submissionRequestId = dlg.widget().requestId(); if (moleQueueId != nullptr) *moleQueueId = dlg.widget().moleQueueId(); // Do we need to wait for the job to finish? if (!dlg.widget().openOutput()) return SubmissionSuccessful; // Update progress dialog progress.setLabelText(tr("Waiting for job %1 “%2” to finish…", "%1 = job ID, %2 = description") .arg(dlg.widget().moleQueueId()) .arg(jobTemplate.description())); progress.setCancelButtonText(tr("Stop waiting")); // Wait for job completion or progress bar cancellation. QList completionSignals; completionSignals << MetaMethod(&dlg.widget(), SIGNAL(jobFinished(bool))) << MetaMethod(&progress, SIGNAL(canceled())); dlg.waitForSignal(completionSignals, -1); // Did the user cancel? if (progress.wasCanceled()) return SubmissionSuccessful; // Error occurred: if (!dlg.widget().jobSuccess()) return JobFailed; // Update progress bar: progress.setLabelText(tr("Fetching completed job information…")); progress.setCancelButton(nullptr); // Job completed -- overwrite job template with updated job details. connect(&dlg.widget(), SIGNAL(jobUpdated(MoleQueue::JobObject)), &dlg.widget(), SLOT(setJobTemplate(MoleQueue::JobObject))); QList lookupSignal; lookupSignal << MetaMethod(&dlg.widget(), SIGNAL(jobUpdated(MoleQueue::JobObject))); dlg.widget().requestJobLookup(); if (!dlg.waitForSignal(lookupSignal)) { progress.hide(); QMessageBox::information(&dlg, tr("Job Retrieval Timeout"), tr("Avogadro timed out waiting for the " "finished job details from MoleQueue.")); return JobFailed; } jobTemplate = dlg.widget().jobTemplate(); return JobFinished; } else { progress.hide(); QMessageBox::warning( &dlg, tr("Error Submitting Job"), tr("The job has been rejected by MoleQueue: %1", "%1 = error") .arg(dlg.widget().submissionError())); continue; } } else { if (requestId >= 0) { if (submissionRequestId != nullptr) *submissionRequestId = requestId; return SubmissionAttempted; } else { return SubmissionFailed; } } } } bool MoleQueueDialog::promptForJobOptions(QWidget* windowParent, const QString& caption, MoleQueue::JobObject& jobTemplate) { MoleQueueDialog dlg(windowParent); dlg.setWindowTitle(caption); dlg.widget().setBatchMode(true); dlg.widget().setJobTemplate(jobTemplate); if (!jobTemplate.program().isEmpty()) dlg.widget().showAndSelectProgram(jobTemplate.program()); if (static_cast(dlg.exec()) != Accepted) return false; jobTemplate = dlg.widget().configuredJob(); return true; } MoleQueueWidget& MoleQueueDialog::widget() { return *m_ui->widget; } const MoleQueueWidget& MoleQueueDialog::widget() const { return *m_ui->widget; } bool MoleQueueDialog::waitForSignal(const QList& signalList, int msTimeout) const { QEventLoop waiter; foreach (const MetaMethod& sig, signalList) connect(sig.first, sig.second, &waiter, SLOT(quit())); QTimer limiter; if (msTimeout >= 0) { limiter.setSingleShot(true); connect(&limiter, SIGNAL(timeout()), &waiter, SLOT(quit())); limiter.start(msTimeout); } waiter.exec(); return limiter.isActive(); } void MoleQueueDialog::done(int r) { if (r == QDialog::Accepted && !widget().programSelected()) { QMessageBox::information(parentWidget(), tr("No program selected."), tr("Please select the target program from the " "\"Queue and Program\" list.")); } else { QDialog::done(r); } } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuedialog.h000066400000000000000000000134101516317240700266260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEDIALOG_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEDIALOG_H #include "avogadromolequeueexport.h" #include #include namespace Avogadro::MoleQueue { class JobObject; class MoleQueueWidget; namespace Ui { class MoleQueueDialog; } /** * @class MoleQueueDialog molequeuedialog.h * * @brief The MoleQueueDialog class provides a thin wrapper around * MoleQueueWidget for standalone use. * @sa MoleQueueWidget MoleQueueManager */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueDialog : public QDialog { Q_OBJECT public: explicit MoleQueueDialog(QWidget* parent_ = nullptr); ~MoleQueueDialog() override; /** * @brief Options controlling job submission behavior in the submitJob method. */ enum SubmitOption { /** * Keep the dialog open until MoleQueue replies to the submission request. * If a submission error occurs, the user will have to opportunity to fix * it. */ WaitForSubmissionResponse = 0x1, /** * Use the program in the template job to initialize the queue/program view. * All queues containing a matching program will be expanded, and the first * match will be selected. * To match, an existing program must contain the template program string, * and comparisons are case insensitive. */ SelectProgramFromTemplate = 0x2 }; Q_DECLARE_FLAGS(SubmitOptions, SubmitOption) /** * @brief Return values from submitJob indicating result. */ enum SubmitStatus { /** * The job was accepted by MoleQueue. * This can only be returned when WaitForSubmissionResponse IS set as an * option. */ SubmissionSuccessful = 0, /** * The job was not submitted to MoleQueue, likely due to a disconnected * server. * This can only be returned when WaitForSubmissionResponse IS NOT * set as an option. */ SubmissionFailed, /** * The job was submitted to MoleQueue. This can only be returned when * WaitForSubmissionResponse is NOT set as an option. */ SubmissionAttempted, /** * The user canceled the submission. */ SubmissionAborted, /** * The user requested that the job output be opened when finished, but * the job did not finish successfully (the job was either canceled or * failed). */ JobFailed, /** * The user requested that the job output be opened when finished, and * the job completed without error. The jobTemplate argument of * submitJob will be overwritten with the current job details, fetched * from the server after the job enters the "Finished" state. */ JobFinished }; /** * Show a job configuration dialog and let the user submit the job to * MoleQueue. * @param parent_ The parent widget for parenting/layout purposes. * @param caption The dialog title. * @param jobTemplate A template job, used to initialize GUI options. If * the user requests that the job output is opened and the job finishes * successfully, this will be overwritten with the current job details, and * JobFinished is returned. * @param options Bitwise combination of flags that control dialog behavior. * @param moleQueueId If not nullptr, the variable referenced by this pointer * will be overwritten by the MoleQueue Id of the submitted job when the * option WaitForSubmissionResponse is set. * If an error occurs or the required option is not set, this value will be * set to MoleQueueWidget::InvalidMoleQueueId. * @param submissionRequestId If not nullptr, the variable referenced by this * pointer will be overwritten by the submitJob JSON-RPC 2.0 request id. * If an error occurs, this value will be set to -1. * @return A SubmitStatus enum value indicating the result of the submission. */ static SubmitStatus submitJob(QWidget* parent_, const QString& caption, JobObject& jobTemplate, SubmitOptions options, unsigned int* moleQueueId = nullptr, int* submissionRequestId = nullptr); /** * Show a job configuration dialog and collect the user's selected options. * @param windowParent The parent of the dialog window. * @param caption Title of the dialog window. * @param jobTemplate JobObject with initial options. Will be overwritten * with the configured job options. * @return True on success, false otherwise. */ static bool promptForJobOptions(QWidget* windowParent, const QString& caption, JobObject& jobTemplate); /** * @return A reference to the internal MoleQueueWidget instance. * @{ */ MoleQueueWidget& widget(); const MoleQueueWidget& widget() const; /** @} */ public slots: void done(int r) override; private: using MetaMethod = QPair; /** * Wait @a timeout milliseconds for @a source to emit @a signal. * @param signalList List of QObject* and const char* (signals) to listen for. * @param msTimeout Timeout in milliseconds. A negative value will wait * forever. * @return True if a signal in @a signalList is received, false on timeout. */ bool waitForSignal(const QList& signalList, int msTimeout = 5000) const; Ui::MoleQueueDialog* m_ui; }; Q_DECLARE_OPERATORS_FOR_FLAGS(MoleQueueDialog::SubmitOptions) } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuedialog.ui000066400000000000000000000035401516317240700270170ustar00rootroot00000000000000 Avogadro::MoleQueue::MoleQueueDialog 0 0 400 300 Dialog Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok Avogadro::MoleQueue::MoleQueueWidget QWidget
avogadro/molequeue/molequeuewidget.h
1 buttonBox accepted() Avogadro::MoleQueue::MoleQueueDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::MoleQueue::MoleQueueDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuemanager.cpp000066400000000000000000000033471516317240700273440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuemanager.h" namespace Avogadro::MoleQueue { MoleQueueManager* MoleQueueManager::m_instance = nullptr; MoleQueueManager::MoleQueueManager(QObject* parent_) : QObject(parent_), m_client(this), m_queueModel(this) { connect(&m_client, SIGNAL(queueListReceived(QJsonObject)), SLOT(updateQueueModel(QJsonObject))); } MoleQueueManager& MoleQueueManager::instance() { return m_instance ? *m_instance : *(m_instance = new MoleQueueManager()); } bool MoleQueueManager::connectIfNeeded() { return m_client.isConnected() || m_client.connectToServer(); } Client& MoleQueueManager::client() { return m_client; } const Client& MoleQueueManager::client() const { return m_client; } MoleQueueQueueListModel& MoleQueueManager::queueListModel() { return m_queueModel; } bool MoleQueueManager::requestQueueList() { return m_client.isConnected() && m_client.requestQueueList() >= 0; } void MoleQueueManager::updateQueueModel(const QJsonObject& json) { QList queueList; QList programList; foreach (const QString& queue, json.keys()) { queueList.append(queue); programList.append(QStringList()); QStringList& progs = programList.back(); foreach (const QJsonValue& program, json.value(queue).toArray()) { if (program.isString()) progs << program.toString(); } } m_queueModel.setQueueList(queueList, programList); emit queueListUpdated(); } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuemanager.h000066400000000000000000000045501516317240700270060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEMANAGER_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEMANAGER_H #include #include "molequeuequeuelistmodel.h" #include #include "client/client.h" namespace Avogadro::MoleQueue { /** * @class MoleQueueManager molequeuemanager.h * * @brief The MoleQueueManager class provides access to a MoleQueue server. * * This singleton class provides access to a single MoleQueue::Client instance * that can be used to communicate with the server. The available queues and * programs are cached in a MoleQueueQueueListModel (queueListModel()). The * connectIfNeeded convenience function can be used to ensure that the client * is connected before use. */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueManager : public QObject { Q_OBJECT public: explicit MoleQueueManager(QObject* parent_ = nullptr); ~MoleQueueManager() override = default; /** * @return The singleton instance. */ static MoleQueueManager& instance(); /** * Test if the client is connected, and if not, attempt a connection. * @return True if the client is already connected or a new connection has * been successfully created. False if the new connection failed. */ bool connectIfNeeded(); /** * @return A reference to the managed Client instance. * @{ */ Client& client(); const Client& client() const; /** @} */ /** * @return A QAbstractItemModel subclass representing the queue/program tree. */ MoleQueueQueueListModel& queueListModel(); public slots: /** * Request that the cached queue list is updated. * @return True if the request is send successfully. */ bool requestQueueList(); signals: /** * Emitted when the internal queue list is updated. */ void queueListUpdated(); private slots: void updateQueueModel(const QJsonObject& queueList); private: static MoleQueueManager* m_instance; Client m_client; MoleQueueQueueListModel m_queueModel; }; } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEMANAGER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuequeuelistmodel.cpp000066400000000000000000000246341516317240700307750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuequeuelistmodel.h" #include #include namespace Avogadro::MoleQueue { namespace { // Internal id used for queue model indices static const quint32 QueueInternalId(std::numeric_limits::max()); // Internal id used for invalid indices static const quint32 InvalidInternalId(std::numeric_limits::max() - 1); // Maximum assignable internal id. Must be last: static const quint32 MaxInternalId(std::numeric_limits::max() - 2); } // namespace MoleQueueQueueListModel::MoleQueueQueueListModel(QObject* parent_) : QAbstractItemModel(parent_), m_uidCounter(0) { } void MoleQueueQueueListModel::setQueueList(QList queueList, QList programList) { const int numQueues = queueList.size(); if (numQueues != programList.size()) { qWarning() << "Error setting molequeue queuelist data in model: " "number of queues does not match size of program table."; return; } // Sync our data structures with the arguments: int newInd = 0; int oldInd = 0; while (newInd < queueList.size() && oldInd < m_queueList.size()) { const QString& newQueue = queueList[newInd]; const QString& oldQueue = m_queueList[oldInd]; if (newQueue < oldQueue) { const QStringList& newProgs = programList[newInd]; insertQueue(oldInd, newQueue, newProgs); ++oldInd; ++newInd; } else if (oldQueue < newQueue) { removeQueue(oldInd); } else { // newQueue == oldQueue const QStringList& newProgs = programList[newInd]; mergeQueue(oldInd, newProgs); ++oldInd; ++newInd; } } // Add any remaining new queues for (; newInd < queueList.size(); ++newInd, ++oldInd) insertQueue(m_queueList.size(), queueList[newInd], programList[newInd]); // or remove any stale old queues. while (oldInd < m_queueList.size()) removeQueue(oldInd); } QStringList MoleQueueQueueListModel::queues() const { return m_queueList; } QStringList MoleQueueQueueListModel::programs(const QString& queue) const { int ind = m_queueList.indexOf(queue); return ind >= 0 ? m_programList[ind] : QStringList(); } QModelIndexList MoleQueueQueueListModel::findQueueIndices( const QString& filter) const { return match(index(0, 0), Qt::DisplayRole, filter, -1, Qt::MatchContains); } QModelIndexList MoleQueueQueueListModel::findProgramIndices( const QString& programFilter, const QString& queueFilter) const { QModelIndexList result; foreach (const QModelIndex& idx, findQueueIndices(queueFilter)) { result << match(index(0, 0, idx), Qt::DisplayRole, programFilter, -1, Qt::MatchContains); } return result; } bool MoleQueueQueueListModel::lookupProgram(const QModelIndex& idx, QString& queueName, QString& programName) const { QVariant resultVariant = data(idx, QueueProgramRole); if (resultVariant.type() == QVariant::StringList) { QStringList resultList(resultVariant.toStringList()); if (resultList.size() == 2) { queueName = resultList[0]; programName = resultList[1]; return true; } } queueName.clear(); programName.clear(); return false; } QVariant MoleQueueQueueListModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || (role != Qt::DisplayRole && role != QueueProgramRole)) { return QVariant(); } if (isQueueIndex(idx)) { if (role == Qt::DisplayRole) { return m_queueList[idx.row()]; } } else { const int queueIndex(idx.parent().row()); if (queueIndex < m_queueList.size()) { const QStringList& progs(m_programList[queueIndex]); if (idx.row() < progs.size()) { const QString& prog(progs[idx.row()]); switch (role) { case Qt::DisplayRole: return prog; case QueueProgramRole: { QStringList result = m_uidLookup.value( static_cast(idx.internalId()), QStringList()); if (result.size() == 2) return result; break; } default: break; } } } } return QVariant(); } Qt::ItemFlags MoleQueueQueueListModel::flags(const QModelIndex& idx) const { if (!idx.isValid()) return Qt::NoItemFlags; if (isQueueIndex(idx)) return Qt::ItemIsEnabled; else return Qt::ItemIsSelectable | Qt::ItemIsEnabled; } QVariant MoleQueueQueueListModel::headerData(int, Qt::Orientation, int) const { return QVariant(); } QModelIndex MoleQueueQueueListModel::index(int row, int column, const QModelIndex& parent_) const { if (!hasIndex(row, column, parent_)) return QModelIndex(); // Queue Index -- parent is invalid. if (!parent_.isValid() && row < m_queueList.size() && column == 0) { return createIndex(row, column, QueueInternalId); } // Program index else if (isQueueIndex(parent_)) { const QStringList& progs(m_programList[parent_.row()]); if (row < progs.size() && column == 0) { const QString& queue(m_queueList[parent_.row()]); const QString& prog(progs[row]); QStringList val = QStringList() << queue << prog; quint32 key = m_uidLookup.key(val, InvalidInternalId); if (key != InvalidInternalId) return createIndex(row, column, key); } } // fail. return QModelIndex(); } QModelIndex MoleQueueQueueListModel::parent(const QModelIndex& child) const { if (child.isValid()) { const auto childId = static_cast(child.internalId()); // Child is queue -- return invalid parent. if (childId == QueueInternalId) return QModelIndex(); // Child is program -- lookup and return queue index. const int queueRow = programUidToQueueRow(childId); if (queueRow >= 0) return createIndex(queueRow, 0, QueueInternalId); } return QModelIndex(); } int MoleQueueQueueListModel::rowCount(const QModelIndex& parent_) const { // Queue count: if (!parent_.isValid()) return m_queueList.size(); else if (isQueueIndex(parent_)) return m_programList[parent_.row()].size(); return 0; } int MoleQueueQueueListModel::columnCount(const QModelIndex& parent_) const { return (!parent_.isValid() || isQueueIndex(parent_)) ? 1 : 0; } void MoleQueueQueueListModel::insertQueue(int row, const QString& queue, const QStringList& progs) { beginInsertRows(QModelIndex(), row, row); m_queueList.insert(row, queue); m_programList.insert(row, QStringList()); endInsertRows(); beginInsertRows(createIndex(row, 0, QueueInternalId), 0, progs.size() - 1); m_programList[row] = progs; foreach (const QString& progName, progs) m_uidLookup.insert(nextUid(), QStringList() << queue << progName); endInsertRows(); } void MoleQueueQueueListModel::removeQueue(int row) { const QString queue(m_queueList[row]); QStringList& progs = m_programList[row]; beginRemoveRows(createIndex(row, 0, QueueInternalId), 0, progs.size() - 1); foreach (const QString& prog, progs) m_uidLookup.remove(lookupUid(queue, prog)); progs.clear(); endRemoveRows(); beginRemoveRows(QModelIndex(), row, row); m_queueList.removeAt(row); m_programList.removeAt(row); endRemoveRows(); } void MoleQueueQueueListModel::mergeQueue(int row, const QStringList& newProgs) { QStringList& oldProgs(m_programList[row]); int oldInd = 0; int newInd = 0; while (oldInd < oldProgs.size() && newInd < newProgs.size()) { const QString& oldProg(oldProgs[oldInd]); const QString& newProg(newProgs[newInd]); if (newProg < oldProg) { insertProgram(row, oldInd, newProg); ++newInd; ++oldInd; } else if (oldProg < newProg) { removeProgram(row, oldInd); } else { // Program exists ++newInd; ++oldInd; } } // Add any remaining new programs for (; newInd < newProgs.size(); ++newInd, ++oldInd) insertProgram(row, m_programList[row].size(), newProgs[newInd]); // Or remove any old programs. while (oldInd < m_programList[row].size()) removeProgram(row, oldInd); } void MoleQueueQueueListModel::insertProgram(int queueRow, int progRow, const QString& progName) { beginInsertRows(createIndex(queueRow, 0, QueueInternalId), progRow, progRow); m_programList[queueRow].insert(progRow, progName); m_uidLookup.insert(nextUid(), QStringList() << m_queueList[queueRow] << progName); endInsertRows(); } void MoleQueueQueueListModel::removeProgram(int queueRow, int progRow) { beginRemoveRows(createIndex(queueRow, 0, QueueInternalId), progRow, progRow); m_uidLookup.remove(lookupUid(queueRow, progRow)); m_programList[queueRow].removeAt(progRow); endRemoveRows(); } bool MoleQueueQueueListModel::isQueueIndex(const QModelIndex& i) const { return i.isValid() && static_cast(i.internalId()) == QueueInternalId && i.row() < m_queueList.size() && i.column() == 0; } bool MoleQueueQueueListModel::isProgramIndex(const QModelIndex& i) const { return i.isValid() && m_uidLookup.contains(static_cast(i.internalId())); } quint32 MoleQueueQueueListModel::lookupUid(const QString& queue, const QString& prog) { return m_uidLookup.key(QStringList() << queue << prog, InvalidInternalId); } quint32 MoleQueueQueueListModel::lookupUid(const int queueRow, const int progRow) { if (queueRow < m_queueList.size()) { QStringList& progs = m_programList[queueRow]; if (progRow < progs.size()) return lookupUid(m_queueList[queueRow], progs[progRow]); } return InvalidInternalId; } int MoleQueueQueueListModel::programUidToQueueRow(quint32 uid) const { const QStringList val(m_uidLookup.value(uid, QStringList())); if (val.size() == 2) { const QString& queue = val[0]; const int queueRow = m_queueList.indexOf(queue); if (queueRow >= 0) return queueRow; } return -1; } quint32 MoleQueueQueueListModel::nextUid() { if (m_uidCounter++ >= MaxInternalId) m_uidCounter = 0; return m_uidCounter; } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuequeuelistmodel.h000066400000000000000000000121101516317240700304240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEQUEUELISTMODEL_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEQUEUELISTMODEL_H #include "avogadromolequeueexport.h" #include #include // for gtest unit testing access class MoleQueueQueueListModelTestBridge; namespace Avogadro::MoleQueue { class MoleQueueManager; /** * @class MoleQueueQueueListModel molequeuequeuelistmodel.h * * @brief The MoleQueueQueueListModel class is Qt item model representing the * tree of available queues and programs in a running MoleQueue process. * * This class provides access to the available MoleQueue queues and programs in * a convenient tree item model. Resources can be queried directly using the * queues() and programs() methods, or this item model may be used with a Qt * model view class, such a QTreeView. * * QModelIndex objects that match a queue or program node may be found using the * findQueueIndices() and findProgramIndices() methods. A program model index * may be translated into queue and program strings using the lookupProgram() * method. * * An instance of this class is obtained by calling * MoleQueueManager::instance().queueListModel(), and can be updated by calling * MoleQueueManager::instance().requestQueueList() and waiting for the * MoleQueueManager::queueListUpdated() signal. */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueQueueListModel : public QAbstractItemModel { Q_OBJECT public: ~MoleQueueQueueListModel() override = default; /** * @return A list of the available queues. */ QStringList queues() const; /** * @return A list of programs belonging to @a queue. */ QStringList programs(const QString& queue) const; /** * @return A QModelIndexList containing indices for queues that contain the * string @a filter. Matches are case-insensitive. */ QModelIndexList findQueueIndices(const QString& filter = QString()) const; /** * @return A QModelIndexList containing indices for programs that contain the * string @a programFilter and belong to queues that contain @a queueFilter. * Matches are case-insensitive. */ QModelIndexList findProgramIndices( const QString& programFilter = QString(), const QString& queueFilter = QString()) const; /** * Translate a QModelIndex for a program node into queue and program strings. * @param idx The model index. * @param queueName String reference to be overwritten with the queue name. * @param programName String reference to be overwritten with the queue name. * @return True if the index matched a program node, false otherwise. */ bool lookupProgram(const QModelIndex& idx, QString& queueName, QString& programName) const; // QAbstractItemModel virtuals QVariant data(const QModelIndex& idx, int role) const override; Qt::ItemFlags flags(const QModelIndex& idx = QModelIndex()) const override; QVariant headerData(int section, Qt::Orientation orientation, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent_ = QModelIndex()) const override; QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent_ = QModelIndex()) const override; int columnCount(const QModelIndex& parent_ = QModelIndex()) const override; protected: friend class MoleQueueManager; friend class ::MoleQueueQueueListModelTestBridge; /** * Protected constructor. Keeps objects isolated to MoleQueueManager ivars. */ explicit MoleQueueQueueListModel(QObject* parent_ = nullptr); /** * Used to retrieve a QStringList with [queueName, programName] from data() * given a program model index. */ enum { QueueProgramRole = Qt::UserRole }; /** * Merge the queue and program lists with the existing model. */ void setQueueList(QList queueList, QList programList); private: void insertQueue(int row, const QString& queue, const QStringList& progs); void removeQueue(int row); void mergeQueue(int row, const QStringList& newProgs); void insertProgram(int queueRow, int progRow, const QString& progName); void removeProgram(int queueRow, int progRow); bool isQueueIndex(const QModelIndex& i) const; bool isProgramIndex(const QModelIndex& i) const; quint32 lookupUid(const QString& queue, const QString& prog); quint32 lookupUid(const int queueRow, const int progRow); int programUidToQueueRow(quint32 uid) const; quint32 nextUid(); QList m_queueList; QList m_programList; // maps program index internal id to [queueName, programName] QStringList QMap m_uidLookup; quint32 m_uidCounter; }; } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEQUEUELISTMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuewidget.cpp000066400000000000000000000216741516317240700272200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuewidget.h" #include "ui_molequeuewidget.h" #include "molequeuemanager.h" #include #include #include namespace Avogadro::MoleQueue { const unsigned int MoleQueueWidget::InvalidMoleQueueId( std::numeric_limits::max()); MoleQueueWidget::MoleQueueWidget(QWidget* parent_) : QWidget(parent_), m_ui(new Ui::MoleQueueWidget), m_jobState("Unknown"), m_requestId(-1), m_moleQueueId(InvalidMoleQueueId) { m_ui->setupUi(this); connect(m_ui->refreshProgramsButton, SIGNAL(clicked()), SLOT(refreshPrograms())); MoleQueueManager& mqManager = MoleQueueManager::instance(); m_ui->queueListView->setModel(&mqManager.queueListModel()); if (mqManager.connectIfNeeded()) mqManager.requestQueueList(); } MoleQueueWidget::~MoleQueueWidget() { delete m_ui; } JobObject& MoleQueueWidget::jobTemplate() { return m_jobTemplate; } const JobObject& MoleQueueWidget::jobTemplate() const { return m_jobTemplate; } void MoleQueueWidget::setJobTemplate(const JobObject& job) { m_jobTemplate = job; m_ui->numberOfCores->setValue(job.value("numberOfCores", 1).toInt()); m_ui->cleanRemoteFiles->setChecked( job.value("cleanRemoteFiles", false).toBool()); m_ui->hideFromGui->setChecked(job.value("hideFromGui", false).toBool()); m_ui->popupOnStateChange->setChecked( job.value("popupOnStateChange", false).toBool()); } void MoleQueueWidget::refreshPrograms() { MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } mqManager.requestQueueList(); } int MoleQueueWidget::submitJobRequest() { m_submissionError.clear(); m_jobState = "Unknown"; m_requestId = -1; m_moleQueueId = InvalidMoleQueueId; MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) return -1; MoleQueue::JobObject job(configuredJob()); if (job.queue().isEmpty()) // if the queue is not set, the job config failed. return -1; m_requestId = mqManager.client().submitJob(job); if (m_requestId >= 0) { listenForJobSubmitReply(); listenForJobStateChange(); } else { m_submissionError = tr("Client failed to submit job to MoleQueue."); // Single shot ensures that this signal is emitted after control returns // to the event loop QTimer::singleShot(0, this, SIGNAL(jobSubmitted(false))); } return m_requestId; } void MoleQueueWidget::showAndSelectProgram(const QString& programName) { MoleQueueManager& mqManager = MoleQueueManager::instance(); setProperty("selectProgramName", programName); connect(&mqManager, SIGNAL(queueListUpdated()), SLOT(showAndSelectProgramHandler())); if (mqManager.connectIfNeeded()) mqManager.requestQueueList(); } bool MoleQueueWidget::openOutput() const { return m_ui->openOutput->isChecked(); } bool MoleQueueWidget::requestJobLookup() { MoleQueueManager& mqManager = MoleQueueManager::instance(); if (m_moleQueueId != InvalidMoleQueueId && mqManager.connectIfNeeded()) { listenForLookupJobReply(); int reqId = mqManager.client().lookupJob(m_moleQueueId); setProperty("lookupJobRequestId", reqId); return true; } return false; } MoleQueue::JobObject MoleQueueWidget::configuredJob() const { MoleQueueManager& mqManager = MoleQueueManager::instance(); // get queue/program QModelIndexList sel(m_ui->queueListView->selectionModel()->selectedIndexes()); if (sel.size() < 1) { QMessageBox::information(parentWidget(), tr("No program selected."), tr("Please select the target program from the " "\"Queue and Program\" list.")); return MoleQueue::JobObject(); } QString queue; QString program; if (!mqManager.queueListModel().lookupProgram(sel.first(), queue, program)) { QMessageBox::critical(parentWidget(), tr("Internal error."), tr("Unable to resolve program selection. This is " "a bug.")); return MoleQueue::JobObject(); } MoleQueue::JobObject job(m_jobTemplate); job.setQueue(queue); job.setProgram(program); job.setValue("numberOfCores", m_ui->numberOfCores->value()); job.setValue("cleanRemoteFiles", m_ui->cleanRemoteFiles->isChecked()); job.setValue("hideFromGui", m_ui->hideFromGui->isChecked()); job.setValue("popupOnStateChange", m_ui->popupOnStateChange->isChecked()); return job; } void MoleQueueWidget::setBatchMode(bool batch) { m_ui->openOutput->setHidden(batch); m_ui->openOutputLabel->setHidden(batch); } bool MoleQueueWidget::batchMode() const { return m_ui->openOutput->isHidden(); } void MoleQueueWidget::showAndSelectProgramHandler() { MoleQueueManager& mqManager = MoleQueueManager::instance(); const QString program(property("selectProgramName").toString()); setProperty("selectProgramName", QVariant()); disconnect(&mqManager, SIGNAL(queueListUpdated()), this, SLOT(showAndSelectProgramHandler())); // Get all program nodes that match the name QModelIndexList list(mqManager.queueListModel().findProgramIndices(program)); // Expand the corresponding queues foreach (const QModelIndex& mi, list) m_ui->queueListView->expand(mi.parent()); // Select the first entry if (!list.isEmpty()) { m_ui->queueListView->selectionModel()->select( list.first(), QItemSelectionModel::ClearAndSelect); m_ui->queueListView->scrollTo(list.first()); } } void MoleQueueWidget::onLookupJobReply(int reqId, const QJsonObject& result) { QVariant reqIdVariant(property("lookupJobRequestId")); bool ok; int myReqId = reqIdVariant.toInt(&ok); if (ok && reqId == myReqId) { setProperty("lookupJobRequestId", QVariant()); listenForLookupJobReply(false); MoleQueue::JobObject job; job.fromJson(result); emit jobUpdated(job); } } void MoleQueueWidget::onSubmissionSuccess(int localId, unsigned int mqId) { if (localId != m_requestId) return; listenForJobSubmitReply(false); m_moleQueueId = mqId; emit jobSubmitted(true); } void MoleQueueWidget::onSubmissionFailure(int localId, unsigned int, const QString& error) { if (localId != m_requestId) return; listenForJobSubmitReply(false); m_submissionError = error; emit jobSubmitted(false); } void MoleQueueWidget::onJobStateChange(unsigned int mqId, const QString&, const QString& newState) { if (mqId != m_moleQueueId) return; m_jobState = newState; if (m_jobState == QLatin1String("Finished")) { listenForJobStateChange(false); emit jobFinished(true); } else if (m_jobState == QLatin1String("Error") || m_jobState == QLatin1String("Canceled")) { listenForJobStateChange(false); emit jobFinished(false); } } void MoleQueueWidget::listenForLookupJobReply(bool listen) { Client& mqClient(MoleQueueManager::instance().client()); if (listen) { connect(&mqClient, SIGNAL(lookupJobResponse(int, QJsonObject)), this, SLOT(onLookupJobReply(int, QJsonObject))); } else { disconnect(&mqClient, SIGNAL(lookupJobResponse(int, QJsonObject)), this, SLOT(onLookupJobReply(int, QJsonObject))); } } void MoleQueueWidget::listenForJobSubmitReply(bool listen) { MoleQueue::Client& mqClient(MoleQueueManager::instance().client()); if (listen) { connect(&mqClient, SIGNAL(submitJobResponse(int, uint)), this, SLOT(onSubmissionSuccess(int, uint))); connect(&mqClient, SIGNAL(errorReceived(int, uint, QString)), this, SLOT(onSubmissionFailure(int, uint, QString))); } else { disconnect(&mqClient, SIGNAL(submitJobResponse(int, uint)), this, SLOT(onSubmissionSuccess(int, uint))); disconnect(&mqClient, SIGNAL(errorReceived(int, uint, QString)), this, SLOT(onSubmissionFailure(int, uint, QString))); } } void MoleQueueWidget::listenForJobStateChange(bool listen) { MoleQueue::Client& mqClient(MoleQueueManager::instance().client()); if (listen) { connect(&mqClient, SIGNAL(jobStateChanged(uint, QString, QString)), this, SLOT(onJobStateChange(uint, QString, QString))); } else { disconnect(&mqClient, SIGNAL(jobStateChanged(uint, QString, QString)), this, SLOT(onJobStateChange(uint, QString, QString))); } } bool MoleQueueWidget::programSelected() { QModelIndexList sel(m_ui->queueListView->selectionModel()->selectedIndexes()); return sel.size() > 0; } } // namespace Avogadro::MoleQueue OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuewidget.h000066400000000000000000000135121516317240700266550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEWIDGET_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEWIDGET_H #include "avogadromolequeueexport.h" #include #include #include "client/jobobject.h" namespace Avogadro::MoleQueue { namespace Ui { class MoleQueueWidget; } /** * @class MoleQueueWidget molequeuewidget.h * * @brief The MoleQueueWidget class provides a widget for configuring and * submitting a MoleQueue::JobObject. */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueWidget : public QWidget { Q_OBJECT public: explicit MoleQueueWidget(QWidget* parent_ = nullptr); ~MoleQueueWidget() override; /** * A "template" MoleQueue::JobObject that is used to initialize the GUI. * Should be fully configured to submit, as this is used to initialize job * that will be submitted by submitJobRequest. * @{ */ JobObject& jobTemplate(); const JobObject& jobTemplate() const; public slots: void setJobTemplate(const JobObject& job); public: /** @} */ /** * Expand all queue nodes that contain a program that matches @a programName * and select the first matching program node. * Matches are case insensitive. */ void showAndSelectProgram(const QString& programName); /** * @return True if the last submission was successful. Only valid after * jobSubmitted has been emitted. */ bool submissionSuccess() const { return m_moleQueueId != InvalidMoleQueueId; } /** * @return True if the last submission was successful. Only valid after * jobSubmitted has been emitted. */ QString jobState() const { return m_jobState; } /** * @return True if the job has finished running. */ bool jobCompleted() const { return (m_jobState == QLatin1String("Finished") || m_jobState == QLatin1String("Error") || m_jobState == QLatin1String("Canceled")); } /** * @return true if the job completed without error. */ bool jobSuccess() const { return m_jobState == QLatin1String("Finished"); } /** * @return The request id associated with the last call to submitJobRequest. * -1 if there was a submission error. */ int requestId() const { return m_requestId; } /** * Indicates an invalid MoleQueue ID in the moleQueueId() result. */ static const unsigned int InvalidMoleQueueId; /** * @return The MoleQueue ID associated with the last submitJobRequest() call. * Only valid after jobSubmitted has been emitted. * @note If an error occurs, InvalidMoleQueueId will be returned. */ unsigned int moleQueueId() const { return m_moleQueueId; } /** * @return A string describing the submission error when submissionSuccess() * return false. */ QString submissionError() const { return m_submissionError; } /** * @return True if the user has requested that the output file be opened when * the calculation completes. */ bool openOutput() const; /** * @brief Request the current state of the job identified by moleQueueId() * from the server. The result will be emitted in the jobUpdated() signal. * @return True if moleQueueId() is valid and the server is connected, false * if the request cannot be sent. */ bool requestJobLookup(); /** * If the widget is in 'batch mode', options that don't make sense are hidden * (such as 'open output when finished'). */ void setBatchMode(bool batch); bool batchMode() const; /**@}*/ /** * @return True if the user has selected a program, false otherwise. */ bool programSelected(); /** * @return A JobObject with the GUI options. Any settings in jobTemplate that * are not handled by the GUI are passed through untouched to the new object. */ JobObject configuredJob() const; public slots: /** * Query the MoleQueue server (if available) for the list of available queues * and programs. */ void refreshPrograms(); /** * Submit the job returned by configuredJob() to MoleQueue. * @return The request id associated with the submission, or -1 on error. * @note The result of the submission request can be checked by monitoring * jobSubmitted, which will always be emitted after this slot is called. */ int submitJobRequest(); signals: /** * Emitted after a call to submitJobRequest * @param success True if the job has been accepted by MoleQueue. */ void jobSubmitted(bool success); /** * Emitted after jobSubmitted is emitted and the job completes. * @param success True if the job enters the "Finished" state. False if the * job enters the "Canceled" or "Error" states. */ void jobFinished(bool success); /** * Emitted after a successful call to requestJobLookup(). * @param job The result of the lookupJob() RPC query. */ void jobUpdated(const JobObject& job); private slots: void showAndSelectProgramHandler(); void onLookupJobReply(int reqId, const QJsonObject& result); void onSubmissionSuccess(int localId, unsigned int moleQueueId); void onSubmissionFailure(int localId, unsigned int, const QString& error); void onJobStateChange(unsigned int mqId, const QString& oldState, const QString& newState); private: void listenForLookupJobReply(bool listen = true); void listenForJobSubmitReply(bool listen = true); void listenForJobStateChange(bool listen = true); Ui::MoleQueueWidget* m_ui; JobObject m_jobTemplate; QString m_jobState; QString m_submissionError; int m_requestId; unsigned int m_moleQueueId; }; } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/molequeue/molequeuewidget.ui000066400000000000000000000150541516317240700270460ustar00rootroot00000000000000 Avogadro::MoleQueue::MoleQueueWidget 0 0 618 300 Form 0 0 Queue and Program: Qt::Horizontal 40 20 Refresh 0 0 QFormLayout::AllNonFixedFieldsGrow Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0 0 <html><head/><body><p>Number of processor cores to reserve for this job.</p></body></html> Processor cores: numberOfCores 1 65536 Qt::Horizontal 40 20 <html><head/><body><p>Delete remote working files upon job completion. Results will still be copied to the local MoleQueue job cache first.</p></body></html> Delete remote files when finished: cleanRemoteFiles <html><head/><body><p>Check to prevent this job from showing up in the MoleQueue GUI by default.</p></body></html> Hide job in MoleQueue: hideFromGui <html><head/><body><p>Show a system popup notification when the job's status changes.</p></body></html> Show progress notifications: popupOnStateChange Open output when finished: openOutput refreshProgramsButton queueListView numberOfCores cleanRemoteFiles hideFromGui popupOnStateChange openOutput OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/000077500000000000000000000000001516317240700224255ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/CMakeLists.txt000066400000000000000000000065361516317240700251770ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Widgets Concurrent REQUIRED) endif() # Provide some simple API to find the plugins, scripts, etc. if(APPLE) # It is a special case, the app bundle logic breaks the relative pathing. add_definitions(-DAvogadroLibs_LIB_DIR=\"lib\") add_definitions(-DAvogadroLibs_DATA_DIR=\"share\") else() add_definitions(-DAvogadroLibs_LIB_DIR=\"${INSTALL_LIBRARY_DIR}\") add_definitions(-DAvogadroLibs_DATA_DIR=\"${INSTALL_DATA_DIR}\") endif() if(USE_SPGLIB) add_definitions(-DUSE_SPGLIB) endif() # Find python for input generator scripts: find_package(Python3 COMPONENTS Interpreter) file(WRITE "${CMAKE_CURRENT_BINARY_DIR}/avogadropython.h.in" "namespace Avogadro { static const char *pythonInterpreterPath = \"${Python3_EXECUTABLE}\"; } ") configure_file("${CMAKE_CURRENT_BINARY_DIR}/avogadropython.h.in" "${CMAKE_CURRENT_BINARY_DIR}/avogadropython.h") add_library(QtGui) if(USE_PLOTTER) find_package(JKQTPlotter${QT_VERSION} REQUIRED) endif() avogadro_headers(QtGui backgroundfileformat.h calcworker.h colorbutton.h containerwidget.h customelementdialog.h elementtranslator.h extensionplugin.h filebrowsewidget.h fileformatdialog.h gaussiansetconcurrent.h generichighlighter.h hydrogentools.h insertfragmentdialog.h interfacescript.h interfacewidget.h jsonwidget.h layermodel.h rwlayermanager.h meshgenerator.h molecule.h moleculemodel.h multiviewwidget.h packagemanager.h periodictableview.h tomlparse.h persistentatom.h persistentbond.h pluginlayermanager.h pythonscript.h richtextdelegate.h rwmolecule.h sceneplugin.h scenepluginmodel.h slatersetconcurrent.h sortfiltertreeproxymodel.h timedprogressdialog.h toolplugin.h utilities.h viewfactory.h ) target_sources(QtGui PRIVATE backgroundfileformat.cpp calcworker.cpp colorbutton.cpp containerwidget.cpp customelementdialog.cpp elementdetail_p.cpp elementitem_p.cpp elementtranslator.cpp extensionplugin.cpp filebrowsewidget.cpp fileformatdialog.cpp gaussiansetconcurrent.cpp generichighlighter.cpp hydrogentools.cpp insertfragmentdialog.cpp interfacescript.cpp interfacewidget.cpp jsonwidget.cpp layermodel.cpp richtextdelegate.cpp rwlayermanager.cpp meshgenerator.cpp molecule.cpp moleculemodel.cpp multiviewwidget.cpp packagemanager.cpp periodictablescene_p.cpp tomlparse.cpp periodictableview.cpp pluginlayermanager.cpp pythonscript.cpp rwmolecule.cpp sceneplugin.cpp scenepluginmodel.cpp slatersetconcurrent.cpp sortfiltertreeproxymodel.cpp timedprogressdialog.cpp toolplugin.cpp utilities.cpp viewfactory.cpp ) set(UIS customelementdialog.ui insertfragmentdialog.ui ) qt_wrap_ui(UI_SOURCES ${UIS}) target_sources(QtGui PRIVATE ${UI_SOURCES}) set(RCS qtgui.qrc ) qt_add_resources(RC_SOURCES ${RCS}) target_sources(QtGui PRIVATE ${RC_SOURCES}) if(USE_PLOTTER) avogadro_headers(QtGui chartdialog.h chartwidget.h ) target_sources(QtGui PRIVATE chartdialog.cpp chartwidget.cpp ) endif() avogadro_add_library(QtGui) target_link_libraries(QtGui PUBLIC Avogadro::IO Avogadro::Calc Qt::Widgets Qt::Concurrent PRIVATE tomlplusplus::tomlplusplus) if(USE_PLOTTER) target_link_libraries(QtGui PUBLIC JKQTPlotter${QT_VERSION}::JKQTPlotter${QT_VERSION}) target_compile_definitions(QtGui PUBLIC USE_PLOTTER) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/backgroundfileformat.cpp000066400000000000000000000034401516317240700273220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "backgroundfileformat.h" #include namespace Avogadro::QtGui { BackgroundFileFormat::BackgroundFileFormat(Io::FileFormat* format, QObject* parent) : QObject(parent), m_format(format), m_molecule(nullptr), m_success(false) { } BackgroundFileFormat::~BackgroundFileFormat() { delete m_format; } void BackgroundFileFormat::read() { m_success = false; m_error.clear(); if (!m_molecule) m_error = tr("No molecule set in BackgroundFileFormat!"); if (!m_format) m_error = tr("No Io::FileFormat set in BackgroundFileFormat!"); if (m_fileName.isEmpty()) m_error = tr("No file name set in BackgroundFileFormat!"); if (m_error.isEmpty()) { m_success = m_format->readFile(m_fileName.toLocal8Bit().data(), *m_molecule); if (!m_success) m_error = QString::fromStdString(m_format->error()); } emit finished(); } void BackgroundFileFormat::write() { m_success = false; m_error.clear(); if (!m_molecule) m_error = tr("No molecule set in BackgroundFileFormat!"); if (!m_format) m_error = tr("No Io::FileFormat set in BackgroundFileFormat!"); if (m_fileName.isEmpty()) m_error = tr("No file name set in BackgroundFileFormat!"); if (m_error.isEmpty()) { m_success = m_format->writeFile(m_fileName.toLocal8Bit().data(), *m_molecule); if (!m_success) m_error = QString::fromStdString(m_format->error()); } emit finished(); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/backgroundfileformat.h000066400000000000000000000043261516317240700267730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_BACKGROUNDFILEFORMAT_H #define AVOGADRO_QTGUI_BACKGROUNDFILEFORMAT_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Io { class FileFormat; } namespace QtGui { /** * @brief The BackgroundFileFormat class provides a thin QObject wrapper around * an instance of Io::FileFormat. */ class AVOGADROQTGUI_EXPORT BackgroundFileFormat : public QObject { Q_OBJECT public: /** * This class takes ownership of @a format and will delete it when destructed. */ explicit BackgroundFileFormat(Io::FileFormat* format, QObject* parent = nullptr); ~BackgroundFileFormat() override; /** * The molecule instance to read/write. * @{ */ void setMolecule(Core::Molecule* mol) { m_molecule = mol; } Core::Molecule* molecule() const { return m_molecule; } /**@}*/ /** * The name of the file to read/write. * @{ */ void setFileName(const QString& filename) { m_fileName = filename; } QString fileName() const { return m_fileName; } /**@}*/ /** * The Io::FileFormat to use. */ Io::FileFormat* fileFormat() const { return m_format; } /** * @return True if the operation was successful. */ bool success() const { return m_success; } /** * @return An error string, set if success() is false. */ QString error() const { return m_error; } signals: /** * Emitted when a call to read or write is called. */ void finished(); public slots: /** * Use the fileFormat() to read fileName() into molecule(). */ void read(); /** * Use the fileFormat() to write fileName() from molecule(). */ void write(); private: Io::FileFormat* m_format; Core::Molecule* m_molecule; QString m_fileName; QString m_error; bool m_success; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_BACKGROUNDFILEFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/calcworker.cpp000066400000000000000000000060011516317240700252620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "calcworker.h" #include #include namespace Avogadro::QtGui { CalcWorker::CalcWorker(QObject* parent) : QObject(parent) { static bool registered = false; if (!registered) { qRegisterMetaType("Eigen::VectorXd"); qRegisterMetaType("Avogadro::Core::Molecule"); qRegisterMetaType( "Avogadro::Calc::OptimizationOptions"); qRegisterMetaType>( "std::vector"); qRegisterMetaType( "Avogadro::Calc::EnergyCalculator*"); registered = true; } } CalcWorker::~CalcWorker() = default; void CalcWorker::initCalculator(Calc::EnergyCalculator* calculator, Core::Molecule molSnapshot, Eigen::VectorXd mask, std::vector constraints) { m_cancelled = false; m_calc.reset(calculator); m_molSnapshot = std::move(molSnapshot); // setMolecule on this thread so QProcess gets correct affinity m_calc->setMolecule(&m_molSnapshot); m_calc->setMask(mask); m_calc->setConstraints(constraints); emit calculatorReady(); } void CalcWorker::runOptimizeChunk(Eigen::VectorXd positions, Calc::OptimizationOptions options) { if (!m_calc || m_cancelled) { emit optimizeFinished(positions, Eigen::VectorXd(), 0.0, true); return; } bool ok = Calc::optimizeSteps(*m_calc, positions, options); if (m_cancelled) { emit optimizeFinished(positions, Eigen::VectorXd(), 0.0, true); return; } Eigen::VectorXd gradient = Eigen::VectorXd::Zero(positions.size()); double energy = m_calc->evaluate(positions, &gradient); emit optimizeFinished(positions, gradient, energy, !ok); } void CalcWorker::runEvaluate(Eigen::VectorXd positions, bool computeGradient) { if (!m_calc || m_cancelled) { emit evaluateFinished(Eigen::VectorXd(), 0.0); return; } Eigen::VectorXd gradient; Eigen::VectorXd* gradPtr = nullptr; if (computeGradient) { gradient = Eigen::VectorXd::Zero(positions.size()); gradPtr = &gradient; } double energy = m_calc->evaluate(positions, gradPtr); emit evaluateFinished(gradient, energy); } void CalcWorker::runGradient(Eigen::VectorXd positions) { if (!m_calc || m_cancelled) { emit evaluateFinished(Eigen::VectorXd(), 0.0); return; } Eigen::VectorXd gradient = Eigen::VectorXd::Zero(positions.size()); double energy = m_calc->evaluate(positions, &gradient); emit evaluateFinished(gradient, energy); } void CalcWorker::cancel() { m_cancelled = true; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/calcworker.h000066400000000000000000000104511516317240700247330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CALCWORKER_H #define AVOGADRO_QTGUI_CALCWORKER_H #include "avogadroqtguiexport.h" #include #include #include #include #include #include #include #include #include #include #include Q_DECLARE_METATYPE(Eigen::VectorXd) Q_DECLARE_METATYPE(Avogadro::Core::Molecule) Q_DECLARE_METATYPE(Avogadro::Calc::OptimizationOptions) Q_DECLARE_METATYPE(std::vector) Q_DECLARE_METATYPE(Avogadro::Calc::EnergyCalculator*) namespace Avogadro { namespace QtGui { /** * @class CalcWorker calcworker.h * @brief Worker object that runs EnergyCalculator computations on a * dedicated QThread. * * The worker owns a cloned EnergyCalculator and a Core::Molecule snapshot. * All heavy computation (energy, gradient, optimization steps) happens on * the worker thread; results are delivered back to the main thread via * queued signal/slot connections. * * Typical usage: * @code * auto* thread = new QThread; * auto* worker = new CalcWorker; * worker->moveToThread(thread); * connect(thread, &QThread::finished, worker, &QObject::deleteLater); * connect(thread, &QThread::finished, thread, &QObject::deleteLater); * thread->start(); * * // Initialize calculator on the worker thread (important for QProcess) * QMetaObject::invokeMethod(worker, "initCalculator", * Qt::QueuedConnection, * Q_ARG(Avogadro::Calc::EnergyCalculator*, calc), * Q_ARG(Avogadro::Core::Molecule, molSnapshot), * Q_ARG(Eigen::VectorXd, mask), * Q_ARG(std::vector, constraints)); * @endcode */ class AVOGADROQTGUI_EXPORT CalcWorker : public QObject { Q_OBJECT public: explicit CalcWorker(QObject* parent = nullptr); ~CalcWorker() override; signals: /** * Emitted after each optimization chunk completes. * @param positions The updated coordinate vector. * @param gradient The gradient at the new positions. * @param energy The energy at the new positions. * @param converged True if optimization could not continue. */ void optimizeFinished(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged); /** * Emitted after a one-shot energy/gradient evaluation. * @param gradient The gradient vector (empty if not requested). * @param energy The computed energy. */ void evaluateFinished(Eigen::VectorXd gradient, double energy); /** * Emitted when the calculator has been initialized on the worker thread. */ void calculatorReady(); public slots: /** * Initialize the calculator on the worker thread. * This MUST be called via queued connection so that setMolecule() * runs on the worker thread (required for QProcess affinity in * ScriptEnergy/OBMMEnergy). * * Takes ownership of @p calculator. */ void initCalculator(Avogadro::Calc::EnergyCalculator* calculator, Avogadro::Core::Molecule molSnapshot, Eigen::VectorXd mask, std::vector constraints); /** * Run a chunk of optimization iterations. */ void runOptimizeChunk(Eigen::VectorXd positions, Avogadro::Calc::OptimizationOptions options); /** * Run a one-shot energy and optionally gradient evaluation. */ void runEvaluate(Eigen::VectorXd positions, bool computeGradient); /** * Run a one-shot gradient evaluation. */ void runGradient(Eigen::VectorXd positions); /** * Request cancellation of the current computation. * Thread-safe: can be called from any thread. */ void cancel(); private: std::unique_ptr m_calc; Core::Molecule m_molSnapshot; std::atomic m_cancelled{ false }; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_CALCWORKER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/chartdialog.cpp000066400000000000000000000016141516317240700254140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "chartdialog.h" #include "chartwidget.h" #include namespace Avogadro::QtGui { ChartDialog::ChartDialog(QWidget* p) : QDialog(p), m_chartWidget(new ChartWidget(this)) { auto* layout = new QVBoxLayout(); layout->addWidget(m_chartWidget); layout->setContentsMargins(0, 0, 0, 0); setLayout(layout); } ChartDialog::~ChartDialog() = default; ChartWidget* ChartDialog::chartWidget() { return m_chartWidget; } QSize ChartDialog::sizeHint() const { return QSize(600, 400); } QSize ChartDialog::minimumSizeHint() const { return QSize(200, 200); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/chartdialog.h000066400000000000000000000022171516317240700250610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CHARTDIALOG_H #define AVOGADRO_QTGUI_CHARTDIALOG_H #include "avogadroqtguiexport.h" #include namespace Avogadro::QtGui { class ChartWidget; /** * @brief The ChartDialog class provides a dialog window for * displaying a chart via ChartWidget. * * If you wish to have more control over the chart, use ChartWidget directly * in your dialog. */ class AVOGADROQTGUI_EXPORT ChartDialog : public QDialog { Q_OBJECT public: explicit ChartDialog(QWidget* p = nullptr); ~ChartDialog() override; ChartWidget* chartWidget(); /** * @return the current size hint for the dialog */ QSize sizeHint() const override; /** * @return the minimum size for the dialog */ QSize minimumSizeHint() const override; private: ChartWidget* m_chartWidget; }; } // namespace Avogadro::QtGui #endif // AVOGADRO_CHARTDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/chartwidget.cpp000066400000000000000000000247021516317240700254430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "chartwidget.h" #include #include #include #include #include #include namespace Avogadro::QtGui { class ChartWidget::ChartWidgetImpl { public: ChartWidgetImpl() { plot = new JKQTPlotter; updateAxisColorsForTheme(); } ~ChartWidgetImpl() { delete plot; } ChartWidgetImpl(const ChartWidgetImpl&) = delete; ChartWidgetImpl& operator=(const ChartWidgetImpl&) = delete; ChartWidgetImpl(ChartWidgetImpl&&) = delete; ChartWidgetImpl& operator=(ChartWidgetImpl&&) = delete; void updateAxisColorsForTheme() { const QPalette defaultPalette; // is the text lighter than the window color? bool darkMode = (defaultPalette.color(QPalette::WindowText).lightness() > defaultPalette.color(QPalette::Window).lightness()); QColor textColor = darkMode ? Qt::white : Qt::black; plot->getXAxis()->setTickLabelColor(textColor); plot->getYAxis()->setTickLabelColor(textColor); plot->getXAxis()->setLabelColor(textColor); plot->getYAxis()->setLabelColor(textColor); } JKQTPlotter* plot; // widget }; ChartWidget::ChartWidget(QWidget* p) : QWidget(p), m_impl(new ChartWidgetImpl) { auto hLayout = new QHBoxLayout(this); auto* plot = m_impl->plot; // connect the single-click and double-click signals connect(plot, &JKQTPlotter::plotMouseClicked, this, &ChartWidget::plotClicked); connect(plot, &JKQTPlotter::plotMouseDoubleClicked, this, &ChartWidget::resetZoom); hLayout->setContentsMargins(0, 0, 0, 0); hLayout->addWidget(plot); setLayout(hLayout); setMinimumWidth(100); setMinimumHeight(100); } ChartWidget::~ChartWidget() = default; bool ChartWidget::addPlot(const std::vector& x, const std::vector& y, const std::array& color, const QString& xName, const QString& yName) { // The x and y arrays must be of the same length, otherwise it is not x, y... if (x.size() != y.size()) return false; auto* plot = m_impl->plot; if (plot == nullptr) return false; auto* ds = plot->getDatastore(); size_t columnX = ds->addCopiedColumn(x, xName); size_t columnY = ds->addCopiedColumn(y, yName); JKQTPXYLineGraph* graph = new JKQTPXYLineGraph(plot); graph->setXColumn(columnX); graph->setYColumn(columnY); if (!m_showPoints) graph->setSymbolType(JKQTPNoSymbol); else graph->setSymbolType(JKQTPFilledCircle); graph->setLineWidth(m_lineWidth); QColor c(color[0], color[1], color[2], color[3]); graph->setLineColor(c, color[3] / 255.0); graph->setTitle(yName); plot->addGraph(graph); return true; } bool ChartWidget::addSeries(const std::vector& newSeries, const std::array& color, const QString& name) { if (newSeries.empty()) return false; auto* plot = m_impl->plot; if (plot == nullptr) return false; auto* ds = plot->getDatastore(); // get the x column size_t maxRows = ds->getMaxRows(); if (newSeries.size() != maxRows) return false; size_t columnY = ds->addCopiedColumn(newSeries, name); JKQTPXYLineGraph* graph = new JKQTPXYLineGraph(plot); graph->setXColumn(0); graph->setYColumn(columnY); if (!m_showPoints) graph->setSymbolType(JKQTPNoSymbol); else graph->setSymbolType(JKQTPFilledCircle); graph->setLineWidth(m_lineWidth); QColor c(color[0], color[1], color[2], color[3]); graph->setLineColor(c, color[3] / 255.0); graph->setTitle(name); plot->addGraph(graph); return true; } bool ChartWidget::addPlots(const std::vector>& plotData, const std::array& color, const QStringList& names) { // Need at least an x and a y. if (plotData.size() < 2) return false; // All arrays must be the same size to go in the same table. auto xSize = plotData[0].size(); for (const auto& d : plotData) if (xSize != d.size()) return false; // check to make sure names is the same size as plotData if (names.size() != plotData.size()) return false; auto* plot = m_impl->plot; if (plot == nullptr) return false; auto* ds = plot->getDatastore(); const QString xName = names[0]; size_t columnX = ds->addCopiedColumn(plotData[0], xName); QColor c(color[0], color[1], color[2], color[3]); // loop through the columns for (size_t i = 1; i < plotData.size(); i++) { const QString yName = names[i]; size_t columnY = ds->addCopiedColumn(plotData[i], yName); JKQTPXYLineGraph* graph = new JKQTPXYLineGraph(plot); graph->setXColumn(columnX); graph->setYColumn(columnY); if (!m_showPoints) graph->setSymbolType(JKQTPNoSymbol); else graph->setSymbolType(JKQTPFilledCircle); graph->setLineWidth(m_lineWidth); graph->setLineColor(c, color[3] / 255.0); graph->setTitle(yName); plot->addGraph(graph); } return true; } void ChartWidget::changeEvent(QEvent* event) { if (event->type() == QEvent::PaletteChange) { m_impl->updateAxisColorsForTheme(); m_impl->plot->update(); } QWidget::changeEvent(event); } void ChartWidget::resetZoom() { m_impl->plot->zoomToFit(); } void ChartWidget::plotClicked(double x, double y, Qt::KeyboardModifiers modifiers, Qt::MouseButton button) { emit clicked(x, y, modifiers); } void ChartWidget::clearPlots() { m_impl->plot->clearGraphs(); m_impl->plot->getDatastore()->clear(); } void ChartWidget::setXAxisTitle(const QString& title) { QString label = QString("{\\bf %1 }").arg(title); m_impl->plot->getXAxis()->setAxisLabel(label); } void ChartWidget::setYAxisTitle(const QString& title) { QString label = QString("{\\bf %1 }").arg(title); m_impl->plot->getYAxis()->setAxisLabel(label); } void ChartWidget::setFontSize(int size) { auto* plot = m_impl->plot; plot->getXAxis()->setTickLabelFontSize(size); plot->getYAxis()->setTickLabelFontSize(size); int titleSize = round(size * 1.25); plot->getXAxis()->setLabelFontSize(titleSize); plot->getYAxis()->setLabelFontSize(titleSize); } void ChartWidget::setLineWidth(float width) { m_lineWidth = width; for (auto* g : m_impl->plot->getGraphs()) { auto* lineGraph = dynamic_cast(g); if (lineGraph != nullptr) lineGraph->setLineWidth(m_lineWidth); } // redraw m_impl->plot->update(); } void ChartWidget::setAxisColor(Axis a, const color4ub& color) { QColor c(color[0], color[1], color[2], color[3]); if (a == Axis::x) { m_impl->plot->getXAxis()->setAxisColor(c); } else { m_impl->plot->getYAxis()->setAxisColor(c); } } void ChartWidget::setBackgroundColor(const color4ub& color) { QColor c(color[0], color[1], color[2], color[3]); m_impl->plot->getPlotter()->setPlotBackgroundColor(c); } void ChartWidget::setLegendLocation(LegendLocation location) { m_impl->plot->getPlotter()->setShowKey(true); switch (location) { case LegendLocation::TopLeft: m_impl->plot->getPlotter()->setKeyPosition(JKQTPKeyInsideTopLeft); break; case LegendLocation::TopRight: m_impl->plot->getPlotter()->setKeyPosition(JKQTPKeyInsideTopRight); break; case LegendLocation::BottomLeft: m_impl->plot->getPlotter()->setKeyPosition(JKQTPKeyInsideBottomLeft); break; case LegendLocation::BottomRight: m_impl->plot->getPlotter()->setKeyPosition(JKQTPKeyInsideBottomRight); break; default: m_impl->plot->getPlotter()->setShowKey(false); break; } } void ChartWidget::setTickLabels(Axis a, const std::vector& tickPositions, const QStringList& tickLabels) { // check to see if they're the same size if (tickPositions.size() != tickLabels.size()) return; if (tickPositions.size() == 0) return; JKQTPCoordinateAxis* axis; if (a == Axis::x) { axis = m_impl->plot->getXAxis(); } else { axis = m_impl->plot->getYAxis(); } for (int i = 0; i < tickPositions.size(); i++) { axis->addAxisTickLabel(tickPositions[i], tickLabels[i]); } } void ChartWidget::setAxisLimits(Axis a, float min, float max) { bool inverted = (min > max); if (inverted) std::swap(min, max); if (a == Axis::x) { m_impl->plot->getXAxis()->setRange(min, max); m_impl->plot->getXAxis()->setInverted(inverted); } else { m_impl->plot->getYAxis()->setRange(min, max); m_impl->plot->getYAxis()->setInverted(inverted); } } void ChartWidget::setXAxisLimits(float min, float max) { setAxisLimits(Axis::x, min, max); } void ChartWidget::setYAxisLimits(float min, float max) { setAxisLimits(Axis::y, min, max); } void ChartWidget::setAxisLogScale(Axis a, bool logScale) { if (a == Axis::x) m_impl->plot->getXAxis()->setLogAxis(logScale); else m_impl->plot->getYAxis()->setLogAxis(logScale); } void ChartWidget::setAxisDigits(Axis a, int digits) { if (a == Axis::x) m_impl->plot->getXAxis()->setLabelDigits(digits); else m_impl->plot->getYAxis()->setLabelDigits(digits); } void ChartWidget::labelPeaks(int yColumn, float threshold, int window) { std::vector> peaks; /* auto& x = m_impl->plot->getDatastore()->getColumn(0); auto& y = m_impl->plot->getDatastore()->getColumn(yColumn); const int n = static_cast(y.size()); if (n == 0) return peaks; int i = 0; while (i < n) { if (y[i] <= threshold) { ++i; continue; } // --- We’re inside a peak region --- int regionStart = std::max(0, i - window); int regionEnd = std::min(n - 1, i + window); // Expand region forward while we're above threshold while (regionEnd + 1 < n && y[regionEnd + 1] > threshold) ++regionEnd; // Find max within this region int maxIdx = regionStart; for (int j = regionStart + 1; j <= regionEnd; ++j) { if (y[j] > y[maxIdx]) maxIdx = j; } peaks.emplace_back(x[maxIdx], y[maxIdx]); // Skip past this region to avoid duplicates i = regionEnd + 1; } */ // add them to the plot } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/chartwidget.h000066400000000000000000000146041516317240700251100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CHARTWIDGET_H #define AVOGADRO_QTGUI_CHARTWIDGET_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro::QtGui { /** * @brief A color with 4 unsigned bytes (RGBA) */ typedef std::array color4ub; /** * @class ChartWidget chartwidget.h * @brief A Qt widget for displaying charts via JKQtPlotter * * A wrapper around the JKQtPlotter library, providing a widget * for displaying line charts, with multiple series, configurable * axes, and a legend, etc. */ class AVOGADROQTGUI_EXPORT ChartWidget : public QWidget { Q_OBJECT public: explicit ChartWidget(QWidget* p = nullptr); ~ChartWidget() override; /** * @brief Axis enumeration */ enum class Axis { x, y }; /** * @brief Legend location enumeration, relative to the plot */ enum class LegendLocation { None, TopLeft, TopRight, BottomLeft, BottomRight }; /** * @brief Add a plot to the chart * @param x The x values * @param y The y values * @param color The color of the line * @param xName The name of the x axis * @param yName The name of the y axis * @return True if successful */ bool addPlot(const std::vector& x, const std::vector& y, const color4ub& color = color4ub{ 0, 0, 0, 255 }, const QString& xName = "x", const QString& yName = "y"); /** * @brief Add a series to an existing chart * @param y The y values * @param color The color of the line * @param name The name of the series * @return True if successful */ bool addSeries(const std::vector& y, const color4ub& color = color4ub{ 0, 0, 0, 255 }, const QString& name = ""); /** * @brief Add multiple lines to the chart * @param plotData The data for the plots, column[0] is x, rest are y * @param color The color of the lines * @param names The names of the lines (including for the x axis) * @return True if successful */ bool addPlots(const std::vector>& plotData, const color4ub& color = color4ub{ 0, 0, 0, 255 }, const QStringList& names = {}); /** * @brief Clear all plots and data */ void clearPlots(); /** * @brief Set the title of the x axis * @param title The title */ void setXAxisTitle(const QString& title); /** * @brief Set the title of the y axis * @param title The title */ void setYAxisTitle(const QString& title); /** * @brief Set the custom tick positions and labels for an axis * @param a The axis * @param tickPositions The tick positions * @param tickLabels The tick labels * @return True if successful */ void setTickLabels(Axis a, const std::vector& tickPositions, const QStringList& tickLabels); /** * @brief Set the default axis limits * @param a The axis * @param min The minimum value * @param max The maximum value * @return True if successful * * If minimum is bigger than maximum, the axis will be reversed */ void setAxisLimits(Axis a, float min, float max); /** * @brief Set the default x-axis limits * @param min The minimum value * @param max The maximum value * @return True if successful * * If minimum is bigger than maximum, the axis will be reversed */ void setXAxisLimits(float min, float max); /** * @brief Set the default y-axis limits * @param min The minimum value * @param max The maximum value * @return True if successful * * If minimum is bigger than maximum, the axis will be reversed */ void setYAxisLimits(float min, float max); /** * @brief Set the font size for the ticks and axis titles * @param size The font size * @return True if successful */ void setFontSize(int size = 14); /** * @brief Set the line width of the graph lines (in pt) * @param width The line width * @return True if successful */ void setLineWidth(float width = 1.0); /** * @brief Set to logarithmic scale * @param a The axis * @param logScale True for log scale, false for linear * @return True if successful */ void setAxisLogScale(Axis a, bool logScale); /** * @brief Set the number of digits to display in tick labels * @param a The axis * @param digits The number of digits * @return True if successful */ void setAxisDigits(Axis a, int digits = 2); /** * @brief Label peaks in the plot * @param yColumn The column of the y values * @param threshold The threshold for peak detection * @param windowSize The window size for peak detection (in samples along the * x-axis) */ void labelPeaks(int yColumn = 1, float threshold = 1.0, int windowSize = 5); /** * @brief Set the color of an axis * @param a The axis * @param color The color */ void setAxisColor(Axis a, const color4ub& color); /** * @brief Set the color of the plot area * @param color The color */ void setBackgroundColor(const color4ub& color); /** * @brief Set the location of the legend * @param location The location */ void setLegendLocation(LegendLocation location); /** * @brief Set the visibility of data points * @param visible True to show data points, false to hide them */ void setShowPoints(bool visible) { m_showPoints = visible; } protected: void changeEvent(QEvent* event) override; signals: /** * @brief Emitted when the user single-clicks on the chart */ void clicked(float x, float y, Qt::KeyboardModifiers modifiers); public slots: /** * @brief register a callback for when the user clicks on the chart */ void plotClicked(double x, double y, Qt::KeyboardModifiers modifiers, Qt::MouseButton button); /** @brief Reset the zoom level of the plot (auto-scale to data) */ void resetZoom(); private: void renderViews(); float m_lineWidth = 1.0; bool m_showPoints = false; // private members class ChartWidgetImpl; ChartWidgetImpl* m_impl; }; } // namespace Avogadro::QtGui #endif // AVOGADRO_QTGUI_CHARTWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/colorbutton.cpp000066400000000000000000000042221516317240700255030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ // Adapted from Avogadro 1.0 by Geoffrey Hutchison // Contributed to Avogadro 2.0 by Geoffrey Hutchison #include "colorbutton.h" #include #include namespace Avogadro::QtGui { ColorButton::ColorButton(QWidget* parent) : QAbstractButton(parent), m_color(Qt::white), m_title("") { setMinimumSize(35, 20); connect(this, SIGNAL(clicked()), this, SLOT(changeColor())); } ColorButton::ColorButton(const QColor& initial, QWidget* parent) : QAbstractButton(parent), m_color(initial) { setMinimumSize(35, 20); connect(this, SIGNAL(clicked()), this, SLOT(changeColor())); } void ColorButton::changeColor() { // This could be an ifdef for KColorDialog if KDE is present QColor currentColor = m_color; if (m_title == "") m_color = QColorDialog::getColor(m_color, this); else m_color = QColorDialog::getColor(m_color, this, m_title); if (currentColor == m_color || !m_color.isValid()) { m_color = currentColor; // e.g., invalid color return; } update(); emit colorChanged(m_color); } void ColorButton::setColor(const QColor& color) { m_color = color; update(); emit colorChanged(m_color); } void ColorButton::setDialogTitle(const QString title) { m_title = title; } QColor ColorButton::color() const { return m_color; } void ColorButton::paintEvent(QPaintEvent*) { // TODO: If we go to RGBA colors, we should really show two pieces // e.g. ----------- // | /| // | non / | // | alpha/ | // | / | // | /alpha // | / | // ----------- QPainter painter(this); // outer border painter.drawRect(0, 0, width(), height()); // inner color painter.setBrush(m_color); painter.drawRect(4, 4, width() - 8, height() - 8); } bool ColorButton::event(QEvent* e) { return QAbstractButton::event(e); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/colorbutton.h000066400000000000000000000041331516317240700251510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ // Adapted from Avogadro 1.0 by Geoffrey Hutchison // Contributed to Avogadro 2.0 by Geoffrey Hutchison #ifndef AVOGADRO_QTGUI_COLORBUTTON_H #define AVOGADRO_QTGUI_COLORBUTTON_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace QtGui { /** * @class ColorButton colorbutton.h * @author Geoffrey Hutchison * @brief A button to show the current color and bring up the QColorDialog. * * This class implements a QAbstractButton to display a colored rectangle. * When clicked by the user, it brings up a color picker to select a new * color. * * The widget has a default minimum size of 35x20 pixels. */ class AVOGADROQTGUI_EXPORT ColorButton : public QAbstractButton { Q_OBJECT public: ColorButton(QWidget* parent = nullptr); explicit ColorButton(const QColor& initial, QWidget* parent = nullptr); /** * Redraw the widget (i.e., refresh the colored rectangle) */ void paintEvent(QPaintEvent*) override; /** * @param color the new color to be used */ void setColor(const QColor& color); /** * @param title custom title for color choice dialog */ void setDialogTitle(const QString title = ""); /** * @return the current color */ QColor color() const; Q_SIGNALS: /** * emit any time the color is changed, either by a user or by setColor() */ void colorChanged(const QColor&); public Q_SLOTS: /** * Call for a change in the current color */ void changeColor(); protected: /** * Generic event handler, currently defaults to calling parent class * (included for future compatibility) */ bool event(QEvent* e) override; QColor m_color; //!< The current color QString m_title; //!< The current dialog title }; } // namespace QtGui } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/containerwidget.cpp000066400000000000000000000035221516317240700263210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "containerwidget.h" #include #include #include #include namespace Avogadro::QtGui { ContainerWidget::ContainerWidget(QWidget* p, Qt::WindowFlags f) : QWidget(p, f), m_viewWidget(nullptr), m_label(new QLabel(QStringLiteral(" "), this)), m_active(false) { auto* h = new QHBoxLayout; h->setContentsMargins(0, 0, 0, 0); auto* v = new QVBoxLayout; v->setContentsMargins(0, 0, 0, 0); v->setSpacing(0); h->addWidget(m_label); h->addStretch(); auto* button = new QPushButton(tr("Split Horizontal"), this); button->setEnabled(false); // connect(button, SIGNAL(clicked()), SIGNAL(splitHorizontal())); h->addWidget(button); button = new QPushButton(tr("Split Vertical"), this); button->setEnabled(false); // connect(button, SIGNAL(clicked()), SIGNAL(splitVertical())); h->addWidget(button); button = new QPushButton(tr("Close"), this); button->setEnabled(false); // connect(button, SIGNAL(clicked()), SIGNAL(closeView())); h->addWidget(button); v->addLayout(h); setLayout(v); } ContainerWidget::~ContainerWidget() {} void ContainerWidget::setViewWidget(QWidget* widget) { if (m_viewWidget) m_viewWidget->deleteLater(); m_viewWidget = widget; layout()->addWidget(widget); } QWidget* ContainerWidget::viewWidget() { return m_viewWidget; } void ContainerWidget::setActive(bool active) { if (m_active != active) { m_active = active; m_label->setText(active ? " * " : " "); } } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/containerwidget.h000066400000000000000000000025121516317240700257640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CONTAINERWIDGET_H #define AVOGADRO_QTGUI_CONTAINERWIDGET_H #include "avogadroqtguiexport.h" #include class QLabel; namespace Avogadro { namespace QtGui { /** * @class ContainerWidget containerwidget.h * @brief A widget that contains a single view widget, along with standard * buttons for splitting, maximizing, closing. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ContainerWidget : public QWidget { Q_OBJECT public: explicit ContainerWidget(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~ContainerWidget() override; void setViewWidget(QWidget* widget); QWidget* viewWidget(); void setActive(bool active); bool isActive() const { return m_active; } signals: void splitVertical(); void splitHorizontal(); void closeView(); private: QWidget* m_viewWidget; QLabel* m_label; bool m_active; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_CONTAINERWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/customelementdialog.cpp000066400000000000000000000106201516317240700271740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "customelementdialog.h" #include "ui_customelementdialog.h" #include "elementtranslator.h" #include "molecule.h" #include #include #include using Avogadro::Core::Elements; namespace Avogadro::QtGui { CustomElementDialog::CustomElementDialog(Molecule& mol, QWidget* p) : QDialog(p), m_ui(new Ui::CustomElementDialog), m_molecule(mol) { m_ui->setupUi(this); prepareElements(); prepareForm(); } CustomElementDialog::~CustomElementDialog() { delete m_ui; } void CustomElementDialog::resolve(QWidget* p, Molecule& mol) { CustomElementDialog dlg(mol, p); int reply = dlg.exec(); if (static_cast(reply) == Accepted) dlg.apply(); } namespace { struct RemapAtomicNumbers { typedef std::map MapType; const MapType& map; RemapAtomicNumbers(const MapType& m) : map(m) {} RemapAtomicNumbers(const RemapAtomicNumbers& o) : map(o.map) {} unsigned char operator()(unsigned char old) const { if (Core::isCustomElement(old)) { auto it = map.find(old); return it == map.end() ? old : it->second; } return old; } }; } // namespace void CustomElementDialog::apply() { RemapAtomicNumbers::MapType oldToNew; Molecule::CustomElementMap newMap; const Molecule::CustomElementMap& oldMap = m_molecule.customElementMap(); unsigned char newIdGenerator = CustomElementMin; foreach (QComboBox* combo, findChildren()) { unsigned char oldId = static_cast(combo->property("id").toUInt()); int currentIndex = combo->currentIndex(); if (currentIndex == 0) { // Reuse old name: unsigned char newId = newIdGenerator++; auto it = oldMap.find(oldId); newMap.insert(std::make_pair(newId, it->second)); oldToNew.insert(std::make_pair(oldId, newId)); } else { // New element assigned: auto newId = static_cast(currentIndex); oldToNew.insert(std::make_pair(oldId, newId)); } } if (newMap.size() != oldMap.size()) { Core::Array atomicNumbers = m_molecule.atomicNumbers(); std::transform(atomicNumbers.begin(), atomicNumbers.end(), atomicNumbers.begin(), RemapAtomicNumbers(oldToNew)); m_molecule.setAtomicNumbers(atomicNumbers); m_molecule.setCustomElementMap(newMap); m_molecule.emitChanged(Molecule::Atoms | Molecule::Modified); } } void CustomElementDialog::prepareElements() { int maxNumber = ElementTranslator::numberOfElements(); m_elements.reserve(maxNumber); for (int i = 1; i <= maxNumber; ++i) m_elements.append(ElementTranslator::name(i)); } namespace { struct CustomElementFilter { std::set customElements; void operator()(unsigned char atomicNumber) { if (Core::isCustomElement(atomicNumber)) customElements.insert(atomicNumber); } operator std::set() const { return customElements; } }; } // namespace void CustomElementDialog::prepareForm() { const Molecule::CustomElementMap& map = m_molecule.customElementMap(); const Core::Array& atomicNumbers = m_molecule.atomicNumbers(); std::set customElements = std::for_each( atomicNumbers.begin(), atomicNumbers.end(), CustomElementFilter()); Molecule::CustomElementMap::const_iterator match; for (unsigned char customElement : customElements) { if ((match = map.find(customElement)) != map.end()) addRow(customElement, QString::fromStdString(match->second)); else addRow(customElement, QString::fromStdString(Elements::name(customElement))); } } void CustomElementDialog::addRow(unsigned char elementId, const QString& name) { auto* combo = new QComboBox(this); combo->setProperty("id", static_cast(elementId)); combo->addItem(name); combo->addItems(m_elements); unsigned int atomicNumber = Elements::guessAtomicNumber(name.toStdString()); if (atomicNumber != InvalidElement) combo->setCurrentIndex(static_cast(atomicNumber)); else combo->setCurrentIndex(0); m_ui->form->addRow(name + ":", combo); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/customelementdialog.h000066400000000000000000000030001516317240700266330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CUSTOMELEMENTDIALOG_H #define AVOGADRO_QTGUI_CUSTOMELEMENTDIALOG_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace QtGui { class Molecule; namespace Ui { class CustomElementDialog; } /** * @class CustomElementDialog customelementdialog.h * * @brief Dialog window for mapping custom elements into elemental types. */ class AVOGADROQTGUI_EXPORT CustomElementDialog : public QDialog { Q_OBJECT public: explicit CustomElementDialog(Molecule& mol, QWidget* parent = nullptr); ~CustomElementDialog() override; /** * Static entry point for using this dialog. @a parent is the parent of the * dialog, @a mol is the molecule to operate on. */ static void resolve(QWidget* parent, Molecule& mol); public slots: /** Apply the changes to the molecule. */ void apply(); private: Ui::CustomElementDialog* m_ui; Molecule& m_molecule; QStringList m_elements; void prepareElements(); void prepareForm(); void addRow(unsigned char customElementId, const QString& name); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_CUSTOMELEMENTDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/customelementdialog.ui000066400000000000000000000051421516317240700270320ustar00rootroot00000000000000 Avogadro::QtGui::CustomElementDialog 0 0 250 200 Rename Elements true 0 0 230 130 QFormLayout::AllNonFixedFieldsGrow Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Qt::Vertical 20 40 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtGui::CustomElementDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtGui::CustomElementDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/elementdetail_p.cpp000066400000000000000000000101771516317240700262720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elementdetail_p.h" #include "elementtranslator.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::Elements; ElementDetail::ElementDetail(int elementNumber) : m_width(100), m_height(70), m_element(elementNumber) { } QRectF ElementDetail::boundingRect() const { return QRectF(-m_width / 2, -m_height / 2, m_width, m_height); } QPainterPath ElementDetail::shape() const { QPainterPath path; path.addRect(-m_width / 2, -m_height / 2, m_width, m_height); return path; } void ElementDetail::paint(QPainter* painter, const QStyleOptionGraphicsItem*, QWidget*) { // Set up a font object and get its height QFont font(QStringLiteral("sans-serif")); font.setPixelSize(12); painter->setFont(font); QFontMetrics fm(font); int pixelHeight = fm.height(); QString symbol = Elements::symbol(static_cast(m_element)); QString name(ElementTranslator::name(m_element)); QString mass = QStringLiteral("%L1").arg( Elements::mass(static_cast(m_element)), 0, 'f', 3); const unsigned char* colorTmp = Elements::color(static_cast(m_element)); QColor color(Qt::white); if (colorTmp) { color.setRgb(static_cast(colorTmp[0]), static_cast(colorTmp[1]), static_cast(colorTmp[2])); } // Draw the element detail border and fill with the element colour painter->setBrush(color); painter->setPen(Qt::black); QRectF rect(-m_width / 2, -m_height / 2, m_width, m_height); painter->drawRect(rect); // Draw the element symbol bigger than everything else font.setPixelSize(24); QFontMetrics fm2(font); pixelHeight = fm2.height(); int pixelWidth = fm2.horizontalAdvance(symbol); painter->setFont(font); QRectF symbolRect(-10, -m_height / 2 + 8, pixelWidth, pixelHeight); painter->drawText(symbolRect, Qt::AlignCenter, symbol); // Reduce the font size to draw the other parts font.setPixelSize(12); int pixelHeight2 = fm.height(); painter->setFont(font); // I don't seem to be able to get a nice, cross platform layout working here // I would really like to figure out how to make this more portable - ideas? #ifdef Q_OS_MAC // Draw the proton number QRectF protonNumberRect(-m_width / 2 - 10, -m_height / 2 + 8, m_width / 2, pixelHeight2); painter->drawText(protonNumberRect, Qt::AlignRight, QString::number(m_element)); // Draw the mass QRectF massNumberRect(-m_width / 2, -m_height / 2 + 8 + pixelHeight * 1.1, m_width, pixelHeight2); painter->drawText(massNumberRect, Qt::AlignCenter, mass); // Finally the full element name QRectF nameRect(-m_width / 2, -m_height / 2 + 4 + pixelHeight * 1.1 + pixelHeight2, m_width, pixelHeight); painter->drawText(nameRect, Qt::AlignCenter, name); #else // Draw the proton number QRectF protonNumberRect(-m_width / 2 - 10, -m_height / 2 + 16, m_width / 2, pixelHeight2); painter->drawText(protonNumberRect, Qt::AlignRight, QString::number(m_element)); // Draw the mass QRectF massNumberRect(-m_width / 2, -m_height / 2 + 4 + pixelHeight, m_width, pixelHeight2); painter->drawText(massNumberRect, Qt::AlignCenter, mass); // Finally the full element name QRectF nameRect(-m_width / 2, -m_height / 2 + pixelHeight + 0.8 * pixelHeight2, m_width, pixelHeight); painter->drawText(nameRect, Qt::AlignCenter, name); #endif } void ElementDetail::setElement(int element) { if (m_element != element) { m_element = element; update(boundingRect()); } } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/elementdetail_p.h000066400000000000000000000035211516317240700257320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ELEMENTDETAIL_P_H #define AVOGADRO_QTGUI_ELEMENTDETAIL_P_H #include namespace Avogadro { namespace QtGui { /** * @class ElementDetail * @internal * @author Marcus D. Hanwell * @brief An item box displaying more detailed information on the element. * * This class implements a QGraphicsItem for displaying a larger box that * gives greater detail about the selected element such as its full name, * proton number and average atomic mass. */ class ElementDetail : public QGraphicsItem { public: /** * Constructor. Should be called with the element number for this item. */ explicit ElementDetail(int elementNumber = 0); /** * @return the bounding rectangle of the element item. */ QRectF boundingRect() const override; /** * @return the painter path which is also a rectangle in this case. */ QPainterPath shape() const override; /** * This is where most of the action takes place. The element box is drawn * along with its symbol, proton number, mass and full name. */ void paint(QPainter* painter, const QStyleOptionGraphicsItem* option, QWidget* widget) override; /** * Change the element displayed in the detail object. */ void setElement(int element); private: /** * Width and height of the item. */ int m_width, m_height; /** * The proton number of the item - all other attributes are derived from this. */ int m_element; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_ELEMENTDETAIL_P_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/elementitem_p.cpp000066400000000000000000000045001516317240700257570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elementitem_p.h" #include "elementtranslator.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::Elements; ElementItem::ElementItem(int elementNumber) : m_valid(false), m_color(Qt::white), m_width(26), m_height(26), m_element(elementNumber) { // Want these items to be selectable setFlags(QGraphicsItem::ItemIsSelectable); m_symbol = Elements::symbol(static_cast(m_element)); if (!m_symbol.isEmpty()) m_valid = true; const unsigned char* color = Elements::color(static_cast(m_element)); if (color) { m_color.setRgb(static_cast(color[0]), static_cast(color[1]), static_cast(color[2])); } // Set some custom data to make it easy to figure out which element we are setData(0, m_element); } ElementItem::~ElementItem() {} QRectF ElementItem::boundingRect() const { return QRectF(-m_width / 2, -m_height / 2, m_width, m_height); } QPainterPath ElementItem::shape() const { QPainterPath path; path.addRect(-m_width / 2, -m_height / 2, m_width, m_height); return path; } void ElementItem::paint(QPainter* painter, const QStyleOptionGraphicsItem*, QWidget*) { if (!m_valid) return; // Fill the rectangle with the element colour QColor bgColor; QPen pen; if (isSelected()) { bgColor = QColor(m_color).lighter(150); pen.setColor(QColor(m_color).darker(150)); pen.setWidth(4); } else { bgColor = QColor(m_color); } painter->setPen(pen); painter->setBrush(bgColor); QRectF rect(-m_width / 2, -m_height / 2, m_width, m_height); painter->drawRect(rect); // Handle the case where the item is selected if (bgColor.value() < 150) pen.setColor(Qt::white); else pen.setColor(Qt::black); painter->setPen(pen); painter->drawText(rect, Qt::AlignCenter, m_symbol); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/elementitem_p.h000066400000000000000000000042151516317240700254270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ELEMENTITEM_P_H #define AVOGADRO_QTGUI_ELEMENTITEM_P_H #include namespace Avogadro { namespace QtGui { /** * @class ElementItem * @internal * @author Marcus D. Hanwell * @brief An element item, intended to display a single element. * * This class implements a QGraphicsItem for displaying single elements in a * periodic table. It currently allows the setting of the proton number and * gets all other information from OpenBabel. */ class ElementItem : public QGraphicsItem { public: /** * Constructor. Should be called with the element number for this item. The * constructor uses setData to set the element number using the key 0. This * is then used by PeriodicTable to figure out which element was clicked on. */ ElementItem(int elementNumber = 0); ~ElementItem() override; /** * @return the bounding rectangle of the element item. */ QRectF boundingRect() const override; /** * @return the painter path which is also a rectangle in this case. */ QPainterPath shape() const override; /** * This is where most of the action takes place. The element box is drawn * along with its symbol. */ void paint(QPainter* painter, const QStyleOptionGraphicsItem* option, QWidget* widget) override; private: /** Indicates if element is well-formed (e.g., has non-empty symbol). */ bool m_valid; /** The element numbers symbol. */ QString m_symbol; /** * The color of the element which will also be used as the background color * for the item box. */ QColor m_color; /** * Width and height of the elements. */ int m_width, m_height; /** * The proton number of the item - all other attributes are derived from this. */ int m_element; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_ELEMENTITEM_P_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/elementtranslator.cpp000066400000000000000000000163111516317240700266760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elementtranslator.h" namespace Avogadro::QtGui { ElementTranslator::ElementTranslator() : QObject() {} QString ElementTranslator::name(int element) { QString result; switch (element) { case 1: result = tr("Hydrogen"); break; case 2: result = tr("Helium"); break; case 3: result = tr("Lithium"); break; case 4: result = tr("Beryllium"); break; case 5: result = tr("Boron"); break; case 6: result = tr("Carbon"); break; case 7: result = tr("Nitrogen"); break; case 8: result = tr("Oxygen"); break; case 9: result = tr("Fluorine"); break; case 10: result = tr("Neon"); break; case 11: result = tr("Sodium"); break; case 12: result = tr("Magnesium"); break; case 13: result = tr("Aluminum"); break; case 14: result = tr("Silicon"); break; case 15: result = tr("Phosphorus"); break; case 16: result = tr("Sulfur"); break; case 17: result = tr("Chlorine"); break; case 18: result = tr("Argon"); break; case 19: result = tr("Potassium"); break; case 20: result = tr("Calcium"); break; case 21: result = tr("Scandium"); break; case 22: result = tr("Titanium"); break; case 23: result = tr("Vanadium"); break; case 24: result = tr("Chromium"); break; case 25: result = tr("Manganese"); break; case 26: result = tr("Iron"); break; case 27: result = tr("Cobalt"); break; case 28: result = tr("Nickel"); break; case 29: result = tr("Copper"); break; case 30: result = tr("Zinc"); break; case 31: result = tr("Gallium"); break; case 32: result = tr("Germanium"); break; case 33: result = tr("Arsenic"); break; case 34: result = tr("Selenium"); break; case 35: result = tr("Bromine"); break; case 36: result = tr("Krypton"); break; case 37: result = tr("Rubidium"); break; case 38: result = tr("Strontium"); break; case 39: result = tr("Yttrium"); break; case 40: result = tr("Zirconium"); break; case 41: result = tr("Niobium"); break; case 42: result = tr("Molybdenum"); break; case 43: result = tr("Technetium"); break; case 44: result = tr("Ruthenium"); break; case 45: result = tr("Rhodium"); break; case 46: result = tr("Palladium"); break; case 47: result = tr("Silver"); break; case 48: result = tr("Cadmium"); break; case 49: result = tr("Indium"); break; case 50: result = tr("Tin"); break; case 51: result = tr("Antimony"); break; case 52: result = tr("Tellurium"); break; case 53: result = tr("Iodine"); break; case 54: result = tr("Xenon"); break; case 55: result = tr("Cesium"); break; case 56: result = tr("Barium"); break; case 57: result = tr("Lanthanum"); break; case 58: result = tr("Cerium"); break; case 59: result = tr("Praseodymium"); break; case 60: result = tr("Neodymium"); break; case 61: result = tr("Promethium"); break; case 62: result = tr("Samarium"); break; case 63: result = tr("Europium"); break; case 64: result = tr("Gadolinium"); break; case 65: result = tr("Terbium"); break; case 66: result = tr("Dysprosium"); break; case 67: result = tr("Holmium"); break; case 68: result = tr("Erbium"); break; case 69: result = tr("Thulium"); break; case 70: result = tr("Ytterbium"); break; case 71: result = tr("Lutetium"); break; case 72: result = tr("Hafnium"); break; case 73: result = tr("Tantalum"); break; case 74: result = tr("Tungsten"); break; case 75: result = tr("Rhenium"); break; case 76: result = tr("Osmium"); break; case 77: result = tr("Iridium"); break; case 78: result = tr("Platinum"); break; case 79: result = tr("Gold"); break; case 80: result = tr("Mercury"); break; case 81: result = tr("Thallium"); break; case 82: result = tr("Lead"); break; case 83: result = tr("Bismuth"); break; case 84: result = tr("Polonium"); break; case 85: result = tr("Astatine"); break; case 86: result = tr("Radon"); break; case 87: result = tr("Francium"); break; case 88: result = tr("Radium"); break; case 89: result = tr("Actinium"); break; case 90: result = tr("Thorium"); break; case 91: result = tr("Protactinium"); break; case 92: result = tr("Uranium"); break; case 93: result = tr("Neptunium"); break; case 94: result = tr("Plutonium"); break; case 95: result = tr("Americium"); break; case 96: result = tr("Curium"); break; case 97: result = tr("Berkelium"); break; case 98: result = tr("Californium"); break; case 99: result = tr("Einsteinium"); break; case 100: result = tr("Fermium"); break; case 101: result = tr("Mendelevium"); break; case 102: result = tr("Nobelium"); break; case 103: result = tr("Lawrencium"); break; case 104: result = tr("Rutherfordium"); break; case 105: result = tr("Dubnium"); break; case 106: result = tr("Seaborgium"); break; case 107: result = tr("Bohrium"); break; case 108: result = tr("Hassium"); break; case 109: result = tr("Meitnerium"); break; case 110: result = tr("Darmstadtium"); break; case 111: result = tr("Roentgenium"); break; case 112: result = tr("Copernicium"); break; case 113: result = tr("Nihonium"); break; case 114: result = tr("Flerovium"); break; case 115: result = tr("Moscovium"); break; case 116: result = tr("Livermorium"); break; case 117: result = tr("Tennessine"); break; case 118: result = tr("Oganesson"); break; default: result = tr("Unknown"); } return result; } int ElementTranslator::numberOfElements() { return 118; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/elementtranslator.h000066400000000000000000000026111516317240700263410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ELEMENTTRANSLATOR_H #define AVOGADRO_QTGUI_ELEMENTTRANSLATOR_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { /** * @class ElementTranslator elementtranslator.h * * @brief Internationalization of element names. * @author Geoff Hutchison * * This class provides for translation of element names: e.g., tr("Carbon") * To use the global translator: * @code * #include * ... * Avogadro::elementTranslator.name(6); // Return "carbon" in English * @endcode */ class AVOGADROQTGUI_EXPORT ElementTranslator : public QObject { Q_OBJECT public: ElementTranslator(); /** * Translate element names. * @param element The atomic number of the element to be translated. * @return a QString with the appropriate translation for the current locale. */ static QString name(int element); /** * @return The highest atomic number supported by this class. */ static int numberOfElements(); }; } // End namespace QtGui } // End namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/extensionplugin.cpp000066400000000000000000000021641516317240700263670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "extensionplugin.h" #include namespace Avogadro::QtGui { ExtensionPlugin::ExtensionPlugin(QObject* parent_) : QObject(parent_) {} ExtensionPlugin::~ExtensionPlugin() {} QList ExtensionPlugin::fileFormats() const { return QList(); } ExtensionPluginFactory::~ExtensionPluginFactory() {} bool ExtensionPlugin::readMolecule(Molecule&) { return false; } void ExtensionPlugin::setScene(Rendering::Scene*) {} void ExtensionPlugin::setCamera([[maybe_unused]] Rendering::Camera* camera) {} void ExtensionPlugin::setActiveWidget(QWidget* widget) { setParent(widget); } bool ExtensionPlugin::handleCommand(const QString& command, const QVariantMap& options) { Q_UNUSED(command); Q_UNUSED(options); return false; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/extensionplugin.h000066400000000000000000000132021516317240700260270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_EXTENSIONPLUGIN_H #define AVOGADRO_QTGUI_EXTENSIONPLUGIN_H #include "avogadroqtguiexport.h" #include #include class QAction; namespace Avogadro { namespace QtGui { class Molecule; } namespace Rendering { class Camera; class Scene; } // namespace Rendering namespace Io { class FileFormat; } namespace QtGui { /** * @class ExtensionPlugin extensionplugin.h * @brief The base class for extension plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ExtensionPlugin : public QObject { Q_OBJECT public: explicit ExtensionPlugin(QObject* parent = nullptr); ~ExtensionPlugin() override; /** * The name of the extension plugin, will be displayed in the user interface. */ virtual QString name() const = 0; /** * A description of the extension plugin, may be displayed in the user * interface. */ virtual QString description() const = 0; /** * @return The QActions for this extension (should be at least one). */ virtual QList actions() const = 0; /** * @return The menu path of the supplied action. This can be empty if the * action was not recognized, or contain two or more strings (top level, plus * name, e.g. File, &Open). */ virtual QStringList menuPath(QAction* action = nullptr) const = 0; /** * @return A list of file format readers/writers. * * The caller takes ownership of the objects in the returned list. */ virtual QList fileFormats() const; /** * If the extension plugin has script commands, this method * should be implemented to emit the registerCommand signals. */ virtual void registerCommands() {} public slots: /** * Called when the current molecule changes. */ virtual void setMolecule(QtGui::Molecule* mol) = 0; /** * Call this slot when the moleculeReady signal indicated that a molecule is * ready to be read. The @p molecule will have the data read into it. The slot * will @return true if a molecule was successfully read in. */ virtual bool readMolecule(QtGui::Molecule& mol); /** * Called when the current scene changes. */ virtual void setScene(Rendering::Scene* scene); /** * Called when the active camera for the view changes. */ virtual void setCamera(Rendering::Camera* camera); /** * Called when the active widget changes. This must be used carefully, and * should check that the widget has been cast if used. */ virtual void setActiveWidget(QWidget* widget); /** * Called by the app to handle a command registered by the extension. * (e.g., "renderMovie" or "generateSurface", etc.) * * The app will turn the command into a string and pass it to the extension. * and any options will go from a JSON dictionary to a QVariantMap. * * @return true if the command was handled, false otherwise. */ virtual bool handleCommand(const QString& command, const QVariantMap& options); signals: /** * Signal that the extension has a new molecule that is ready to be loaded. * The application must call readMolecule in order to actually read the * molecule(s). */ void moleculeReady(int numberOfMolecules); /** * Signal that the extension has file formats that are ready to be registered. * If emitted the application should call fileFormats to get the formats the * extension is registering. */ void fileFormatsReady(); /** * Signal to request a particular tool is set as the active tool. This is * useful when loading a structure outside of the normal file API and setting * "Navigator" to active instead of "Editor" (the default). */ void requestActiveTool(QString toolName); /** * Request a specific display type (or types) are made active. * This can be useful when loading a specific type of data that * would be most readily viewed with a specialized view. */ void requestActiveDisplayTypes(QStringList displayTypes); /** * Register a new command with the application. The command will be available * through scripting (e.g., "renderMovie" or "generateSurface", etc.) * * @param command The name of the command to register. * @param description A description of the command. * * @sa handleCommand */ void registerCommand(QString command, QString description); /** * Indicate that a particular script command is finished. * (e.g., from handleCommand) * @param message An optional message to the script or user */ void commandFinished(const QString& message = QString()); /** * Indicate that the list of actions for this extension has changed. * The application should rebuild menus to reflect the new action list. */ void actionsChanged(); }; /** * @class ExtensionPluginFactory extensionplugin.h * * @brief The base class for extension plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ExtensionPluginFactory : public QtPlugins::PluginFactory { public: ~ExtensionPluginFactory() override; }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_INTERFACE(Avogadro::QtGui::ExtensionPluginFactory, "org.openchemistry.avogadro.ExtensionPluginFactory") #endif // AVOGADRO_QTGUI_EXTENSIONPLUGIN_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/filebrowsewidget.cpp000066400000000000000000000133611516317240700265020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "filebrowsewidget.h" #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { FileBrowseWidget::FileBrowseWidget(QWidget* theParent) : QWidget(theParent), m_mode(), // use the setter to initialize filters. m_valid(false), m_fileSystemModel(new QFileSystemModel(this)), m_button(new QPushButton(tr("Browse"))), m_edit(new QLineEdit) { auto* hbox = new QHBoxLayout; hbox->addWidget(m_edit); hbox->addWidget(m_button); setLayout(hbox); // Focus config setFocusPolicy(Qt::StrongFocus); setFocusProxy(m_edit); setTabOrder(m_edit, m_button); // Setup completion m_fileSystemModel->setRootPath(QDir::rootPath()); auto* fsCompleter = new QCompleter(m_fileSystemModel, this); m_edit->setCompleter(fsCompleter); // Connections: connect(m_button, SIGNAL(clicked()), SLOT(browse())); connect(m_edit, SIGNAL(textChanged(QString)), SLOT(testFileName())); connect(m_edit, SIGNAL(textChanged(QString)), SIGNAL(fileNameChanged(QString))); setMode(ExistingFile); } FileBrowseWidget::~FileBrowseWidget() {} QString FileBrowseWidget::fileName() const { return m_edit->text(); } QPushButton* FileBrowseWidget::browseButton() const { return m_button; } QLineEdit* FileBrowseWidget::lineEdit() const { return m_edit; } void FileBrowseWidget::setFileName(const QString& fname) { m_edit->setText(fname); } void FileBrowseWidget::browse() { QString fname(fileName()); QFileInfo info(fname); QString initialFilePath; if (info.isAbsolute()) { initialFilePath = info.absolutePath(); } else if (m_mode == ExecutableFile) { initialFilePath = searchSystemPathForFile(fname); if (!initialFilePath.isEmpty()) initialFilePath = QFileInfo(initialFilePath).absolutePath(); } if (initialFilePath.isEmpty()) initialFilePath = QDir::homePath(); initialFilePath += "/" + info.fileName(); info = QFileInfo(initialFilePath); QFileDialog dlg(this); switch (m_mode) { default: case ExistingFile: dlg.setWindowTitle(tr("Select file:")); break; case ExecutableFile: dlg.setWindowTitle(tr("Select executable:")); dlg.setFilter(QDir::Executable); break; } dlg.setFileMode(QFileDialog::ExistingFile); dlg.setDirectory(info.absolutePath()); dlg.selectFile(info.fileName()); if (static_cast(dlg.exec()) == QFileDialog::Accepted && !dlg.selectedFiles().isEmpty()) setFileName(dlg.selectedFiles().first()); } void FileBrowseWidget::testFileName() { QFileInfo info(fileName()); if (info.isAbsolute()) { if (info.exists()) { if (m_mode != ExecutableFile || info.isExecutable()) { fileNameMatch(); return; } } } else if (m_mode == ExecutableFile) { // for non-absolute executables, search PATH QString absoluteFilePath = searchSystemPathForFile(fileName()); if (!absoluteFilePath.isNull()) { fileNameMatch(); return; } } fileNameNoMatch(); } void FileBrowseWidget::fileNameMatch() { QPalette pal; // get the default window text color // works for both dark theme and light theme QColor text = qApp->palette().color(QPalette::WindowText); pal.setColor(QPalette::Text, text); m_edit->setPalette(pal); m_valid = true; } void FileBrowseWidget::fileNameNoMatch() { QPalette pal; pal.setColor(QPalette::Text, Qt::red); m_edit->setPalette(pal); m_valid = false; } QStringList FileBrowseWidget::searchSystemPathForFiles(const QStringList& execs) { QStringList result; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); if (!env.contains(QStringLiteral("PATH"))) return result; static QString pathSplitter = #ifdef Q_OS_WIN32 ";" #else // WIN32 ":" #endif // WIN32 ; QStringList paths = env.value(QStringLiteral("PATH")).split(pathSplitter, Qt::SkipEmptyParts); foreach (const QString& exec, execs) { foreach (const QString& path, paths) { QFileInfo info(path + "/" + exec); if (!info.exists() || !info.isFile()) { continue; } result << info.absoluteFilePath(); break; } } return result; } QString FileBrowseWidget::searchSystemPathForFile(const QString& exec) { QString result; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); if (!env.contains(QStringLiteral("PATH"))) return result; static QString pathSplitter = #ifdef Q_OS_WIN32 ";" #else // WIN32 ":" #endif // WIN32 ; QStringList paths = env.value(QStringLiteral("PATH")).split(pathSplitter, Qt::SkipEmptyParts); foreach (const QString& path, paths) { QFileInfo info(path + "/" + exec); if (!info.exists() || !info.isFile()) { continue; } result = info.absoluteFilePath(); break; } return result; } void FileBrowseWidget::setMode(FileBrowseWidget::Mode m) { m_mode = m; QDir::Filters modelFilters = QDir::Files | QDir::AllDirs | QDir::NoDot | QDir::Drives; // This should go here, but unfortunately this also filters out a ton of // directories as well... // if (m_mode == ExecutableFile) // modelFilters |= QDir::Executable; m_fileSystemModel->setFilter(modelFilters); testFileName(); } FileBrowseWidget::Mode FileBrowseWidget::mode() const { return m_mode; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/filebrowsewidget.h000066400000000000000000000037561516317240700261560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_FILEBROWSEWIDGET_H #define AVOGADRO_QTGUI_FILEBROWSEWIDGET_H #include "avogadroqtguiexport.h" #include class QFileSystemModel; class QLineEdit; class QPushButton; namespace Avogadro { namespace QtGui { class AVOGADROQTGUI_EXPORT FileBrowseWidget : public QWidget { Q_OBJECT public: enum Mode { ExistingFile = 0, ExecutableFile }; explicit FileBrowseWidget(QWidget* theParent = nullptr); ~FileBrowseWidget() override; QString fileName() const; bool validFileName() const { return m_valid; } QPushButton* browseButton() const; QLineEdit* lineEdit() const; void setMode(Mode m); Mode mode() const; /** * @brief Search the environment variable PATH for a file with the specified * name. * @param exec The name of the file. * @return The absolute path to the file on the system, or a null QString if * not found. */ static QString searchSystemPathForFile(const QString& exec); /** * @brief Search the environment variable PATH for files with the specified * names. * @param execs The names of the files. * @return The absolute paths to the files on the system, or an empty list if * not found. */ static QStringList searchSystemPathForFiles(const QStringList& execs); signals: void fileNameChanged(const QString& filename); public slots: void setFileName(const QString& fname); private slots: void browse(); void testFileName(); void fileNameMatch(); void fileNameNoMatch(); private: Mode m_mode; bool m_valid; QFileSystemModel* m_fileSystemModel; QPushButton* m_button; QLineEdit* m_edit; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_FILEBROWSEWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/fileformatdialog.cpp000066400000000000000000000271521516317240700264500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformatdialog.h" #include #include #include #include #include #include #include using Avogadro::Io::FileFormat; using Avogadro::Io::FileFormatManager; using std::vector; namespace Avogadro::QtGui { FileFormatDialog::FileFormatDialog(QWidget* parentW) : QFileDialog(parentW) {} FileFormatDialog::~FileFormatDialog() {} FileFormatDialog::FormatFilePair FileFormatDialog::fileToRead( QWidget* parent, const QString& caption, const QString& dir, const QString& filter) { FormatFilePair result(nullptr, QString()); // Use the default read filter if none specified: const QString realFilter = filter.isEmpty() ? readFileFilter() : filter; bool done = false; do { // jump point for continue statements on retry QString fileName = QFileDialog::getOpenFileName(parent, caption, dir, realFilter); if (fileName.isEmpty()) // user cancel return result; const Io::FileFormat* format = findFileFormat( parent, caption, fileName, FileFormat::File | FileFormat::Read); // If none found, give user the option to retry. if (!format) { QMessageBox::StandardButton reply = QMessageBox::question( parent, caption, tr("Unable to find a suitable file reader for " "the selected file."), QMessageBox::Abort | QMessageBox::Retry, QMessageBox::Retry); switch (reply) { default: case QMessageBox::Retry: continue; case QMessageBox::Abort: return result; } } result.first = format; result.second = fileName; done = true; } while (!done); return result; } FileFormatDialog::FormatFilePair FileFormatDialog::fileToWrite( QWidget* parentWidget, const QString& caption, const QString& dir, const QString& filter) { FormatFilePair result(nullptr, QString()); // Use the default read filter if none specified: const QString realFilter = filter.isEmpty() ? writeFileFilter() : filter; QString fileName; do { // jump point for continue statements on retry fileName = QFileDialog::getSaveFileName(parentWidget, caption, dir, realFilter); if (fileName.isEmpty()) // user cancel return result; const Io::FileFormat* format = findFileFormat( parentWidget, caption, fileName, FileFormat::File | FileFormat::Write); // If none found, give user the option to retry. if (!format) { QString extension = QFileInfo(fileName).suffix().toLower(); if (extension.isEmpty()) { QMessageBox::StandardButton reply = QMessageBox::question( parentWidget, caption, tr( "The file extension is missing, so the format cannot be determined." " Do you want to add it?"), QMessageBox::Abort | QMessageBox::Retry, QMessageBox::Retry); switch (reply) { default: case QMessageBox::Retry: continue; case QMessageBox::Abort: return result; } } QMessageBox::StandardButton reply = QMessageBox::question( parentWidget, caption, tr("Unable to find a suitable file writer for " "the selected format."), QMessageBox::Abort | QMessageBox::Retry, QMessageBox::Retry); switch (reply) { default: case QMessageBox::Retry: continue; case QMessageBox::Abort: return result; } } result.first = format; result.second = fileName; } while (fileName.isEmpty()); return result; } const Io::FileFormat* FileFormatDialog::findFileFormat( QWidget* parentWidget, const QString& caption, const QString& fileName, const FileFormat::Operations formatFlags, const QString& formatPrefix) { if (fileName.isEmpty()) return nullptr; // Extract extension from filename. QFileInfo fileInfo(fileName); QString extension = fileInfo.suffix(); if (extension.isEmpty()) extension = fileInfo.fileName(); // Lookup matching file formats. vector matches( FileFormatManager::instance().fileFormatsFromFileExtension( extension.toStdString(), formatFlags)); // Prepare the strings for selectFileFormat: QString noun; QString verb; QString key; // TODO: This does not work for translation... // particularly since len(matches) is known if ((formatFlags & FileFormat::Read && formatFlags & FileFormat::Write) || ((formatFlags & FileFormat::Read) == 0 && (formatFlags & FileFormat::Write) == 0)) { // Both or neither read/write noun = tr("handlers", "File handlers"); verb = tr("handle", "e.g. file handlers that can 'handle' this file."); key = QLatin1String("fileToWrite"); // Just use the write settings } else if (formatFlags & FileFormat::Read) { // Read noun = tr("readers", "File readers"); verb = tr("read", "e.g. file readers that can 'read' this file."); key = QLatin1String("fileToRead"); } else if (formatFlags & FileFormat::Write) { // Write noun = tr("writers", "File writers"); verb = tr("write", "e.g. file writers that can 'write' this file."); key = QLatin1String("fileToWrite"); } return selectFileFormat(parentWidget, matches, caption, tr("Multiple %1 found that can %2 this format. " "Which should be used?") .arg(noun, verb), QString("FileFormatDialog/%1/%2" "/lastUsed") .arg(key, extension), formatPrefix); } QString FileFormatDialog::readFileFilter() { static QString readFilter; if (readFilter.isEmpty()) { vector formats = FileFormatManager::instance().fileFormats(FileFormat::Read | FileFormat::File); readFilter = generateFilterString(formats, AllFiles | AllFormats); } return readFilter; } QString FileFormatDialog::writeFileFilter() { static QString writeFilter; if (writeFilter.isEmpty()) { vector formats = FileFormatManager::instance().fileFormats(FileFormat::Write | FileFormat::File); writeFilter = generateFilterString(formats, WriteFormats | AllFiles); } return writeFilter; } QString FileFormatDialog::generateFilterString( const std::vector& ffs, FileFormatDialog::FilterStringOptions options) { QString filterString; // Create a map that groups the file extensions by name: QMultiMap formatMap; for (auto ff : ffs) { QString name(QString::fromStdString(ff->name())); std::vector exts = ff->fileExtensions(); for (auto& eit : exts) { QString ext(QString::fromStdString(eit)); if (!formatMap.values(name).contains(ext)) { formatMap.insertMulti(name, ext); } } } // This is a list of "extensions" returned by OB that are not actually // file extensions, but rather the full filename of the file. These // will be used as-is in the filter string, while others will be prepended // with "*.". QStringList nonExtensions; nonExtensions << QStringLiteral("POSCAR") // VASP input geometry << QStringLiteral("CONTCAR") // VASP output geometry << QStringLiteral("HISTORY") // DL-POLY history file << QStringLiteral("CONFIG") // DL-POLY config file ; // This holds all known extensions: QStringList allExtensions; foreach (const QString& desc, formatMap.uniqueKeys()) { QStringList extensions; QStringList formatExtensions = formatMap.values(desc); // When writing formats, only list one common extension // .. to ensure the OS appends the extension to the filename if (options & WriteFormats) { if (formatExtensions.contains(QStringLiteral("cml"))) formatExtensions = QStringList("cml"); else if (formatExtensions.contains(QStringLiteral("mol2"))) formatExtensions = QStringList("mol2"); else if (formatExtensions.contains(QStringLiteral("pdb"))) formatExtensions = QStringList("pdb"); else if (formatExtensions.contains(QStringLiteral("sdf"))) formatExtensions = QStringList("sdf"); else if (formatExtensions.contains(QStringLiteral("xyz"))) formatExtensions = QStringList("xyz"); } foreach (QString extension, formatExtensions) { if (!nonExtensions.contains(extension)) extension.prepend("*."); extensions << extension; } if (options & AllFormats) allExtensions << extensions; filterString += QStringLiteral("%1 (%2);;") .arg(desc, extensions.join(QStringLiteral(" "))); } if (options & AllFiles) filterString.prepend(tr("All files") + " (*);;"); if (options & AllFormats) { filterString.prepend((tr("All supported formats") + " (%1);;") .arg(allExtensions.join(QStringLiteral(" ")))); } return filterString; } const Io::FileFormat* FileFormatDialog::selectFileFormat( QWidget* parentWidget, const std::vector& ffs, const QString& caption, const QString& prompt, const QString& settingsKey, const QString& formatPrefix) { if (ffs.empty()) return nullptr; else if (ffs.size() == 1) return ffs[0]; // If more than one format found, prompt user to select one. QStringList idents; for (auto ff : ffs) { idents << QString::fromStdString(ff->identifier()); } // If there is a format prefix, see if that can reduce the results down. QStringList preferred; foreach (const QString& id, idents) if (id.startsWith(formatPrefix)) preferred << id; if (preferred.size() == 1) return ffs[idents.indexOf(preferred.first())]; // We will only show the dialog if the user is pressing // the shift, control or meta keys. if (!(QApplication::keyboardModifiers() & (Qt::ShiftModifier | Qt::ControlModifier | Qt::MetaModifier))) { // use a script format if set (i.e., these override internal) // otherwise use internal over Open Babel for (int i = 0; i < static_cast(ffs.size()); ++i) { if (idents[i].startsWith("User")) { return ffs[i]; } else if (idents[i].startsWith("Avogadro")) { return ffs[i]; } else if (idents[i].startsWith("OpenBabel")) { return ffs[i]; } } // if we get here, we should show the user the dialog // .. but it should never happen } // See if they used one before: QString lastIdent = settingsKey.isNull() ? QString() : QSettings().value(settingsKey).toString(); int lastIdentIndex = idents.indexOf(lastIdent); // we're going to show the dialog - if there wasn't a choice // the default should be the first one if (lastIdentIndex < 0) lastIdentIndex = 0; bool ok; QString item = QInputDialog::getItem(parentWidget, caption, prompt, idents, lastIdentIndex, false, &ok); int index = idents.indexOf(item); // user cancel if (!ok || index < 0 || index + 1 > static_cast(ffs.size())) return nullptr; // Store chosen reader for next time if (!settingsKey.isNull()) QSettings().setValue(settingsKey, item); return ffs[index]; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/fileformatdialog.h000066400000000000000000000151061516317240700261110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_FILEFORMATDIALOG_H #define AVOGADRO_QTGUI_FILEFORMATDIALOG_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { /** * @class FileFormatDialog fileformatdialog.h * * * Allow users to select save/open filenames that can be handled by registered * FileFormats. */ class AVOGADROQTGUI_EXPORT FileFormatDialog : private QFileDialog { Q_OBJECT public: /** * Container for a filename and a compatible file format, used as return * values in static functions. * @note The FileFormat will be set to nullptr to indicate an error. * @note The FileFormat points to the reference instance held by the * FileFormatManager. Use FileFormat::newInstance() to create a usable copy. */ typedef QPair FormatFilePair; /** * @brief Show a QFileDialog to prompt the user for a file to open and resolve * any file format conflicts. This method returns the selected file and * FileFormat reader. * @param parent The parent of the dialog windows. * @param caption The dialog window titles. * @param dir The initial directory shown to the user. * @param filter A list of filters for limiting the files shown to the user. * See the QFileDialog documentation for format. If the string is empty, a * default list of all suitable registered formats will be used. * @return A FormatFilePair object containing the absolute file path and a * compatible file reader. If an error occurs, the format pointer will be * nullptr. */ static FormatFilePair fileToRead(QWidget* parent, const QString& caption = QString(), const QString& dir = QString(), const QString& filter = QString()); /** * @brief Show a QFileDialog to prompt the user for a file to save and resolve * any file format conflicts. This method returns the selected file and * FileFormat writer. * @param parent The parent of the dialog windows. * @param caption The dialog window titles. * @param dir The initial directory shown to the user. * @param filter A list of filters for limiting the files shown to the user. * See the QFileDialog documentation for format. If the string is empty, a * default list of all suitable registered formats will be used. * @return A FormatFilePair object containing the absolute file path and a * compatible file writer. If an error occurs, the format pointer will be * nullptr. */ static FormatFilePair fileToWrite(QWidget* parent, const QString& caption = QString(), const QString& dir = QString(), const QString& filter = QString()); /** * Given a filename and a set of Io::FileFormat::Operation flags, find a * suitable file format from the FileFormatManager. If multiple readers are * found, ask the user to select one. If no suitable format is found, return * nullptr. * @param parentWidget Parent for any dialog windows that will appear. * @param caption Window title for any dialog windows. * @param fileName Filename to use when searching for a format. Formats are * chosen based on the file extension. * @param formatFlags Operations that the format must support. Most likely * (Io::FileFormat::)Read | File or Write | File. * @param formatPrefix Filter on the supplied prefix (default to none). * @return The selected matching reader, or nullptr if no reader is found. */ static const Io::FileFormat* findFileFormat( QWidget* parentWidget, const QString& caption, const QString& fileName, const Io::FileFormat::Operations formatFlags, const QString& formatPrefix = QString()); private: /** * Constructor is private for now to force use of static methods. This * may be made public at some point if additional API is needed or more * complex use cases arise. */ explicit FileFormatDialog(QWidget* parent = nullptr); ~FileFormatDialog() override; /** * @return A filter string for use with a QFileDialog, containing entries * for all file extensions registered with FileFormatManager, as well as a * "catch-all" entry with all known formats, and an "All files (*)" entry. * Only formats registered with (Read | File) will be used. */ static QString readFileFilter(); /** * @return A filter string for use with a QFileDialog, containing entries * for all file extensions registered with FileFormatManager. An * "All files (*)" entry is added as well. * Only formats registered with (Write | File) will be used. */ static QString writeFileFilter(); /** * Used internally by readFileFilter() and writeFileFilter(). * @{ */ public: // Must be public for operator declarations enum FilterStringOption { NoFilterStringOption = 0x0, AllFormats = 0x1, AllFiles = 0x2, WriteFormats = 0x4, }; Q_DECLARE_FLAGS(FilterStringOptions, FilterStringOption) private: static QString generateFilterString( const std::vector& ffs, FilterStringOptions options); /** @} */ /** * Show a dialog to resolve file format conflicts. This allows the user to * select between multiple instances of FileFormat that can handle their * chosen file extension. * @param parentWidget Widget to use as dialog parent. * @param ffs Conflicting FileFormats that the user should choose from. * @param caption The title of the dialog window. * @param prompt The text in the dialog window. * @param settingsKey An optional QSettings key that will be used to * store the user's choice for initializing the dialog next time. * @return The selected FileFormat instance. */ static const Io::FileFormat* selectFileFormat( QWidget* parentWidget, const std::vector& ffs, const QString& caption, const QString& prompt, const QString& settingsKey = QString(), const QString& formatPrefix = QString()); }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_OPERATORS_FOR_FLAGS( Avogadro::QtGui::FileFormatDialog::FilterStringOptions) #endif // AVOGADRO_QTGUI_FILEFORMATDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/gaussiansetconcurrent.cpp000066400000000000000000000105321516317240700275630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussiansetconcurrent.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::BasisSet; using Core::Cube; using Core::GaussianSet; using Core::GaussianSetTools; using Core::Molecule; template class BasisSetConcurrent { void setMolecule(Molecule* mol) { static_cast(this)->setMolecule(mol); } }; struct GaussianShell { GaussianSetTools* tools; // A pointer to the tools, can't write to member vars Cube* tCube; // The target cube, used to initialise temp cubes too unsigned int pos; // The index of the point to calculate the MO for unsigned int state; // The MO number to calculate }; GaussianSetConcurrent::GaussianSetConcurrent(QObject* p) : QObject(p), m_gaussianShells(nullptr), m_set(nullptr), m_tools(nullptr) { // Watch for the future connect(&m_watcher, SIGNAL(finished()), this, SLOT(calculationComplete())); } GaussianSetConcurrent::~GaussianSetConcurrent() { delete m_gaussianShells; } void GaussianSetConcurrent::setMolecule(Core::Molecule* mol) { if (!mol) return; m_set = dynamic_cast(mol->basisSet()); delete m_tools; m_tools = new GaussianSetTools(mol); } bool GaussianSetConcurrent::calculateMolecularOrbital(Core::Cube* cube, unsigned int state, bool beta) { // We can do some initial set up of the tools here to set electron type. if (!beta) m_tools->setElectronType(BasisSet::Alpha); else m_tools->setElectronType(BasisSet::Beta); return setUpCalculation(cube, state, GaussianSetConcurrent::processOrbital); } bool GaussianSetConcurrent::calculateElectronDensity(Core::Cube* cube) { const MatrixX& matrix = m_set->densityMatrix(); if (matrix.rows() == 0 || matrix.cols() == 0) { // we don't have a density matrix, so calculate one m_set->generateDensityMatrix(); } return setUpCalculation(cube, 0, GaussianSetConcurrent::processDensity); } bool GaussianSetConcurrent::calculateSpinDensity(Core::Cube* cube) { return setUpCalculation(cube, 0, GaussianSetConcurrent::processSpinDensity); } void GaussianSetConcurrent::calculationComplete() { // (*m_gaussianShells)[0].tCube->lock()->unlock(); delete m_gaussianShells; m_gaussianShells = nullptr; emit finished(); } bool GaussianSetConcurrent::setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(GaussianShell&)) { if (!m_set || !m_tools) return false; m_set->initCalculation(); // Set up the points we want to calculate the density at. m_gaussianShells = new QVector(static_cast(cube->data()->size())); for (int i = 0; i < m_gaussianShells->size(); ++i) { (*m_gaussianShells)[i].tools = m_tools; (*m_gaussianShells)[i].tCube = cube; (*m_gaussianShells)[i].pos = i; (*m_gaussianShells)[i].state = state; } // Lock the cube until we are done. // cube->lock()->lock(); // The main part of the mapped reduced function... m_future = QtConcurrent::map(*m_gaussianShells, func); // Connect our watcher to our future m_watcher.setFuture(m_future); return true; } void GaussianSetConcurrent::processOrbital(GaussianShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue( shell.pos, shell.tools->calculateMolecularOrbital(pos, shell.state)); } void GaussianSetConcurrent::processDensity(GaussianShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateElectronDensity(pos)); } void GaussianSetConcurrent::processSpinDensity(GaussianShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateSpinDensity(pos)); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/gaussiansetconcurrent.h000066400000000000000000000041331516317240700272300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_GAUSSIANSETCONCURRENT_H #define AVOGADRO_QTGUI_GAUSSIANSETCONCURRENT_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Cube; class Molecule; class GaussianSet; class GaussianSetTools; } // namespace Core namespace QtGui { struct GaussianShell; /** * @brief The GaussianSetConcurrent class uses GaussianSetTools to calculate * values of electronic structure properties from quantum output read in. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT GaussianSetConcurrent : public QObject { Q_OBJECT public: explicit GaussianSetConcurrent(QObject* p = nullptr); ~GaussianSetConcurrent() override; void setMolecule(Core::Molecule* mol); bool calculateMolecularOrbital(Core::Cube* cube, unsigned int state, bool beta = false); bool calculateElectronDensity(Core::Cube* cube); bool calculateSpinDensity(Core::Cube* cube); QFutureWatcher& watcher() { return m_watcher; } signals: /** * Emitted when the calculation is complete. */ void finished(); private slots: /** * Slot to set the cube data once Qt Concurrent is done */ void calculationComplete(); private: QFuture m_future; QFutureWatcher m_watcher; Core::Cube* m_cube; QVector* m_gaussianShells; Core::GaussianSet* m_set; Core::GaussianSetTools* m_tools; bool setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(GaussianShell&)); static void processOrbital(GaussianShell& shell); static void processDensity(GaussianShell& shell); static void processSpinDensity(GaussianShell& shell); }; } // namespace QtGui } // namespace Avogadro #endif // GAUSSIANSETCONCURRENT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/generichighlighter.cpp000066400000000000000000000066531516317240700267760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "generichighlighter.h" #include namespace Avogadro::QtGui { GenericHighlighter::GenericHighlighter(QObject* parent_) : QSyntaxHighlighter(parent_) { } GenericHighlighter::~GenericHighlighter() {} GenericHighlighter::GenericHighlighter(const GenericHighlighter& other) : QSyntaxHighlighter(static_cast(nullptr)) { m_rules = other.m_rules; } GenericHighlighter& GenericHighlighter::operator=(GenericHighlighter other) { swap(*this, other); return *this; } GenericHighlighter& GenericHighlighter::operator+=( const GenericHighlighter& other) { m_rules.append(other.m_rules); return *this; } GenericHighlighter::Rule& GenericHighlighter::addRule() { m_rules.push_back(Rule()); return m_rules.back(); } int GenericHighlighter::ruleCount() const { return m_rules.size(); } GenericHighlighter::Rule& GenericHighlighter::rule(int idx) { assert("idx in bounds" && idx < m_rules.size()); return m_rules[idx]; } const GenericHighlighter::Rule& GenericHighlighter::rule(int idx) const { assert("idx in bounds" && idx < m_rules.size()); return m_rules[idx]; } QList GenericHighlighter::rules() const { return m_rules; } void GenericHighlighter::highlightBlock(const QString& text) { for (auto& m_rule : m_rules) m_rule.apply(text, *this); } void GenericHighlighter::Rule::apply(const QString& text, GenericHighlighter& highlighter) { for (auto& m_pattern : m_patterns) { // each m_pattern is a QRegularExpression // We want to highlight every occurrence of m_pattern QRegularExpressionMatchIterator iterator = m_pattern.globalMatch(text); while (iterator.hasNext()) { QRegularExpressionMatch match = iterator.next(); // If using a regex with capture groups defined, we explicitly don't want // to highlight the whole expression, only the capture groups if (m_pattern.captureCount() > 0) { // Iterate over capture groups, skipping the implicit group 0 for (int i = 1; i <= match.lastCapturedIndex(); ++i) { QString captured = match.captured(i); if (!captured.isNull()) { // According to StackOverflow user "peppe", who claims to have // written the whole QRegularExpression class, the index returned is // relative to the whole string, not to the current match // https://stackoverflow.com/questions/28725588/qregularexpression-match-position-in-the-source-string int index = match.capturedStart(i); int length = match.capturedLength(i); highlighter.setFormat(index, length, m_format); } } } else { // Straightforward regex with no capture groups, highlight whole match int index = match.capturedStart(0); int length = match.capturedLength(0); highlighter.setFormat(index, length, m_format); } } } } void GenericHighlighter::Rule::addPattern(const QRegularExpression& regexp) { m_patterns.append(regexp); } void GenericHighlighter::Rule::setFormat(const QTextCharFormat& format) { m_format = format; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/generichighlighter.h000066400000000000000000000054771516317240700264460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_GENERICHIGHLIGHTER_H #define AVOGADRO_QTPLUGINS_GENERICHIGHLIGHTER_H #include "avogadroqtguiexport.h" #include #include #include #include namespace Avogadro { namespace QtGui { /** * @brief The GenericHighlighter class provides a regexp-based programmable * syntax highlighter. */ class AVOGADROQTGUI_EXPORT GenericHighlighter : public QSyntaxHighlighter { Q_OBJECT public: /** * @brief The Rule class stores a syntax highlighting rule as a set of * QRegularExpression patterns and a text format. */ class AVOGADROQTGUI_EXPORT Rule { public: Rule() {} ~Rule() {} /** Add the pattern @a regexp to this Rule. */ void addPattern(const QRegularExpression& regexp); /** Set this Rule's text format. */ void setFormat(const QTextCharFormat& format); /** Apply this rule to the string of text, updating the highlighter if any * matches are found. */ void apply(const QString& text, GenericHighlighter& highlighter); private: QList m_patterns; QTextCharFormat m_format; }; /** Construct a highlighter with an empty rule set. */ explicit GenericHighlighter(QObject* parent_ = nullptr); ~GenericHighlighter() override; /** Construct a new highlighter using the rule set of @a other. */ GenericHighlighter(const GenericHighlighter& other); /** Replace this highlighter's rule set with that of @a other. */ GenericHighlighter& operator=(GenericHighlighter other); /** Concatenate @a other's rule set with this highlighter's rule set. */ GenericHighlighter& operator+=(const GenericHighlighter& other); /** Add a new rule to this highlighter, returning a reference to the new * rule. */ Rule& addRule(); /** @return The number of rules in this highlighter. */ int ruleCount() const; /** @return A reference to the rule at the specified zero-based index. */ Rule& rule(int idx); /** @return A reference to the rule at the specified zero-based index. */ const Rule& rule(int idx) const; /** @return An ordered list of this highlighter's rules. */ QList rules() const; friend void swap(GenericHighlighter& first, GenericHighlighter& second) { using std::swap; swap(first.m_rules, second.m_rules); } protected: void highlightBlock(const QString& text) override; private: QList m_rules; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_GENERICHIGHLIGHTER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/hydrogentools.cpp000066400000000000000000000205271516317240700260370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "hydrogentools.h" #include "../core/mdlvalence_p.h" #include #include #include #include #include // C'mon windows.... #ifndef M_PI #define M_PI 3.14159265358979323846 #endif // Angle of tetrahedron #define M_TETRAHED 109.47122063449069389 using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::Core::atomValence; using Avogadro::QtGui::RWAtom; using Avogadro::QtGui::RWBond; using Avogadro::QtGui::RWMolecule; namespace { typedef Avogadro::Core::Array NeighborListType; inline unsigned int countExistingBonds(const NeighborListType& bonds) { unsigned int result(0); for (auto bond : bonds) { result += static_cast(bond.order()); } return result; } inline unsigned int lookupValency(const RWAtom& atom, unsigned int numExistingBonds) { signed char charge = atom.formalCharge(); unsigned int defaultVal = atomValence(atom.atomicNumber(), charge, numExistingBonds); // If hybridization is explicitly set (positive values, not perceived), // cap the valence at the number of bonding orbitals implied by it. // e.g., an sp2 carbon has max 3 bonds, not the default 4. auto hyb = atom.hybridization(); if (hyb > 0) { unsigned int maxFromHyb = static_cast(hyb) + 1; if (maxFromHyb < defaultVal) return maxFromHyb; } return defaultVal; } inline float hydrogenBondDistance(unsigned char otherAtomicNumber) { static double hCovRadius(Avogadro::Core::Elements::radiusCovalent(1)); double covRadius = Avogadro::Core::Elements::radiusCovalent(otherAtomicNumber); return static_cast(hCovRadius + covRadius); } } // namespace namespace Avogadro::QtGui { void HydrogenTools::removeAllHydrogens(RWMolecule& molecule) { const Array atomicNums(molecule.atomicNumbers()); size_t atomIndex = molecule.atomCount() - 1; for (auto it = atomicNums.rbegin(), itEnd = atomicNums.rend(); it != itEnd; ++it, --atomIndex) { if (*it == 1) molecule.removeAtom(atomIndex); } } void HydrogenTools::adjustHydrogens(RWMolecule& molecule, Adjustment adjustment) { // This vector stores indices of hydrogens that need to be removed. Additions // are made first, followed by removals to keep indexing sane. std::vector badHIndices; // Temporary container for calls to generateNewHydrogenPositions. std::vector newHPos; // Convert the adjustment option to a couple of booleans bool doAdd(adjustment == Add || adjustment == AddAndRemove); bool doRemove(adjustment == Remove || adjustment == AddAndRemove); // Limit to only the original atoms: const size_t numAtoms = molecule.atomCount(); // Iterate through all atoms in the molecule, adding hydrogens as needed // and building up a list of hydrogens that should be removed. for (size_t atomIndex = 0; atomIndex < numAtoms; ++atomIndex) { const RWAtom atom(molecule.atom(atomIndex)); int hDiff = valencyAdjustment(atom); // Add hydrogens: if (doAdd && hDiff > 0) { newHPos.clear(); generateNewHydrogenPositions(atom, hDiff, newHPos); for (auto& newHPo : newHPos) { RWAtom newH(molecule.addAtom(1)); newH.setPosition3d(newHPo); molecule.addBond(atom, newH, 1); } } // Add bad hydrogens to our list of hydrogens to remove: else if (doRemove && hDiff < 0) { extraHydrogenIndices(atom, -hDiff, badHIndices); } } // Remove dead hydrogens now. Remove them in reverse-index order to keep // indexing sane. if (doRemove && !badHIndices.empty()) { std::sort(badHIndices.begin(), badHIndices.end()); auto newEnd(std::unique(badHIndices.begin(), badHIndices.end())); badHIndices.resize(std::distance(badHIndices.begin(), newEnd)); for (auto it = badHIndices.rbegin(), itEnd = badHIndices.rend(); it != itEnd; ++it) { molecule.removeAtom(*it); } } } void HydrogenTools::adjustHydrogens(RWAtom& atom, Adjustment adjustment) { // Convert the adjustment option to a couple of booleans bool doAdd(adjustment == Add || adjustment == AddAndRemove); bool doRemove(adjustment == Remove || adjustment == AddAndRemove); // convenience RWMolecule* molecule = atom.molecule(); if (molecule == nullptr) return; if (doRemove) { // get the list of hydrogens connected to this std::vector badHIndices; const NeighborListType bonds(molecule->bonds(atom)); for (auto bond : bonds) { const RWAtom otherAtom = bond.getOtherAtom(atom); if (otherAtom.atomicNumber() == 1) { badHIndices.push_back(otherAtom.index()); } } // end loop through bonds std::sort(badHIndices.begin(), badHIndices.end()); auto newEnd(std::unique(badHIndices.begin(), badHIndices.end())); badHIndices.resize(std::distance(badHIndices.begin(), newEnd)); for (auto it = badHIndices.rbegin(), itEnd = badHIndices.rend(); it != itEnd; ++it) { molecule->removeAtom(*it); } } // end removing H atoms on this one int hDiff = valencyAdjustment(atom); // Add hydrogens: if (doAdd && hDiff > 0) { // Temporary container for calls to generateNewHydrogenPositions. std::vector newHPos; generateNewHydrogenPositions(atom, hDiff, newHPos); for (auto& newHPo : newHPos) { RWAtom newH(molecule->addAtom(1)); newH.setPosition3d(newHPo); molecule->addBond(atom, newH, 1); } } } int HydrogenTools::valencyAdjustment(const RWAtom& atom) { int result = 0; if (atom.isValid()) { const NeighborListType bonds(atom.molecule()->bonds(atom)); // sum of bond orders const unsigned int numberOfBonds(countExistingBonds(bonds)); const unsigned int valency(lookupValency(atom, numberOfBonds)); result = static_cast(valency) - static_cast(numberOfBonds); } // qDebug() << " valence adjustment " << result; return result; } int HydrogenTools::extraHydrogenIndices(const RWAtom& atom, int numberOfHydrogens, std::vector& indices) { if (!atom.isValid()) return 0; int result = 0; const NeighborListType bonds(atom.molecule()->bonds(atom)); for (auto it = bonds.begin(), itEnd = bonds.end(); it != itEnd && result < numberOfHydrogens; ++it) { const RWAtom otherAtom = it->getOtherAtom(atom); if (otherAtom.atomicNumber() == 1) { indices.push_back(otherAtom.index()); ++result; } } return result; } void HydrogenTools::generateNewHydrogenPositions( const RWAtom& atom, int numberOfHydrogens, std::vector& positions) { if (!atom.isValid()) return; // Get the hybridization Core::AtomHybridization hybridization = atom.hybridization(); if (hybridization == Core::HybridizationUnknown) { // Perceive it hybridization = Core::AtomUtilities::perceiveHybridization( Core::Atom(dynamic_cast(&atom.molecule()->molecule()), atom.index())); } const Avogadro::Real bondLength = hydrogenBondDistance(atom.atomicNumber()); // Get a list of all bond vectors (normalized, pointing away from 'atom') std::vector allVectors; const NeighborListType bonds(atom.molecule()->bonds(atom)); allVectors.reserve(bonds.size() + static_cast(numberOfHydrogens)); for (auto bond : bonds) { RWAtom otherAtom = bond.getOtherAtom(atom); Vector3 delta = otherAtom.position3d() - atom.position3d(); if (!delta.isZero(1e-5)) { allVectors.push_back(delta.normalized()); } } for (int impHIndex = 0; impHIndex < numberOfHydrogens; ++impHIndex) { // First try to derive the bond vector based on the hybridization // Fallback will be to a random vector Vector3 newPos = Core::AtomUtilities::generateNewBondVector( Core::Atom(dynamic_cast(&atom.molecule()->molecule()), atom.index()), allVectors, hybridization); allVectors.push_back(newPos); positions.emplace_back(atom.position3d() + (newPos * bondLength)); } } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/hydrogentools.h000066400000000000000000000064011516317240700254770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_HYDROGENTOOLS_H #define AVOGADRO_QTGUI_HYDROGENTOOLS_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace QtGui { class RWAtom; class RWMolecule; class AVOGADROQTGUI_EXPORT HydrogenTools { public: /** * Remove all hydrogen atoms from @a molecule. */ static void removeAllHydrogens(RWMolecule& molecule); /** * Enum values that control the adjustHydrogen function's behavior. */ enum Adjustment { /** Only add hydrogens to underbonded atoms. */ Add = 0, /** Only remove hydrogens from overbonded atoms. */ Remove, /** Add hydrogens to underbonded atoms and remove hydrogens from * overbonded atoms. */ AddAndRemove }; /** * Add/remove hydrogens on @a molecule to satisfy valency. */ static void adjustHydrogens(RWMolecule& molecule, Adjustment adjustment = AddAndRemove); /** * Add/remove hydrogens on @a atom to satisfy valency. */ static void adjustHydrogens(RWAtom& atom, Adjustment adjustment = AddAndRemove); /** * @return The number of bonds that need to be added or removed from * @a atom to satisfy valency. A positive number indicates the number of * bonds to add, a negative number indicates the number of bonds that need to * be removed. */ static int valencyAdjustment(const RWAtom& atom); /** * Obtain the indices of hydrogens that can be removed from @a atom. * @param atom The atom from which to prune hydrogens. * @param numberOfHydrogens The maximum number of hydrogens to prune. * @param indices A vector that will be appended with the indices of the * hydrogens to remove. * @return The number of hydrogen indices appended to @a indices. * @note This function modifies neither @a atom nor its parent molecule. It * only pushes the indices of hydrogens to remove to the end of @a indices. */ static int extraHydrogenIndices(const RWAtom& atom, int numberOfHydrogens, std::vector& indices); /** * Generate positions for @a numberOfHydrogens hydrogens bonded to @a atom. * @param positions Vector of positions that will be appended with @a * numberOfHydrogens hydrogen locations. * @note There is nothing intelligent going on here. The new positions are * randomly oriented and have a length that is the sum of @a atom's and * hydrogen's covalent radii. Effort is made to prevent overlap with other * bonded atoms, but this is not guaranteed. */ static void generateNewHydrogenPositions(const RWAtom& atom, int numberOfHydrogens, std::vector& positions); private: HydrogenTools(); // Not implemented ~HydrogenTools(); // Not implemented }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_HYDROGENTOOLS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/icons/000077500000000000000000000000001516317240700235405ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/icons/colormap/000077500000000000000000000000001516317240700253545ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/icons/colormap/balance.png000066400000000000000000000001731516317240700274500ustar00rootroot00000000000000PNG  IHDRh6BIDATxcV4 !]}ΊV:uW޼Bo mv ݸņQ 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This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "insertfragmentdialog.h" #include "sortfiltertreeproxymodel.h" #include "ui_insertfragmentdialog.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { class InsertFragmentDialog::Private { public: QFileSystemModel* model; SortFilterTreeProxyModel* proxy; QModelIndex proxyRoot; QString currentFileName; bool crystalFiles; // are we inserting crystals (i.e., don't center) ~Private() { delete model; // proxy is handled through the model } }; InsertFragmentDialog::InsertFragmentDialog(QWidget* aParent, QString directory) : QDialog(aParent), m_ui(new Ui::InsertFragmentDialog), m_implementation(new Private) { setWindowFlags(Qt::Dialog | Qt::Tool); m_ui->setupUi(this); // to start, hide the preview m_ui->preview->hide(); m_implementation->currentFileName.clear(); if (directory.contains(QLatin1String("crystals"))) m_implementation->crystalFiles = true; else m_implementation->crystalFiles = false; // we check for the downloaded version first QStringList dirs; QStringList stdPaths = QStandardPaths::standardLocations(QStandardPaths::AppLocalDataLocation); foreach (const QString& dirStr, stdPaths) { QString path = dirStr + "/data"; dirs << path; // we'll check if these exist below } // add in paths relative to the binary (e.g. for development) dirs << QCoreApplication::applicationDirPath() + "/../" + QtGui::Utilities::dataDirectory() + "/avogadro2"; #ifdef Q_WS_X11 dirs << QString(INSTALL_PREFIX) + "/share/avogadro2/"; #else // Mac and Windows use relative path from application location dirs << QCoreApplication::applicationDirPath() + "/../share/avogadro2"; #endif QString m_directory; QDir dir; foreach (const QString& dirStr, dirs) { qDebug() << "Checking for " << directory << " data in" << dirStr; QDir testdir(dirStr + '/' + directory); if (testdir.exists() && testdir.isReadable()) { m_directory = testdir.absolutePath(); break; } } if (m_directory.isEmpty()) { // Can't really do anything! m_ui->directoryTreeView->setEnabled(false); m_ui->insertFragmentButton->setEnabled(false); m_ui->filterLineEdit->setEnabled(false); return; } m_implementation->model = new QFileSystemModel(this); m_implementation->model->setReadOnly(true); QModelIndex rootIndex = m_implementation->model->setRootPath(m_directory); QStringList filters; if (m_implementation->crystalFiles) filters << "*.cif"; else filters << "*.cjson" << "*.cml"; m_implementation->model->setNameFilters(filters); m_implementation->proxy = new SortFilterTreeProxyModel(this); m_implementation->proxy->setSourceModel(m_implementation->model); m_implementation->proxy->setSortLocaleAware(true); // important for files // map from the root path to the proxy index m_implementation->proxyRoot = m_implementation->proxy->mapFromSource(rootIndex); // Our custom class needs this to prevent becoming rootless m_implementation->proxy->setSourceRoot(rootIndex); m_ui->directoryTreeView->setModel(m_implementation->proxy); // remember to map from the source to the proxy index m_ui->directoryTreeView->setRootIndex(m_implementation->proxyRoot); // hide everything but the filename for (int i = 1; i < m_implementation->model->columnCount(); ++i) m_ui->directoryTreeView->hideColumn(i); m_ui->directoryTreeView->setSelectionMode(QAbstractItemView::SingleSelection); m_ui->directoryTreeView->setSelectionBehavior(QAbstractItemView::SelectRows); m_ui->directoryTreeView->setUniformRowHeights(true); connect(m_ui->insertFragmentButton, SIGNAL(clicked(bool)), this, SLOT(activated())); connect(m_ui->directoryTreeView, SIGNAL(doubleClicked(const QModelIndex)), this, SLOT(activated())); connect(m_ui->directoryTreeView, SIGNAL(activated(const QModelIndex)), this, SLOT(activated())); connect(m_ui->filterLineEdit, SIGNAL(textChanged(const QString&)), this, SLOT(filterTextChanged(const QString&))); connect(m_ui->directoryTreeView->selectionModel(), SIGNAL(currentChanged(const QModelIndex&, const QModelIndex&)), this, SLOT(currentChanged(const QModelIndex&, const QModelIndex&))); } InsertFragmentDialog::~InsertFragmentDialog() { delete m_ui; delete m_implementation; } QString InsertFragmentDialog::fileName() { if (m_implementation == nullptr || m_implementation->model == nullptr) return QString(); // The selected model index is in the proxy QModelIndexList selected = m_ui->directoryTreeView->selectionModel()->selectedIndexes(); if (selected.isEmpty()) { return QString(); } // Remember to map to the source model return selected.first().data(QFileSystemModel::FilePathRole).toString(); } void InsertFragmentDialog::currentChanged(const QModelIndex& selected, const QModelIndex& deselected) { Q_UNUSED(deselected) if (m_implementation == nullptr || m_implementation->model == nullptr) return; // Remember to map to the source model QString fileName = selected.data(QFileSystemModel::FilePathRole).toString(); QFileInfo info(fileName); if (!info.isDir()) { // get the image name -- default to svg QString imgName = info.absolutePath() + '/' + info.baseName() + ".svg"; // check if the svg exists, if not try png if (!QFile::exists(imgName)) { imgName = info.absolutePath() + '/' + info.baseName() + ".png"; } m_ui->preview->setIcon(QIcon(imgName)); m_ui->preview->show(); } else m_ui->preview->hide(); } void InsertFragmentDialog::refresh() { m_ui->directoryTreeView->update(); } void InsertFragmentDialog::filterTextChanged(const QString& newFilter) { if (!m_implementation || !m_implementation->proxy) return; // no dialog or proxy model to set // Allow things like "ti" to match "Ti" etc. QRegularExpression reg(newFilter, QRegularExpression::CaseInsensitiveOption); m_implementation->proxy->setFilterRegularExpression(reg); if (!newFilter.isEmpty()) { // user interface niceness -- show any file match m_ui->directoryTreeView->expandToDepth(2); } } void InsertFragmentDialog::activated() { QString currentFileName = fileName(); // check to see if it's an actual file and not a directory if (currentFileName.isEmpty() || !QFileInfo(currentFileName).isFile()) { return; } emit performInsert(currentFileName, m_implementation->crystalFiles); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/insertfragmentdialog.h000066400000000000000000000024741516317240700270150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_INSERTFRAGMENTDIALOG_H #define AVOGADRO_QTGUI_INSERTFRAGMENTDIALOG_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { namespace Ui { class InsertFragmentDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class AVOGADROQTGUI_EXPORT InsertFragmentDialog : public QDialog { Q_OBJECT public: explicit InsertFragmentDialog(QWidget* parent = nullptr, QString directory = "molecules"); ~InsertFragmentDialog() override; QString fileName(); public Q_SLOTS: void refresh(); void filterTextChanged(const QString&); void activated(); void currentChanged(const QModelIndex& selected, const QModelIndex& deselected); Q_SIGNALS: void performInsert(const QString& fileName, bool crystal); private: Ui::InsertFragmentDialog* m_ui; class Private; Private* m_implementation; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_InsertFragmentDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/insertfragmentdialog.ui000066400000000000000000000054551516317240700272050ustar00rootroot00000000000000 Avogadro::QtGui::InsertFragmentDialog 0 0 412 376 Insert Fragment… Filter: Type a name or part of a name to show only matching files. border-radius: 4px; true 128 128 Qt::Horizontal Qt::Horizontal 40 20 Insert true false Qt::Horizontal 40 20 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/interfacescript.cpp000066400000000000000000000752041516317240700263260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "interfacescript.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { using QtGui::GenericHighlighter; using QtGui::PythonScript; // Strip any leading non-JSON output (e.g. deprecation warnings printed to // stdout by third-party libraries). Find the first '{' or '['. static void stripLeadingNonJson(QByteArray& data) { qsizetype jsonObj = data.indexOf('{'); qsizetype jsonArr = data.indexOf('['); qsizetype jsonStart = (jsonObj < 0) ? jsonArr : (jsonArr < 0) ? jsonObj : qMin(jsonObj, jsonArr); if (jsonStart > 0) { if (!qgetenv("AVO_PYTHON_SCRIPT_DEBUG").isEmpty()) { qDebug() << "InterfaceScript: stripping leading non-JSON output:\n" << data.left(jsonStart); } data = data.mid(jsonStart); } } InterfaceScript::InterfaceScript(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(scriptFilePath_, this)), m_moleculeExtension(QStringLiteral("Unknown")) { } InterfaceScript::InterfaceScript(QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(this)), m_moleculeExtension(QStringLiteral("Unknown")) { } InterfaceScript::~InterfaceScript() {} bool InterfaceScript::debug() const { return m_interpreter->debug(); } QJsonObject InterfaceScript::options() const { m_errors.clear(); if (m_options.isEmpty()) { qDeleteAll(m_highlightStyles.values()); m_highlightStyles.clear(); // Retrieve/set options QByteArray json = m_interpreter->execute( QStringList() << QStringLiteral("--print-options")); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return m_options; } QJsonDocument doc; if (!parseJson(json, doc)) return m_options; if (!doc.isObject()) { m_errors << tr("script --print-options output must be an JSON object " "at top level. Received:\n%1") .arg(json.constData()); return m_options; } m_options = doc.object(); if (m_options.contains(QStringLiteral("highlightStyles")) && m_options.value(QStringLiteral("highlightStyles")).isArray()) { if (!parseHighlightStyles( m_options.value(QStringLiteral("highlightStyles")).toArray())) { qDebug() << "Failed to parse highlighting styles."; } } } // Check if the generator needs to read a molecule. m_moleculeExtension = QLatin1String("cjson"); if (m_options.contains(QStringLiteral("inputMoleculeFormat")) && m_options[QStringLiteral("inputMoleculeFormat")].isString()) { m_moleculeExtension = m_options[QStringLiteral("inputMoleculeFormat")].toString(); } return m_options; } QString InterfaceScript::displayName() const { m_errors.clear(); if (m_displayName.isEmpty()) { if (m_interpreter->isPackageMode()) { m_displayName = m_interpreter->packageDisplayName().trimmed(); if (m_displayName.isEmpty()) m_displayName = m_interpreter->packageIdentifier().trimmed(); } else { m_displayName = QString(m_interpreter->execute( QStringList() << QStringLiteral("--display-name"))); m_errors << m_interpreter->errorList(); m_displayName = m_displayName.trimmed(); } } return m_displayName; } QString InterfaceScript::menuPath() const { m_errors.clear(); if (m_menuPath.isEmpty()) { m_menuPath = QString( m_interpreter->execute(QStringList() << QStringLiteral("--menu-path"))); m_errors << m_interpreter->errorList(); m_menuPath = m_menuPath.trimmed(); } return m_menuPath; } QString InterfaceScript::scriptFilePath() const { return m_interpreter->scriptFilePath(); } void InterfaceScript::setScriptFilePath(const QString& scriptFile) { reset(); m_interpreter->setScriptFilePath(scriptFile); } void InterfaceScript::setOptionsJson(const QJsonObject& opts) { m_options = opts; } void InterfaceScript::reset() { m_interpreter->setDefaultPythonInterpreter(); m_interpreter->setScriptFilePath(QString()); m_moleculeExtension = QLatin1String("Unknown"); m_displayName = QString(); m_options = QJsonObject(); m_warnings.clear(); m_errors.clear(); m_filenames.clear(); m_mainFileName.clear(); m_files.clear(); m_fileHighlighters.clear(); m_highlightStyles.clear(); } bool InterfaceScript::runCommand(const QJsonObject& options_, Core::Molecule* mol) { m_errors.clear(); m_warnings.clear(); m_filenames.clear(); qDeleteAll(m_fileHighlighters.values()); m_fileHighlighters.clear(); m_mainFileName.clear(); m_files.clear(); // Add the molecule file to the options QJsonObject allOptions(options_); if (!insertMolecule(allOptions, *mol)) return false; connect(m_interpreter, &PythonScript::finished, this, &::Avogadro::QtGui::InterfaceScript::commandFinished); // Package-mode scripts take no command-line flag; the identifier is already // the positional argument and JSON arrives on stdin (mirrors // InputGenerator::generateInput() which passes QStringList()). QStringList runArgs; if (!m_interpreter->isPackageMode()) runArgs << QStringLiteral("--run-command"); m_interpreter->asyncExecute(runArgs, QJsonDocument(allOptions).toJson()); return true; } void InterfaceScript::commandFinished() { emit finished(); } bool InterfaceScript::processCommand(Core::Molecule* mol) { if (m_interpreter == nullptr) return false; QByteArray json(m_interpreter->asyncResponse()); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return false; } stripLeadingNonJson(json); QJsonDocument doc; if (!parseJson(json, doc)) { return false; } // Update cache bool result = true; if (doc.isObject()) { QJsonObject obj = doc.object(); // Check for any warnings: if (obj.contains(QStringLiteral("warnings"))) { if (obj[QStringLiteral("warnings")].isArray()) { foreach (const QJsonValue& warning, obj["warnings"].toArray()) { if (warning.isString()) m_warnings << warning.toString(); else m_errors << tr("Non-string warning returned."); } } else { m_errors << tr("'warnings' member is not an array."); } } m_moleculeExtension = "cjson"; if (obj.contains("moleculeFormat") && obj["moleculeFormat"].isString()) { m_moleculeExtension = obj["moleculeFormat"].toString(); } Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); if (format.isNull()) { m_errors << tr("Error reading molecule representation: " "Unrecognized file format: %1") .arg(m_moleculeExtension); return false; } auto* guiMol = static_cast(mol); QtGui::Molecule newMol(guiMol->parent()); if (m_moleculeExtension == "cjson") { // convert the "cjson" field to a string QJsonObject cjsonObj = obj["cjson"].toObject(); QJsonDocument doc2(cjsonObj); QString strCJSON(doc2.toJson(QJsonDocument::Compact)); if (!strCJSON.isEmpty()) { result = format->readString(strCJSON.toStdString(), newMol); } } else if (obj.contains(m_moleculeExtension) && obj[m_moleculeExtension].isString()) { QString strFile = obj[m_moleculeExtension].toString(); result = format->readString(strFile.toStdString(), newMol); } // check if the script wants us to perceive bonds first if (obj["bond"].toBool()) { newMol.perceiveBondsSimple(); newMol.perceiveBondOrders(); } // how do we handle this result? if (obj["readProperties"].toBool()) { guiMol->readProperties(newMol); guiMol->emitChanged(Molecule::Properties | Molecule::Added); } else if (obj["append"].toBool()) { guiMol->undoMolecule()->appendMolecule(newMol, m_displayName); } else { // replace the whole molecule Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed); guiMol->undoMolecule()->modifyMolecule(newMol, changes, m_displayName); } // select some atoms if (obj.contains("selectedAtoms") && obj["selectedAtoms"].isArray()) { QJsonArray selectedList = obj["selectedAtoms"].toArray(); for (auto&& i : selectedList) { if (i.isDouble()) { auto index = static_cast(i.toDouble()); if (index < guiMol->atomCount()) guiMol->undoMolecule()->setAtomSelected(index, true); } } guiMol->emitChanged(Molecule::Atoms); } // check if there are messages for the user auto extractMessage = [](const QJsonValue& val) -> QString { if (val.isString()) return val.toString(); if (val.isArray()) { QString result; const QJsonArray arr = val.toArray(); for (const auto& item : arr) { if (item.isString()) result += item.toString() + '\n'; } return result; } return {}; }; if (obj.contains("message")) { QString message = extractMessage(obj["message"]); if (!message.isEmpty()) { QMessageBox::information(qobject_cast(parent()), tr("%1 Message").arg(m_displayName), message); } } if (obj.contains("warning")) { QString message = extractMessage(obj["warning"]); if (!message.isEmpty()) { QMessageBox::warning(qobject_cast(parent()), tr("%1 Warning").arg(m_displayName), message); } } if (obj.contains("error")) { QString message = extractMessage(obj["error"]); if (!message.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("%1 Error").arg(m_displayName), message); } } } return result; } bool InterfaceScript::generateInput(const QJsonObject& options_, const Core::Molecule& mol) { m_errors.clear(); m_warnings.clear(); m_filenames.clear(); qDeleteAll(m_fileHighlighters.values()); m_fileHighlighters.clear(); m_mainFileName.clear(); m_files.clear(); // Add the molecule file to the options QJsonObject allOptions(options_); if (!insertMolecule(allOptions, mol)) return false; QByteArray json( m_interpreter->execute(QStringList() << QStringLiteral("--generate-input"), QJsonDocument(allOptions).toJson())); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return false; } QJsonDocument doc; if (!parseJson(json, doc)) return false; // Update cache bool result = true; if (doc.isObject()) { QJsonObject obj = doc.object(); // Check for any warnings: if (obj.contains(QStringLiteral("warnings"))) { if (obj[QStringLiteral("warnings")].isArray()) { foreach (const QJsonValue& warning, obj["warnings"].toArray()) { if (warning.isString()) m_warnings << warning.toString(); else m_errors << tr("Non-string warning returned."); } } else { m_errors << tr("'warnings' member is not an array."); } } // Extract input file text: if (obj.contains(QStringLiteral("files"))) { if (obj[QStringLiteral("files")].isArray()) { foreach (const QJsonValue& file, obj["files"].toArray()) { if (file.isObject()) { QJsonObject fileObj = file.toObject(); if (fileObj[QStringLiteral("filename")].isString()) { QString fileName = fileObj[QStringLiteral("filename")].toString(); QString contents; if (fileObj[QStringLiteral("contents")].isString()) { contents = fileObj[QStringLiteral("contents")].toString(); } else if (fileObj[QStringLiteral("filePath")].isString()) { QFile refFile(fileObj[QStringLiteral("filePath")].toString()); if (refFile.exists() && refFile.open(QFile::ReadOnly)) { contents = QString(refFile.readAll()); } else { contents = tr("Reference file '%1' does not exist.") .arg(refFile.fileName()); m_warnings << tr("Error populating file %1: %2") .arg(fileName, contents); } } else { m_errors << tr("File '%1' poorly formed. Missing string " "'contents' or 'filePath' members.") .arg(fileName); contents = m_errors.back(); result = false; } replaceKeywords(contents, mol); m_filenames << fileName; m_files.insert(fileObj[QStringLiteral("filename")].toString(), contents); // Concatenate the requested styles for this input file. if (fileObj[QStringLiteral("highlightStyles")].isArray()) { auto* highlighter(new GenericHighlighter(this)); foreach (const QJsonValue& styleVal, fileObj["highlightStyles"].toArray()) { if (styleVal.isString()) { QString styleName(styleVal.toString()); if (m_highlightStyles.contains(styleName)) { *highlighter += *m_highlightStyles[styleName]; } else { qDebug() << "Cannot find highlight style '" << styleName << "' for file '" << fileName << "'"; } } } if (highlighter->ruleCount() > 0) m_fileHighlighters[fileName] = highlighter; else highlighter->deleteLater(); } } else { result = false; m_errors << tr("Malformed file entry: filename/contents missing" " or not strings:\n%1") .arg(QString(QJsonDocument(fileObj).toJson())); } // end if/else filename and contents are strings } else { result = false; m_errors << tr("Malformed file entry at index %1: Not an object.") .arg(m_filenames.size()); } // end if/else file is JSON object } // end foreach file } else { result = false; m_errors << tr("'files' member not an array."); } // end if obj["files"] is JSON array } else { result = false; m_errors << tr("'files' member missing."); } // end if obj contains "files" // Extract main input filename: if (obj.contains(QStringLiteral("mainFile"))) { if (obj[QStringLiteral("mainFile")].isString()) { QString mainFile = obj[QStringLiteral("mainFile")].toString(); if (m_filenames.contains(mainFile)) { m_mainFileName = mainFile; } else { result = false; m_errors << tr("'mainFile' member does not refer to an entry in " "'files'."); } // end if/else mainFile is known } else { result = false; m_errors << tr("'mainFile' member must be a string."); } // end if/else mainFile is string } else { // If no mainFile is specified and there is only one file, use it as the // main file. Otherwise, don't set a main input file -- all files will // be treated as supplemental input files if (m_filenames.size() == 1) m_mainFileName = m_filenames.first(); } // end if/else object contains mainFile } else { result = false; m_errors << tr("Response must be a JSON object at top-level."); } if (result == false) m_errors << tr("Script output:\n%1").arg(QString(json)); return result; } int InterfaceScript::numberOfInputFiles() const { return m_filenames.size(); } QStringList InterfaceScript::fileNames() const { return m_filenames; } QString InterfaceScript::mainFileName() const { return m_mainFileName; } QString InterfaceScript::fileContents(const QString& fileName) const { return m_files.value(fileName, QString()); } GenericHighlighter* InterfaceScript::createFileHighlighter( const QString& fileName) const { GenericHighlighter* toClone(m_fileHighlighters.value(fileName, nullptr)); return toClone ? new GenericHighlighter(*toClone) : toClone; } void InterfaceScript::setDebug(bool d) { m_interpreter->setDebug(d); } bool InterfaceScript::parseJson(const QByteArray& json, QJsonDocument& doc) const { QJsonParseError error; doc = QJsonDocument::fromJson(json, &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Parse error at offset %L1: '%2'\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString(json)); return false; } return true; } bool InterfaceScript::insertMolecule(QJsonObject& json, const Core::Molecule& mol) const { // Update the cached options if the format is not set if (m_moleculeExtension == QLatin1String("Unknown")) options(); if (m_moleculeExtension == QLatin1String("None")) return true; // Always insert the selected atoms QJsonArray selectedList; for (Index i = 0; i < mol.atomCount(); ++i) { if (mol.atomSelected(i)) selectedList.append(static_cast(i)); } json.insert("selectedAtoms", selectedList); // insert the total charge json.insert("charge", mol.totalCharge()); // insert the spin multiplicity json.insert("spin", mol.totalSpinMultiplicity()); Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); QScopedPointer cjsonFormat( formats.newFormatFromFileExtension("cjson")); // If we want something *other* than CJSON, check that we can supply that // format if (format.isNull()) { m_errors << tr("Error writing molecule representation to string: " "Unrecognized file format: %1") .arg(m_moleculeExtension); return false; } std::string str; if (!format->writeString(str, mol)) { m_errors << tr("Error writing molecule representation to string: %1") .arg(QString::fromStdString(format->error())); return false; } // if we need a different format, insert it if (m_moleculeExtension != QLatin1String("cjson")) { json.insert(m_moleculeExtension, QJsonValue(QString::fromStdString(str))); } // We will *always* write the CJSON representation // Embed CJSON as actual JSON, rather than a string, // .. so we'll have to re-parse it cjsonFormat->writeString(str, mol); QJsonParseError error; QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Error generating cjson object: Parse error at offset %1: " "%2\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString::fromStdString(str)); return false; } if (!doc.isObject()) { m_errors << tr("Error generator cjson object: Parsed JSON is not an " "object:\n%1") .arg(QString::fromStdString(str)); return false; } json.insert("cjson", doc.object()); return true; } QString InterfaceScript::generateCoordinateBlock( const QString& spec, const Core::Molecule& mol) const { Core::CoordinateBlockGenerator gen; gen.setMolecule(&mol); gen.setSpecification(spec.toStdString()); std::string tmp(gen.generateCoordinateBlock()); if (!tmp.empty()) tmp.resize(tmp.size() - 1); // Pop off the trailing newline return QString::fromStdString(tmp); } void InterfaceScript::replaceKeywords(QString& str, const Core::Molecule& mol) const { // Simple keywords: str.replace(QLatin1String("$$atomCount$$"), QString::number(mol.atomCount())); str.replace(QLatin1String("$$bondCount$$"), QString::number(mol.bondCount())); // Find each coordinate block keyword in the file, then generate and replace // it with the appropriate values. QRegularExpression coordParser(R"(\$\$coords:([^\$]*)\$\$)"); QRegularExpressionMatch match; int ind = 0; // Not sure while this needs to be a while statement since we replace all in // one go? We never iterate ind... while ((match = coordParser.match(str, ind)).hasMatch()) { // Extract spec and prepare the replacement const QString keyword = match.captured(0); const QString spec = match.captured(1); // Replace all blocks with this signature str.replace(keyword, generateCoordinateBlock(spec, mol)); } // end for coordinate block } bool InterfaceScript::parseHighlightStyles(const QJsonArray& json) const { bool result(true); foreach (QJsonValue styleVal, json) { if (!styleVal.isObject()) { qDebug() << "Non-object in highlightStyles array."; result = false; continue; } QJsonObject styleObj(styleVal.toObject()); if (!styleObj.contains(QStringLiteral("style"))) { qDebug() << "Style object missing 'style' member."; result = false; continue; } if (!styleObj.value(QStringLiteral("style")).isString()) { qDebug() << "Style object contains non-string 'style' member."; result = false; continue; } QString styleName(styleObj.value(QStringLiteral("style")).toString()); if (m_highlightStyles.contains(styleName)) { qDebug() << "Duplicate highlight style: " << styleName; result = false; continue; } if (!styleObj.contains(QStringLiteral("rules"))) { qDebug() << "Style object" << styleName << "missing 'rules' member."; result = false; continue; } if (!styleObj.value(QStringLiteral("rules")).isArray()) { qDebug() << "Style object" << styleName << "contains non-array 'rules' member."; result = false; continue; } QJsonArray rulesArray(styleObj.value(QStringLiteral("rules")).toArray()); auto* highlighter( new GenericHighlighter(const_cast(this))); if (!parseRules(rulesArray, *highlighter)) { qDebug() << "Error parsing style" << styleName << '\n' << QString(QJsonDocument(styleObj).toJson()); highlighter->deleteLater(); result = false; continue; } m_highlightStyles.insert(styleName, highlighter); } return result; } bool InterfaceScript::parseRules(const QJsonArray& json, GenericHighlighter& highlighter) const { bool result(true); foreach (QJsonValue ruleVal, json) { if (!ruleVal.isObject()) { qDebug() << "Rule is not an object."; result = false; continue; } QJsonObject ruleObj(ruleVal.toObject()); if (!ruleObj.contains(QStringLiteral("patterns"))) { qDebug() << "Rule missing 'patterns' array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value(QStringLiteral("patterns")).isArray()) { qDebug() << "Rule 'patterns' member is not an array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonArray patternsArray( ruleObj.value(QStringLiteral("patterns")).toArray()); if (!ruleObj.contains(QStringLiteral("format"))) { qDebug() << "Rule missing 'format' object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value(QStringLiteral("format")).isObject()) { qDebug() << "Rule 'format' member is not an object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonObject formatObj(ruleObj.value(QStringLiteral("format")).toObject()); GenericHighlighter::Rule& rule = highlighter.addRule(); foreach (QJsonValue patternVal, patternsArray) { QRegularExpression pattern; if (!parsePattern(patternVal, pattern)) { qDebug() << "Error while parsing pattern:" << '\n' << QString(QJsonDocument(patternVal.toObject()).toJson()); result = false; continue; } rule.addPattern(pattern); } QTextCharFormat format; if (!parseFormat(formatObj, format)) { qDebug() << "Error while parsing format:" << '\n' << QString(QJsonDocument(formatObj).toJson()); result = false; } rule.setFormat(format); } return result; } bool InterfaceScript::parseFormat(const QJsonObject& json, QTextCharFormat& format) const { // Check for presets first: if (json.contains(QStringLiteral("preset"))) { if (!json[QStringLiteral("preset")].isString()) { qDebug() << "Preset is not a string."; return false; } QString preset(json[QStringLiteral("preset")].toString()); /// @todo Store presets in a singleton that can be configured in the GUI, /// rather than hardcoding them. if (preset == QLatin1String("title")) { format.setFontFamily(QStringLiteral("serif")); format.setForeground(Qt::darkGreen); format.setFontWeight(QFont::Bold); } else if (preset == QLatin1String("keyword")) { format.setFontFamily(QStringLiteral("mono")); format.setForeground(Qt::darkBlue); } else if (preset == QLatin1String("property")) { format.setFontFamily(QStringLiteral("mono")); format.setForeground(Qt::darkRed); } else if (preset == QLatin1String("literal")) { format.setFontFamily(QStringLiteral("mono")); format.setForeground(Qt::darkMagenta); } else if (preset == QLatin1String("comment")) { format.setFontFamily(QStringLiteral("serif")); format.setForeground(Qt::darkGreen); format.setFontItalic(true); } else { qDebug() << "Invalid style preset: " << preset; return false; } return true; } // Extract an RGB tuple from 'array' as a QBrush: struct { QBrush operator()(const QJsonArray& array, bool* ok) { *ok = false; QBrush result; if (array.size() != 3) return result; int rgb[3]; for (int i = 0; i < 3; ++i) { if (!array.at(i).isDouble()) return result; rgb[i] = static_cast(array.at(i).toDouble()); if (rgb[i] < 0 || rgb[i] > 255) { qDebug() << "Warning: Color component value invalid: " << rgb[i] << " (Valid range is 0-255)."; } } result.setColor(QColor(rgb[0], rgb[1], rgb[2])); result.setStyle(Qt::SolidPattern); *ok = true; return result; } } colorParser; if (json.contains(QStringLiteral("foreground")) && json.value(QStringLiteral("foreground")).isArray()) { QJsonArray foregroundArray( json.value(QStringLiteral("foreground")).toArray()); bool ok; format.setForeground(colorParser(foregroundArray, &ok)); if (!ok) return false; } if (json.contains(QStringLiteral("background")) && json.value(QStringLiteral("background")).isArray()) { QJsonArray backgroundArray( json.value(QStringLiteral("background")).toArray()); bool ok; format.setBackground(colorParser(backgroundArray, &ok)); if (!ok) return false; } if (json.contains(QStringLiteral("attributes")) && json.value(QStringLiteral("attributes")).isArray()) { QJsonArray attributesArray( json.value(QStringLiteral("attributes")).toArray()); format.setFontWeight(attributesArray.contains(QLatin1String("bold")) ? QFont::Bold : QFont::Normal); format.setFontItalic(attributesArray.contains(QLatin1String("italic"))); format.setFontUnderline( attributesArray.contains(QLatin1String("underline"))); } if (json.contains(QStringLiteral("family")) && json.value(QStringLiteral("family")).isString()) { format.setFontFamily(json.value(QStringLiteral("family")).toString()); } return true; } bool InterfaceScript::parsePattern(const QJsonValue& json, QRegularExpression& pattern) const { if (!json.isObject()) return false; QJsonObject patternObj(json.toObject()); QString regexPattern; QRegularExpression::PatternOptions patternOptions = QRegularExpression::NoPatternOption; if (patternObj.contains(QStringLiteral("regexp")) && patternObj.value(QStringLiteral("regexp")).isString()) { // Use the provided regular expression as-is regexPattern = patternObj.value(QStringLiteral("regexp")).toString(); } else if (patternObj.contains(QStringLiteral("wildcard")) && patternObj.value(QStringLiteral("wildcard")).isString()) { // Convert wildcard pattern (* -> .* and ? -> .) QString wildcard = patternObj.value(QStringLiteral("wildcard")).toString(); regexPattern = QRegularExpression::escape(wildcard) .replace("\\*", ".*") .replace("\\?", "."); } else if (patternObj.contains(QStringLiteral("string")) && patternObj.value(QStringLiteral("string")).isString()) { // Escape the string so it is treated literally in the regex regexPattern = QRegularExpression::escape( patternObj.value(QStringLiteral("string")).toString()); } else { return false; } // Set case sensitivity if specified if (patternObj.contains(QStringLiteral("caseSensitive"))) { bool caseSensitive = patternObj.value(QStringLiteral("caseSensitive")).toBool(true); if (!caseSensitive) { patternOptions |= QRegularExpression::CaseInsensitiveOption; } } // Set the final pattern with options pattern = QRegularExpression(regexPattern, patternOptions); return pattern.isValid(); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/interfacescript.h000066400000000000000000000562531516317240700257760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_INTERFACESCRIPT_H #define AVOGADRO_QTGUI_INTERFACESCRIPT_H #include #include "avogadroqtguiexport.h" #include #include #include #include #include class QJsonDocument; class QProcess; class QTextCharFormat; namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { class GenericHighlighter; class PythonScript; /** * @class InterfaceScript interfacescript.h * @brief The Interface class provides an interface to external scripts * @sa InterfaceWidget * * The QuantumInput extension provides a scriptable method for users to add * custom input generators to Avogadro. By writing an executable that implements * the interface defined below, new input generators can be created faster and * easier than writing full Avogadro extensions. * * Script Entry Points * =================== * * The script must handle the following command-line arguments: * - `--debug` Enable extra debugging output. Used with other commands. * It is not required that the script support extra debugging, but it should * not crash when this option is passed. * - `--print-options` Print the available options supported by the * script, e.g. simulation parameters, etc. See below for more details. * - `--generate-input` Read an option block from stdin and print * input files to stdout. See below for more details. * - `--display-name` Print a user-friendly name for the input generator. * This is used in the GUI for menu entries, window titles, etc. * * Specifying parameters with `--print-options` * ============================================ * * The format of the `--print-options` output must be a JSON object of * the following form: ~~~{.js} { "userOptions": { ... }, "highlightStyles": [ { "style": "Descriptive name", "rules": [ { "patterns": [ ... ], "format": { ... } }, ... ], }, ... ], "inputMoleculeFormat": "cjson" } ~~~ * The `userOptions` block contains a JSON object keyed with option names * (e.g. "First option name"), which are used in the GUI to label simulation * parameter settings. Various parameter types are supported: * * Fixed Mutually-Exclusive Parameter Lists * ---------------------------------------- * * Parameters that have a fixed number of mutually-exclusive string values will * be presented using a QComboBox. Such a parameter can be specified in the * `userOptions` block as: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "stringList", "values": ["Option 1", "Option 2", "Option 3"], "default": 0 } } } ~~~ * Here, `Parameter Name` is the label that will be displayed in the GUI as a * label next to the combo box. * The array of strings in `values` will be used as the available entries in * the combo box in the order they are written. * `default` is a zero-based index into the `values` array and indicates * which value should be initially selected by default. * * Short Free-Form Text Parameters * ------------------------------- * * A short text string can be requested (e.g. for the "title" of an * optimization) via: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "string", "default": "blah blah blah" } } } ~~~ * This will add a QLineEdit to the GUI, initialized with the text specified by * `default`. * * Existing files * -------------- * * An input generator can ask for the absolute path to an existing file using * the following option block: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "filePath", "default": "/path/to/some/file" } } } ~~~ * This will add an Avogadro::QtGui::FileBrowseWidget to the GUI, initialized to * the file pointed to by default. * * Clamped Integer Values * ---------------------- * * Scripts may request integer values from a specified range by adding a * user-option of the following form: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "integer", "minimum": -5, "maximum": 5, "default": 0, "prefix": "some text ", "suffix": " units" } } } ~~~ * This block will result in a QSpinBox, configured as follows: * - `minimum` and `maximum` indicate the valid range of integers for the * parameter. * - `default` is the integer value that will be shown initially. * - (optional) `prefix` and `suffix` are used to insert text before or * after the integer value in the spin box. * This is handy for specifying units. * Note that any prefix or suffix will be stripped out of the corresponding * entry in the call to `--generate-input`, and just the raw integer value * will be sent. * * Boolean Parameters * ------------------ * * If a simple on/off value is needed, a boolean type option can be requested: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "boolean", "default": true, } } } ~~~ * This will result in a QCheckBox in the dynamically generated GUI, with * the initial check state shown in `default`. * * Special Parameters * ------------------ * * Some parameters are common to most calculation codes. * If the following parameter names are found, they will be handled specially * while creating the GUI. * It is recommended to use the names below for these options to provide a * consistent interface and ensure that MoleQueue job staging uses correct * values where appropriate. * * | Option name | type | description | * | :----------------: | :--------: | :------------------------------------------------------------------ | * | "Title" | string | Input file title comment, MoleQueue job description. | * | "Filename Base" | string | Input file base name, e.g. "job" in "job.inp". | * | "Processor Cores" | integer | Number of cores to use. Will be passed to MoleQueue. | * | "Calculation Type" | stringList | Type of calculation, e.g. "Single Point" or "Equilibrium Geometry". | * | "Theory" | stringList | Levels of QM theory, e.g. "RHF", "B3LYP", "MP2", "CCSD", etc. | * | "Basis" | stringList | Available basis sets, e.g. "STO-3G", "6-31G**", etc. | * | "Charge" | integer | Charge on the system. | * | "Multiplicity" | integer | Spin multiplicity of the system. | * * Syntax Highlighting * ------------------- * * Rules for syntax highlighting can be specified as a collection of regular * expressions or wildcard patterns and text format specifications in the * "highlightRules" array. The `highlightRules` format is: ~~~{.js} "highlightStyles": [ { "style": "Style 1", "rules": [ (list of highlight rules, see below) ], }, { "style": "Style 2", "rules": [ (list of highlight rules, see below) ], }, ... ], ~~~ * The `style` name is unique to the style object, and used to associate a * set of highlighting rules with particular output files. See the * `--generate-input` documentation for more details. * * The general form of a highlight rule is: ~~~{.js} { "patterns": [ { "regexp": "^Some regexp?$" }, { "wildcard": "A * wildcard expression" }, { "string": "An exact string to match.", "caseSensitive": false }, ... ], "format": { "preset": "" } } ~~~ * * or, * ~~~{.js} { "patterns": [ ... ], "format": { "foreground": [ 255, 128, 64 ], "background": [ 0, 128, 128 ], "attributes": ["bold", "italic", "underline"], "family": "serif" } } ~~~ * * The `patterns` array contains a collection of fixed strings, wildcard * expressions, and regular expressions (using the QRegularExpression syntax * flavor, see the QRegularExpression documentation) that are used to identify * strings that should be formatted. * There must be one of the following members present in each pattern object: * - `regexp` A QRegularExpression-style regular expression. If no capture * groups ("(...)") are defined, the entire match is formatted. If one or more * capture groups, only the captured texts will be marked. * - `wildcard` A wildcard expression * - `string` An exact string to match. * * Any pattern object may also set a boolean `caseSensitive` member to indicate * whether the match should consider character case. If omitted, a * case-sensitive match is assumed. * * The preferred form of the `format` member is simply a specification of a * preset format. * This allows for consistent color schemes across input generators. * The recognized presets are: * - `"title"`: A human readable title string. * - `"keyword"`: directives defined by the target input format specification * to have special meaning, such as tags indicating where coordinates are * to be found. * - `"property"`: A property of the simulation, such as level of theory, basis * set, minimization method, etc. * - `"literal"`: A numeric literal (i.e. a raw number, such as a coordinate). * - `"comment"`: Sections of the input that are ignored by the simulation code. * * If advanced formatting is desired, the second form of the `format` member * allows fine-tuning of the font properties: * - `foreground` color as an RGB tuple, ranged 0-255 * - `background` color as an RGB tuple, ranged 0-255 * - `attributes` array of font attributes, valid strings are `"bold"`, * `"italic"`, or `"underline"` * - `family` of font. Valid values are `"serif"`, `"sans"`, or `"mono"` * * Any of the font property members may be omitted and default QTextCharFormat * settings will be substituted. * * The input generator extension will apply the entries in the `highlightRules` * object to the text in the order they appear. Thus, later rules will * override the formatting of earlier rules should a conflict arise. * * Requesting Full Structure of Current Molecule * --------------------------------------------- * * The `inputMoleculeFormat` is optional, and can be used to request a * representation of the current molecule's geometry when * `--generate-input` is called. The corresponding value * indicates the format of the molecule that the script expects. If this value * is omitted, no representation of the structure will be provided. * * @note Currently valid options for inputMoleculeFormat are "cjson" for * Chemical JSON or "cml" for Chemical Markup Language. * * Handling User Selections: `--generate-input` * ============================================ * * When `--generate-input` is passed, the information needed to generate * the input file will be written to the script's standard input * channel as JSON string of the following form: ~~~{.js} { "cjson": {...}, "options": { "First option name": "Value 2", "Second option name": "Value 1", ... } } ~~~ * The `cjson` entry will contain a Chemical JSON representation * of the molecule if `inputMoleculeFormat` is set to "cjson" in the * `--print-options` output. * Similarly, a `cml` entry and CML string will exist if a Chemical Markup * Language representation was requested. * It will be omitted entirely if `inputMoleculeFormat` is not set. * The `options` block contains key/value * pairs for each of the options specified in the `userOptions` block of the * `--print-options` output. * * If the script is called with `--generate-input`, it must write a JSON * string to standard output with the following format: ~~~{.js} { "files": [ { "filename": "file1.ext", "contents": "...", "highlightStyles": [ ... ] }, { "filename": "file2.ext", "filePath": "/path/to/file/on/local/filesystem" }, ... ], "warnings": ["First warning.", "Second warning.", ... ], "mainFile": "file2.ext" } ~~~ * The `files` block is an array of objects, which define the actual input * files. The `filename` member provides the name of the file, and * either `contents` or `filePath` provide the text that goes into the file. * The `contents` string will be used as the file contents, and `filePath` * should contain an absolute path to a file on the filesystem to read and use * as the input file contents. * The optional `highlightStyles` member is an array of strings describing any * highlight styles to apply to the file (see `--print-options` documentation). * Each string in this array must match a `style` description in a highlighting * rule in the `--print-options` output. * Zero or more highlighting styles may be applied to any file. * The order of the files in the * GUI will match the order of the files in the array, and the first file will * be displayed first. * * The `warnings` member provides an array of strings that describe non-fatal * warnings to be shown to the users. This is useful for describing * the resolution of conflicting options, e.g. "Ignoring basis set for * semi-empirical calculation.". This member is optional and should be omitted * if no warnings are present. * * The `mainFile` member points to the primary input file for a calculation. * This is the file that will be used as a command line argument when executing * the simulation code (if applicable), and used by MoleQueue to set the * `$$inputFileName$$` and `$$inputFileBaseName$$` input template keywords. * This is optional; if present, the filename must exist in the `files` array. * If absent and only one file is specified in `files`, the single input file * will be used. Otherwise, the main file will be left unspecified. * * Automatic Generation of Geometry * ================================ * * The generation of molecular geometry descriptions may be skipped in the * script and deferred to the InterfaceScript class by use of a special keyword. * The "contents" string may contain a keyword of the form ~~~ $$coords:[coordSpec]$$ ~~~ * where `[coordSpec]` is a sequence of characters. * The characters in `[coordSpec]` indicate the information needed about each * atom in the coordinate block. * See the CoordinateBlockGenerator documentation for a list of recognized * characters. * * Other keywords that can be used in the input files are: * - `$$atomCount$$`: Number of atoms in the molecule. * - `$$bondCount$$`: Number of bonds in the molecule. * * Error Handling * ============== * * In general, these scripts should be written robustly so that they will not * fail under normal circumstances. However, if for some reason an error * occurs that must be reported to the user, simply write the error message to * standard output as plain text (i.e. not JSON), and it will be shown to the * user. * * Debugging * ========= * * Debugging may be enabled by defining AVO_QM_INPUT_DEBUG in the process's * environment. This will cause the --debug option to be passed in * all calls to generator scripts, and will print extra information to the * qDebug() stream from within avogadro. The script is free to handle the * debug flag as the author wishes. */ class AVOGADROQTGUI_EXPORT InterfaceScript : public QObject { Q_OBJECT public: /** * Constructor * @param scriptFilePath_ Absolute path to generator script. */ explicit InterfaceScript(const QString& scriptFilePath_, QObject* parent_ = nullptr); explicit InterfaceScript(QObject* parent_ = nullptr); ~InterfaceScript() override; /** * @return True if debugging is enabled. */ bool debug() const; /** * @return True if the generator is configured with a valid script. */ bool isValid() const; /** * Query the script for the available options (--generate-options) * and return the output as a JSON object. * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QJsonObject options() const; /** * Return a user-friendly name for the script. * @note In package mode this is taken from package metadata. For legacy * script mode, the value is queried from --display-name. * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QString displayName() const; /** * Query the script for the menu path (--menu-path). * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QString menuPath() const; /** * @return The path to the generator file. */ QString scriptFilePath() const; /** * Set the path to the input generator script file. This will reset any * cached data held by this class. */ void setScriptFilePath(const QString& scriptFile); /** * Access to the underlying PythonScript interpreter for direct * configuration (e.g. setting package mode via setPackageInfo()). * @{ */ PythonScript& interpreter() { return *m_interpreter; } const PythonScript& interpreter() const { return *m_interpreter; } /** @} */ /** * Clear any cached data and return to an uninitialized state. */ void reset(); /** * Set the user options directly from a JSON object, bypassing the * --print-options script call. Use this for package-based plugins whose * options are stored in a file referenced by the pyproject.toml metadata. * Insert "inputMoleculeFormat" into @p opts before calling if you need a * specific molecule format (mirrors the InputGenerator::setOptions() * pattern). After calling this, reloadOptions() on the widget will use the * cached options without invoking the script. */ void setOptionsJson(const QJsonObject& opts); /** * Asynchronously run a command script using the supplied options object and * molecule. See the class documentation for details on the @p options_ * object format. * * @return true on success and false on failure. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ bool runCommand(const QJsonObject& options_, Core::Molecule* mol); /** * Finish processing an aynchronous command script */ bool processCommand(Core::Molecule* mol); /** * Request input files from the script using the supplied options object and * molecule. See the class documentation for details on the @p options_ * object format. * * If the files are generated successfully, use the functions * numberOfInputFiles(), fileNames(), and fileContents() to retrieve them. * * @return true on success and false on failure. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ bool generateInput(const QJsonObject& options_, const Core::Molecule& mol); /** * @return The number of input files stored by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ int numberOfInputFiles() const; /** * @return A list of filenames created by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ QStringList fileNames() const; /** * @return The "main" input file of the collection. This is the input file * used by MoleQueue to determine the $$inputFileName$$ and * $$inputFileBaseName$$ keywords. * @note This function is only valid after a successful call to * generateInput(). */ QString mainFileName() const; /** * @return A file contents corresponding to @p fileName. Must call * generateInput() first. * @sa fileNames */ QString fileContents(const QString& fileName) const; /** * @return A syntax highlighter for the file @a fileName. Must call * generateInput() first. The caller takes ownership of the returned object. * If no syntax highlighter is defined, this function returns nullptr. * @sa fileNames */ QtGui::GenericHighlighter* createFileHighlighter( const QString& fileName) const; /** * @return True if an error is set. */ bool hasErrors() const { return !m_errors.isEmpty(); } /** * Reset the error counter. */ void clearErrors() { m_errors.clear(); } /** * @return A QStringList containing all errors that occurred in the last call * to the input generator script. */ QStringList errorList() const { return m_errors; } /** * @return A QStringList containing all warnings returned by the input * generator script in the last call to generateInput. These are * script-specific warnings. */ QStringList warningList() const { return m_warnings; } signals: void finished(); public slots: /** * Enable/disable debugging. */ void setDebug(bool d); /** * Receives a signal when asynchronous command scripts are finished */ void commandFinished(); protected: bool parseJson(const QByteArray& json, QJsonDocument& doc) const; QString generateCoordinateBlock(const QString& spec, const Core::Molecule& mol) const; void replaceKeywords(QString& str, const Core::Molecule& mol) const; bool parseHighlightStyles(const QJsonArray& json) const; bool parseRules(const QJsonArray& json, QtGui::GenericHighlighter& highligher) const; bool parseFormat(const QJsonObject& json, QTextCharFormat& format) const; bool parsePattern(const QJsonValue& json, QRegularExpression& pattern) const; private: QtGui::PythonScript* m_interpreter; void setDefaultPythonInterpreter(); QByteArray execute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()) const; QString processErrorString(const QProcess& proc) const; bool insertMolecule(QJsonObject& json, const Core::Molecule& mol) const; // File extension of requested molecule format mutable QString m_moleculeExtension; mutable QString m_displayName; mutable QString m_menuPath; mutable QJsonObject m_options; mutable QStringList m_warnings; mutable QStringList m_errors; QStringList m_filenames; QString m_mainFileName; QMap m_files; QMap m_fileHighlighters; mutable QMap m_highlightStyles; }; inline bool InterfaceScript::isValid() const { displayName(); return !hasErrors(); } } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INTERFACESCRIPT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/interfacewidget.cpp000066400000000000000000000054561516317240700263070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "interfacewidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { InterfaceWidget::InterfaceWidget(const QString& scriptFilePath, QWidget* parent_) : JsonWidget(parent_), m_interfaceScript(QString()) { if (!scriptFilePath.isEmpty()) this->setInterfaceScript(scriptFilePath); } InterfaceWidget::~InterfaceWidget() {} void InterfaceWidget::setInterfaceScript(const QString& scriptFile) { m_interfaceScript.setScriptFilePath(scriptFile); m_options = m_interfaceScript.options(); updateOptions(); } void InterfaceWidget::reloadOptions() { m_options = m_interfaceScript.options(); updateOptions(); } void InterfaceWidget::defaultsClicked() { setOptionDefaults(); } void InterfaceWidget::setWarningText(const QString& warn) { qWarning() << tr("Script returns warnings:\n") << warn; } QString InterfaceWidget::warningText() const { return QString(); } void InterfaceWidget::showError(const QString& err) { qWarning() << err; QWidget* theParent = this->isVisible() ? this : qobject_cast(parent()); QDialog dlg(theParent); auto* vbox = new QVBoxLayout(); auto* label = new QLabel(tr("An error has occurred:")); vbox->addWidget(label); auto* textBrowser = new QTextBrowser(); // adjust the size of the text browser to ~80 char wide, ~20 lines high QSize theSize = textBrowser->sizeHint(); QFontMetrics metrics(textBrowser->currentFont()); int charWidth = metrics.horizontalAdvance(QStringLiteral("i7OPlmWn9/")) / 10; int charHeight = metrics.lineSpacing(); theSize.setWidth(80 * charWidth); theSize.setHeight(20 * charHeight); textBrowser->setMinimumSize(theSize); textBrowser->setText(err); vbox->addWidget(textBrowser); dlg.setLayout(vbox); dlg.exec(); } QString InterfaceWidget::settingsKey(const QString& identifier) const { return QStringLiteral("scriptPlugin/%1/%2") .arg(m_interfaceScript.displayName(), identifier); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/interfacewidget.h000066400000000000000000000063331516317240700257470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_INTERFACEWIDGET_H #define AVOGADRO_QTGUI_INTERFACEWIDGET_H #include "avogadroqtguiexport.h" #include #include #include #include "interfacescript.h" #include "jsonwidget.h" class QJsonValue; class QTextEdit; class QWidget; namespace Avogadro { namespace QtGui { class Molecule; /** * @class InterfaceWidget interfacewidget.h * * @brief The InterfaceWidget class provides a user interface for * running external scripts * @sa InterfaceScript * * The InterfaceWidget creates a GUI to represent the options given by an * script, turning JSON from the script into a form and passing the results * back to the script via command-line */ class AVOGADROQTGUI_EXPORT InterfaceWidget : public JsonWidget { Q_OBJECT public: /** * Construct a widget that dynamically generates a GUI to configure the * script specified by scriptFilePath. Pass an empty string to create * without loading a script (configure via interfaceScript() then call * reloadOptions()). */ explicit InterfaceWidget(const QString& scriptFilePath, QWidget* parent_ = nullptr); ~InterfaceWidget() override; /** * Use the script pointed to by scriptFilePath. * @param scriptFilePath Absolute path to script. */ void setInterfaceScript(const QString& scriptFilePath); /** * Re-fetch options from the underlying script and rebuild the GUI. * Call this after configuring the interpreter (e.g. for package mode). */ void reloadOptions(); /** * Access to the underlying input script object. @{ */ QtGui::InterfaceScript& interfaceScript() { return m_interfaceScript; } const QtGui::InterfaceScript& interfaceScript() const { return m_interfaceScript; } /** @} */ private slots: /** * Triggered when the user resets the default values. */ void defaultsClicked(); /** * Show the user an warning. These are messages returned by the input * script. */ void setWarningText(const QString& warn); /** * Show the warning text. */ QString warningText() const; /** * Show the user an error message. These are errors that have occurred * in this extension, not necessarily in the input generator script. */ void showError(const QString& err); private: /** * Generate a QSettings key with the given identifier that is unique to this * input generator's display name. * @param identifier Setting key, e.g. "outputPath" * @return Script-specific key, e.g. "quantumInput/GAMESS/outputPath" * @todo Display names are not necessarily unique, but paths are too long. * Maybe add a namespace qualifier to the script display names? */ QString settingsKey(const QString& identifier) const; QtGui::Molecule* m_molecule; QtGui::InterfaceScript m_interfaceScript; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_INTERFACEWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/jsonwidget.cpp000066400000000000000000000747111516317240700253200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "jsonwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using namespace Qt::StringLiterals; namespace Avogadro::QtGui { JsonWidget::JsonWidget(QWidget* parent_) : QWidget(parent_), m_molecule(nullptr), m_empty(true), m_batchMode(false), m_currentLayout(nullptr), m_centralWidget(nullptr) { } JsonWidget::~JsonWidget() {} void JsonWidget::setMolecule(QtGui::Molecule* mol) { if (m_molecule != nullptr) { // update charge and multiplicity only if those options exist // (command scripts don't have them, unlike input generators) auto hasUserOption = [&](const QString& key) -> bool { if (!m_options.contains(u"userOptions"_s)) return false; return m_options[u"userOptions"_s].toObject().contains(key); }; int charge = static_cast(m_molecule->totalCharge()); int multiplicity = static_cast(m_molecule->totalSpinMultiplicity()); if (hasUserOption(u"Charge"_s)) setOption(u"Charge"_s, charge); if (hasUserOption(u"Multiplicity"_s)) setOption(u"Multiplicity"_s, multiplicity); // check the molecule for "inputParameters" from CJSON // e.g. // https://github.com/OpenChemistry/chemicaljson/blob/main/chemicaljson.py#L130 if (m_molecule->hasData("inputParameters")) { QByteArray inputData( m_molecule->data("inputParameters").toString().c_str()); QJsonDocument doc = QJsonDocument::fromJson(inputData); if (!doc.isNull() && doc.isObject()) { QJsonObject inputParameters = doc.object(); // check for a few known keys if (inputParameters.contains(u"processors"_s)) setOption(u"Processor Cores"_s, inputParameters[u"processors"_s].toInt()); else if (inputParameters.contains(u"memory"_s)) setOption(u"Memory"_s, inputParameters[u"memory"_s].toInt()); else if (inputParameters.contains(u"basis"_s)) setOption(u"Basis"_s, inputParameters[u"basis"_s].toString()); else if (inputParameters.contains(u"functional"_s)) setOption(u"Theory"_s, inputParameters[u"functional"_s].toString()); else if (inputParameters.contains(u"task"_s)) setOption(u"Calculation Type"_s, inputParameters[u"task"_s].toString()); } } } if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; } QString JsonWidget::lookupOptionType(const QString& name) const { if (!m_options.contains(u"userOptions"_s)) { qWarning() << tr("'userOptions' missing."); return QString(); } QJsonObject userOptions = m_options[u"userOptions"_s].toObject(); if (!userOptions.contains(name)) { qWarning() << tr("Could not find option '%1'.").arg(name); return QString(); } QJsonObject obj = userOptions[name].toObject(); if (!obj.contains(u"type"_s) || !obj[u"type"_s].isString()) { qWarning() << tr("'type' is not a string for option '%1'.").arg(name); return QString(); } return obj[u"type"_s].toString(); } void JsonWidget::updateOptions() { // Create the widgets, etc for the gui if (!m_centralWidget) { m_centralWidget = this; } buildOptionGui(); setOptionDefaults(); } void JsonWidget::buildOptionGui() { if (m_centralWidget == nullptr) return; m_widgets.clear(); delete m_centralWidget->layout(); if (!m_options.contains(u"userOptions"_s)) { return; } // Always expect an object now, should never be an array if (m_options[u"userOptions"_s].isArray()) { return; } QJsonObject userOptions = m_options[u"userOptions"_s].toObject(); // If a tabbed interface is specified, we'll create tabs for it QTabWidget* tabsWidget = nullptr; QWidget* currentPage = nullptr; // First work out whether a tabbed interface is specified bool isTabbed; if (userOptions.contains(u"tabs"_s)) { isTabbed = true; } else { // Interface doesn't have tabs at all isTabbed = false; } m_isTabbed = isTabbed; QJsonArray tabs; QMap sortedOptions; // We need to store the tab names in order of position if (isTabbed) { tabs = userOptions.take(u"tabs"_s).toArray(); // Sort the options by tab for (auto it = tabs.constBegin(); it != tabs.constEnd(); ++it) { QString tabName = it->toString(); sortedOptions.insert(tabName, QJsonObject()); } // Iterate over all options for (auto it = userOptions.constBegin(); it != userOptions.constEnd(); ++it) { if (!it.value().isObject()) continue; QJsonObject obj = it.value().toObject(); QString tab = obj[u"tab"_s].toString(); if (sortedOptions.contains(tab)) { QJsonObject& tabObj = sortedOptions[tab]; tabObj.insert(it.key(), it.value()); } } } // Lambda to add a set of options to the current layout auto addOptions = [this](QJsonObject options) { // Title first if (options.contains(u"Title"_s)) addOptionRow(u"Title"_s, tr("Title"), options.take(u"Title"_s)); // File basename next: if (options.contains(u"Filename Base"_s)) addOptionRow(u"Filename Base"_s, tr("Filename Base"), options.take(u"Filename Base"_s)); // Number of cores and memory next: if (options.contains(u"Processor Cores"_s) && options.contains(u"Memory"_s)) { combinedOptionRow(u"Processor Cores"_s, u"Memory"_s, tr("Processor Cores"), tr("Memory"), options, true); // both labels } else { // do them separately if (options.contains(u"Processor Cores"_s)) addOptionRow(u"Processor Cores"_s, tr("Processor Cores"), options.take(u"Processor Cores"_s)); if (options.contains(u"Memory"_s)) addOptionRow(u"Memory"_s, tr("Memory"), options.take(u"Memory"_s)); } // Calculation Type next: if (options.contains(u"Calculation Type"_s)) addOptionRow(u"Calculation Type"_s, tr("Calculation Type"), options.take(u"Calculation Type"_s)); // Theory/basis next. Combine into one row if both present. combinedOptionRow(u"Theory"_s, u"Basis"_s, tr("Theory"), tr("Basis"), options); // Other special cases: Charge / Multiplicity if (options.contains(u"Charge"_s) && options.contains(u"Multiplicity"_s)) combinedOptionRow(u"Charge"_s, u"Multiplicity"_s, tr("Charge"), tr("Multiplicity"), options, true); // both labels else { if (options.contains(u"Charge"_s)) addOptionRow(u"Charge"_s, tr("Charge"), options.take(u"Charge"_s)); if (options.contains(u"Multiplicity"_s)) addOptionRow(u"Multiplicity"_s, tr("Multiplicity"), options.take(u"Multiplicity"_s)); } // Solvation / model if (options.contains(u"Solvent"_s) && options.contains(u"Solvation Model"_s)) { combinedOptionRow(u"Solvent"_s, u"Solvation Model"_s, tr("Solvent"), tr("Model", "solvation method / model"), options, true); // both labels } // Add remaining keys at bottom. // Look for "order" key to determine order QMap keys; int order = 0; for (QJsonObject::const_iterator it = options.constBegin(), itEnd = options.constEnd(); it != itEnd; ++it) { if (it.value().isObject()) { QJsonObject obj = it.value().toObject(); if (obj.contains(u"order"_s) && obj[u"order"_s].isDouble()) { order = obj[u"order"_s].toInt(); keys.insert(order, it.key()); } else { // object doesn't contain "order" keys.insert(order, it.key()); order++; } } else { keys.insert(order++, it.key()); } } // Now loop over keys and add them for (QString key : std::as_const(keys)) addOptionRow(key, key, options.take(key)); // Make connections for standard options: if (auto* combo = qobject_cast( m_widgets.value(u"Calculation Type"_s, nullptr))) { connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updateTitlePlaceholder())); } if (auto* combo = qobject_cast(m_widgets.value(u"Theory"_s, nullptr))) { connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updateTitlePlaceholder())); } if (auto* combo = qobject_cast(m_widgets.value(u"Basis"_s, nullptr))) { connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updateTitlePlaceholder())); } }; // Create new widgets using the lambda if (isTabbed) { // Create a layout for inserting the tabs tabsWidget = new QTabWidget(this); auto* layout = new QVBoxLayout; layout->addWidget(tabsWidget); m_centralWidget->setLayout(layout); // Loop over the tabs, which are the top-level key/value pairs for (auto it = tabs.constBegin(); it != tabs.constEnd(); ++it) { QString tabName = it->toString(); QJsonObject tabOptions = sortedOptions.value(tabName); // Add the new tab currentPage = new QWidget(this); auto* tabLayout = new QFormLayout(currentPage); currentPage->setLayout(tabLayout); // Make the created tab the current layout so that the lambda adds the // tab's options to it m_currentLayout = tabLayout; addOptions(tabOptions); tabsWidget->addTab(currentPage, tabName); } // End loop over tabs } else { // Create the form layout for the widgets auto* layout = new QFormLayout; m_currentLayout = layout; m_centralWidget->setLayout(layout); // Options are just the top level addOptions(userOptions); } m_empty = m_widgets.isEmpty(); } void JsonWidget::combinedOptionRow(const QString& label1, const QString& label2, const QString& tr1, const QString& tr2, QJsonObject& options, bool bothLabels) { if (m_currentLayout == nullptr) return; bool option1 = options.contains(label1); bool option2 = options.contains(label2); if (option1 && option2) { QWidget* widget1 = createOptionWidget(options.take(label1)); QWidget* widget2 = createOptionWidget(options.take(label2)); auto* hbox = new QHBoxLayout; if (option1) { widget1->setObjectName(label1); hbox->addWidget(widget1); m_widgets.insert(label1, widget1); } if (bothLabels) { QLabel* label = new QLabel(tr2 + ":"); hbox->addWidget(label); } if (option2) { widget2->setObjectName(label2); hbox->addWidget(widget2); m_widgets.insert(label2, widget2); } hbox->addStretch(); m_currentLayout->addRow(tr1, hbox); } else { if (option1) addOptionRow(label1, tr1, options.take(label1)); if (option2) addOptionRow(label2, tr2, options.take(label2)); } } void JsonWidget::addOptionRow(const QString& key, const QString& name, const QJsonValue& option) { QWidget* widget = createOptionWidget(option); if (!widget) return; QFormLayout* form = m_currentLayout; if (!form) { qWarning() << "Cannot add option" << name << "to GUI -- layout is not a form."; widget->deleteLater(); return; } // For lookups during unit testing: widget->setObjectName(key); QString label(name); QJsonObject obj = option.toObject(); if (obj.contains(u"label"_s) && obj[u"label"_s].isString()) { label = obj[u"label"_s].toString(); } // also check for "User Name" or "Password" for translation // with case-insensitive comparison if (label.toLower() == u"user name"_s || label.toLower() == u"username"_s) label = tr("User Name"); else if (label.toLower() == u"password"_s) { label = tr("Password"); // make sure the widget has the right echo if (auto* lineEdit = qobject_cast(widget)) { lineEdit->setEchoMode(QLineEdit::PasswordEchoOnEdit); } } form->addRow(label + ":", widget); m_widgets.insert(key, widget); // optionally hide rows .. can be shown by the script later bool hide = false; if (obj.contains(u"hide"_s) && obj[u"hide"_s].isBool()) { hide = obj[u"hide"_s].toBool(); } if (hide) { widget->hide(); // find the label and hide that too auto fLabel = form->labelForField(widget); if (fLabel) fLabel->hide(); } } QWidget* JsonWidget::createOptionWidget(const QJsonValue& option) { if (!option.isObject()) return nullptr; QJsonObject obj = option.toObject(); if (!obj.contains(u"type"_s) || !obj[u"type"_s].isString()) return nullptr; QString type = obj[u"type"_s].toString(); if (type == u"stringList"_s) return createStringListWidget(obj); else if (type == u"string"_s) return createStringWidget(obj); else if (type == u"filePath"_s) return createFilePathWidget(obj); else if (type == u"integer"_s) return createIntegerWidget(obj); else if (type == u"float"_s) return createFloatWidget(obj); else if (type == u"boolean"_s) return createBooleanWidget(obj); else if (type == u"text"_s) return createTextWidget(obj); else if (type == u"table"_s) return createTableWidget(obj); qDebug() << "Unrecognized option type:" << type; return nullptr; } QWidget* JsonWidget::createStringListWidget(const QJsonObject& obj) { if (!obj.contains(u"values"_s) || !obj[u"values"_s].isArray()) { qDebug() << "JsonWidget::createStringListWidget()" "values missing, or not array!"; return nullptr; } QJsonArray valueArray = obj[u"values"_s].toArray(); auto* combo = new QComboBox(this); for (QJsonArray::const_iterator vit = valueArray.constBegin(), vitEnd = valueArray.constEnd(); vit != vitEnd; ++vit) { if ((*vit).isString()) { QString value = (*vit).toString(); if (value == '-') combo->insertSeparator(combo->count()); else combo->addItem((*vit).toString()); } else qDebug() << "Cannot convert value to string for stringList:" << *vit; } connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updatePreviewText())); if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { combo->setToolTip(obj[u"toolTip"_s].toString()); } return combo; } QWidget* JsonWidget::createStringWidget(const QJsonObject& obj) { auto* edit = new QLineEdit(this); connect(edit, SIGNAL(textChanged(QString)), SLOT(updatePreviewText())); if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { edit->setToolTip(obj[u"toolTip"_s].toString()); } if (obj.contains(u"placeholderText"_s) && obj[u"placeholderText"_s].isString()) { edit->setPlaceholderText(obj[u"placeholderText"_s].toString()); } // don't echo password fields if (obj.contains(u"password"_s) && obj[u"password"_s].isBool() && obj[u"password"_s].toBool()) { edit->setEchoMode(QLineEdit::PasswordEchoOnEdit); } return edit; } QWidget* JsonWidget::createTextWidget(const QJsonObject& obj) { auto* text = new QLabel(this); text->setWordWrap(true); if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { text->setToolTip(obj[u"toolTip"_s].toString()); } return text; } QWidget* JsonWidget::createFilePathWidget(const QJsonObject& obj) { auto* fileBrowse = new QtGui::FileBrowseWidget(this); connect(fileBrowse, SIGNAL(fileNameChanged(QString)), SLOT(updatePreviewText())); if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { fileBrowse->setToolTip(obj[u"toolTip"_s].toString()); } return fileBrowse; } QWidget* JsonWidget::createIntegerWidget(const QJsonObject& obj) { auto* spin = new QSpinBox(this); if (obj.contains(u"minimum"_s) && obj[u"minimum"_s].isDouble()) { spin->setMinimum(static_cast(obj[u"minimum"_s].toDouble())); } if (obj.contains(u"maximum"_s) && obj[u"maximum"_s].isDouble()) { spin->setMaximum(static_cast(obj[u"maximum"_s].toDouble())); } if (obj.contains(u"prefix"_s) && obj[u"prefix"_s].isString()) { spin->setPrefix(obj[u"prefix"_s].toString()); } if (obj.contains(u"suffix"_s) && obj[u"suffix"_s].isString()) { spin->setSuffix(obj[u"suffix"_s].toString()); } if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { spin->setToolTip(obj[u"toolTip"_s].toString()); } connect(spin, SIGNAL(valueChanged(int)), SLOT(updatePreviewText())); return spin; } QWidget* JsonWidget::createFloatWidget(const QJsonObject& obj) { auto* spin = new QDoubleSpinBox(this); if (obj.contains(u"minimum"_s) && obj[u"minimum"_s].isDouble()) { spin->setMinimum(obj[u"minimum"_s].toDouble()); } if (obj.contains(u"maximum"_s) && obj[u"maximum"_s].isDouble()) { spin->setMaximum(obj[u"maximum"_s].toDouble()); } if (obj.contains(u"precision"_s) && obj[u"precision"_s].isDouble()) { spin->setDecimals(static_cast(obj[u"precision"_s].toDouble())); } if (obj.contains(u"prefix"_s) && obj[u"prefix"_s].isString()) { spin->setPrefix(obj[u"prefix"_s].toString()); } if (obj.contains(u"suffix"_s) && obj[u"suffix"_s].isString()) { spin->setSuffix(obj[u"suffix"_s].toString()); } if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { spin->setToolTip(obj[u"toolTip"_s].toString()); } connect(spin, SIGNAL(valueChanged(double)), SLOT(updatePreviewText())); return spin; } QWidget* JsonWidget::createBooleanWidget(const QJsonObject& obj) { auto* checkBox = new QCheckBox(this); connect(checkBox, SIGNAL(toggled(bool)), SLOT(updatePreviewText())); if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { checkBox->setToolTip(obj[u"toolTip"_s].toString()); } return checkBox; } QWidget* JsonWidget::createTableWidget(const QJsonObject& obj) { auto* tableWidget = new QTableWidget(this); connect(tableWidget, SIGNAL(cellChanged(int, int)), SLOT(updatePreviewText())); if (obj.contains(u"toolTip"_s) && obj[u"toolTip"_s].isString()) { tableWidget->setToolTip(obj[u"toolTip"_s].toString()); } if (obj.contains(u"headers"_s) && obj[u"headers"_s].isArray()) { QJsonArray headers = obj[u"headers"_s].toArray(); tableWidget->setColumnCount(headers.size()); for (int i = 0; i < headers.size(); ++i) { tableWidget->setHorizontalHeaderItem( i, new QTableWidgetItem(headers[i].toString())); } } if (obj.contains(u"delimiter"_s) && obj[u"delimiter"_s].isString()) { tableWidget->setProperty("delimiter", obj[u"delimiter"_s].toString()); } // data might be supplied as columns or rows if (obj.contains(u"columns"_s) && obj[u"columns"_s].isArray()) { QJsonArray columns = obj[u"columns"_s].toArray(); // get the row count from the first column tableWidget->setRowCount(columns[0].toArray().size()); for (int i = 0; i < columns.size(); ++i) { int j = 0; for (QJsonArray::const_iterator it = columns[i].toArray().constBegin(), itEnd = columns[i].toArray().constEnd(); it != itEnd; ++it) { tableWidget->setItem(i, j++, new QTableWidgetItem(it->toString())); } } } if (obj.contains(u"rows"_s) && obj[u"rows"_s].isArray()) { QJsonArray rows = obj[u"rows"_s].toArray(); // get the column count from the first row tableWidget->setColumnCount(rows[0].toArray().size()); for (int j = 0; j < rows.size(); ++j) { int i = 0; for (QJsonArray::const_iterator it = rows[i].toArray().constBegin(), itEnd = rows[i].toArray().constEnd(); it != itEnd; ++it) { tableWidget->setItem(i++, j, new QTableWidgetItem(it->toString())); } } } return tableWidget; } void JsonWidget::setOptionDefaults() { if (!m_options.contains(u"userOptions"_s)) { return; } QJsonObject userOptions = m_options[u"userOptions"_s].toObject(); // Remove those keys that aren't for options userOptions.take(u"tabs"_s); // Loop over all options for (auto it = userOptions.constBegin(); it != userOptions.constEnd(); ++it) { QString label = it.key(); QJsonObject obj = it.value().toObject(); if (obj.contains(u"default"_s)) { // TODO - check QSettings for a value too setOption(label, obj[u"default"_s]); } } } void JsonWidget::setOption(const QString& name, const QJsonValue& defaultValue) { QString type = lookupOptionType(name); if (type == u"stringList"_s) return setStringListOption(name, defaultValue); else if (type == u"string"_s) return setStringOption(name, defaultValue); else if (type == u"filePath"_s) return setFilePathOption(name, defaultValue); else if (type == u"integer"_s) return setIntegerOption(name, defaultValue); else if (type == u"float"_s) return setFloatOption(name, defaultValue); else if (type == u"boolean"_s) return setBooleanOption(name, defaultValue); else if (type == u"text"_s) return setTextOption(name, defaultValue); else if (type == u"table"_s) return setTableOption(name, defaultValue); qWarning() << tr("Unrecognized option type '%1' for option '%2'.").arg(type).arg(name); return; } void JsonWidget::setStringListOption(const QString& name, const QJsonValue& value) { auto* combo = qobject_cast(m_widgets.value(name, nullptr)); if (!combo) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isDouble() && !value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } int index = -1; if (value.isDouble()) index = static_cast(value.toDouble() + 0.5); else if (value.isString()) index = combo->findText(value.toString()); if (index < 0 || index > combo->count()) { qWarning() << tr("Error setting default for option '%1'. " "Could not find valid combo entry index from value:") .arg(name) << value; return; } combo->setCurrentIndex(index); } void JsonWidget::setStringOption(const QString& name, const QJsonValue& value) { auto* lineEdit = qobject_cast(m_widgets.value(name, nullptr)); if (!lineEdit) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } lineEdit->setText(value.toString()); } void JsonWidget::setTextOption(const QString& name, const QJsonValue& value) { auto* text = qobject_cast(m_widgets.value(name, nullptr)); if (text == nullptr) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } text->setText(value.toString()); } void JsonWidget::setTableOption(const QString& name, const QJsonValue& value) { auto* table = qobject_cast(m_widgets.value(name, nullptr)); if (table == nullptr) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } // parse the table (default delimiter is tab) QString delimiter; if (table->property("delimiter").isValid()) delimiter = table->property("delimiter").toString(); else delimiter = "\t"; // parse the table table->clearContents(); QStringList tableLines = value.toString().split("\n"); table->setRowCount(tableLines.size()); for (int i = 0; i < tableLines.size(); ++i) { QStringList entry = tableLines[i].split(delimiter); for (int j = 0; j < entry.size(); ++j) { table->setItem(i, j, new QTableWidgetItem(entry[j])); } } } void JsonWidget::setFilePathOption(const QString& name, const QJsonValue& value) { auto* fileBrowse = qobject_cast(m_widgets.value(name, nullptr)); if (!fileBrowse) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } fileBrowse->setFileName(value.toString()); } void JsonWidget::setIntegerOption(const QString& name, const QJsonValue& value) { auto* spin = qobject_cast(m_widgets.value(name, nullptr)); if (!spin) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isDouble()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } int intVal = static_cast(value.toDouble()); spin->setValue(intVal); } void JsonWidget::setFloatOption(const QString& name, const QJsonValue& value) { auto* spin = qobject_cast(m_widgets.value(name, nullptr)); if (!spin) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isDouble()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } spin->setValue(value.toDouble()); } void JsonWidget::setBooleanOption(const QString& name, const QJsonValue& value) { auto* checkBox = qobject_cast(m_widgets.value(name, nullptr)); if (!checkBox) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isBool()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } checkBox->setChecked(value.toBool()); } bool JsonWidget::optionString(const QString& option, QString& value) const { QWidget* widget = m_widgets.value(option, nullptr); bool retval = false; value.clear(); if (auto* edit = qobject_cast(widget)) { retval = true; value = edit->text(); } else if (auto* combo = qobject_cast(widget)) { retval = true; value = combo->currentText(); } else if (auto* spinbox = qobject_cast(widget)) { retval = true; value = QString::number(spinbox->value()); } else if (auto* dspinbox = qobject_cast(widget)) { retval = true; value = QString::number(dspinbox->value()); } else if (auto* fileBrowse = qobject_cast(widget)) { retval = true; value = fileBrowse->fileName(); } return retval; } QJsonObject JsonWidget::collectOptions() const { QJsonObject ret; foreach (QString label, m_widgets.keys()) { QWidget* widget = m_widgets.value(label, nullptr); if (auto* combo = qobject_cast(widget)) { ret.insert(label, combo->currentText()); } else if (auto* lineEdit = qobject_cast(widget)) { QString value(lineEdit->text()); if (value.isEmpty() && label == u"Title"_s) value = generateJobTitle(); ret.insert(label, value); } else if (auto* spinBox = qobject_cast(widget)) { ret.insert(label, spinBox->value()); } else if (auto* doubleSpinBox = qobject_cast(widget)) { ret.insert(label, doubleSpinBox->value()); } else if (auto* checkBox = qobject_cast(widget)) { ret.insert(label, checkBox->isChecked()); } else if (auto* fileBrowse = qobject_cast(widget)) { ret.insert(label, fileBrowse->fileName()); } else { qWarning() << tr("Unhandled widget in collectOptions for option '%1'.").arg(label); } } return ret; } void JsonWidget::applyOptions(const QJsonObject& opts) { foreach (const QString& label, opts.keys()) { setOption(label, opts[label]); qDebug() << "Setting option" << label << "to" << opts[label]; } } QString JsonWidget::generateJobTitle() const { QString calculation; bool haveCalculation(optionString(u"Calculation Type"_s, calculation)); QString theory; bool haveTheory(optionString(u"Theory"_s, theory)); QString basis; bool haveBasis(optionString(u"Basis"_s, basis)); // Merge theory/basis into theory if (haveBasis) { if (haveTheory) theory += "/"; theory += basis; theory.replace(QRegularExpression("\\s+"), ""); haveTheory = true; } if (m_batchMode) { QString result; result = haveCalculation ? calculation : QString(); result += haveTheory ? (result.size() != 0 ? " | " : QString()) + theory : QString(); return result; } QString formula(m_molecule ? QString::fromStdString(m_molecule->formula()) : tr("[no molecule]")); return QString("%1%2%3") .arg(formula) .arg(haveCalculation ? " | " + calculation : QString()) .arg(haveTheory ? " | " + theory : QString()); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/jsonwidget.h000066400000000000000000000115621516317240700247600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_JSONWIDGET_H #define AVOGADRO_QTGUI_JSONWIDGET_H #include "avogadroqtguiexport.h" #include #include #include #include class QJsonValue; class QTextEdit; class QWidget; namespace Avogadro { namespace QtGui { class Molecule; /** * @class JsonWidget jsonwidget.h * * @brief The JsonWidget class provides a user interface for * running external scripts * @sa InterfaceWidget * * The JsonWidget creates a GUI to represent the options given by an * script, turning JSON from the script into a form and passing the results * back to the script via command-line. * * It's used by a range of different scripts, including: * - Commands * - InterfaceGenerators */ class AVOGADROQTGUI_EXPORT JsonWidget : public QWidget { Q_OBJECT public: /** * Construct a widget that dynamically generates a GUI */ explicit JsonWidget(QWidget* parent_ = nullptr); ~JsonWidget() override; /** * Set the molecule used in the simulation. */ virtual void setMolecule(QtGui::Molecule* mol); /** * Collect all of the user-specified options into a JSON object, to be sent * to the generator script. */ QJsonObject collectOptions() const; /** * Apply the options in the passed QJsonObject to the GUI. Any widgets changed * by this method will have their signals blocked while modifying their * values. */ void applyOptions(const QJsonObject& opts); bool isEmpty() const { return m_empty; } public slots: /** * Update the preview text in the GUI. The base implementation does nothing; * subclasses that have a preview area (e.g. InputGeneratorWidget) override * this to regenerate their preview when options change. */ virtual void updatePreviewText() {} protected: /** * Given the name of a user-option in m_options, return the type string. * If an error occurs, an empty string will be returned. */ QString lookupOptionType(const QString& name) const; /** * Used to construct the script-specific GUI. * @{ */ virtual void updateOptions(); void buildOptionGui(); void combinedOptionRow(const QString& label1, const QString& label2, const QString& tr1, const QString& tr2, QJsonObject& options, bool bothLabels = false); void addOptionRow(const QString& key, const QString& label, const QJsonValue& option); QWidget* createOptionWidget(const QJsonValue& option); QWidget* createStringListWidget(const QJsonObject& obj); QWidget* createStringWidget(const QJsonObject& obj); QWidget* createFilePathWidget(const QJsonObject& obj); QWidget* createIntegerWidget(const QJsonObject& obj); QWidget* createFloatWidget(const QJsonObject& obj); QWidget* createBooleanWidget(const QJsonObject& obj); QWidget* createTextWidget(const QJsonObject& obj); QWidget* createTableWidget(const QJsonObject& obj); /**@}*/ /** * Set the simulation settings to their default values. * @{ */ void setOptionDefaults(); void setOption(const QString& name, const QJsonValue& defaultValue); void setStringListOption(const QString& name, const QJsonValue& value); void setStringOption(const QString& name, const QJsonValue& value); void setFilePathOption(const QString& name, const QJsonValue& value); void setIntegerOption(const QString& name, const QJsonValue& value); void setFloatOption(const QString& name, const QJsonValue& value); void setBooleanOption(const QString& name, const QJsonValue& value); void setTextOption(const QString& name, const QJsonValue& value); void setTableOption(const QString& name, const QJsonValue& value); /**@}*/ /** * @brief Search for an option named @a option and convert its value to a * string. * @param option The name of the option. * @param value String to overwrite with option value. * @return True if value is overwritten, false if the option is not found or * cannot be converted to a string. */ bool optionString(const QString& option, QString& value) const; /** * Update the autogenerated job title in the GUI. */ QString generateJobTitle() const; QtGui::Molecule* m_molecule; bool m_isTabbed; QJsonObject m_options; QJsonObject m_optionCache; // For reverting changes QList m_dirtyTextEdits; bool m_empty; bool m_batchMode; QFormLayout* m_currentLayout; QWidget* m_centralWidget; QMap m_widgets; QMap m_textEdits; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_JSONWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/layermodel.cpp000066400000000000000000000177701516317240700253020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "layermodel.h" #include "molecule.h" #include "rwmolecule.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::LayerManager; namespace { const int QTTY_COLUMNS = 6; } LayerModel::LayerModel(QObject* p) : QAbstractItemModel(p), m_item(0) { // determine if need dark mode or light mode icons // e.g. https://www.qt.io/blog/dark-mode-on-windows-11-with-qt-6.5 const QPalette defaultPalette; // i.e., the text is lighter than the background bool darkMode = (defaultPalette.color(QPalette::WindowText).lightness() > defaultPalette.color(QPalette::Window).lightness()); loadIcons(darkMode); } void LayerModel::loadIcons(bool darkMode) { QString iconPath = ":icons/fallback/32x32/"; QString dashedPreviewIconPath = iconPath + "dashed-preview-light.png"; QString dotsIconPath = iconPath + "dots-light.png"; QString lockIconPath = iconPath + "lock-light.png"; QString openLockIconPath = iconPath + "lock-open-light.png"; QString plusIconPath = iconPath + "plus-light.png"; QString previewIconPath = iconPath + "preview-light.png"; if (darkMode) { dashedPreviewIconPath = iconPath + "dashed-preview-dark.png"; dotsIconPath = iconPath + "dots-dark.png"; lockIconPath = iconPath + "lock-dark.png"; openLockIconPath = iconPath + "lock-open-dark.png"; plusIconPath = iconPath + "plus-dark.png"; previewIconPath = iconPath + "preview-dark.png"; } m_plusIcon = QIcon::fromTheme("list-add", QIcon(plusIconPath)); m_removeIcon = QIcon::fromTheme( "list-remove", QIcon(":/icons/fallback/32x32/edit-delete.png")); m_dotsIcon = QIcon::fromTheme("view-more", QIcon(dotsIconPath)); m_previewIcon = QIcon::fromTheme("view-visible", QIcon(previewIconPath)); m_previewDashedIcon = QIcon::fromTheme("view-hidden", QIcon(dashedPreviewIconPath)); m_lockIcon = QIcon::fromTheme("lock", QIcon(lockIconPath)); m_openLockIcon = QIcon::fromTheme("unlock", QIcon(openLockIconPath)); } QModelIndex LayerModel::parent(const QModelIndex&) const { return QModelIndex(); } int LayerModel::rowCount(const QModelIndex& p) const { if (p.isValid()) return 0; else return m_item; } int LayerModel::columnCount(const QModelIndex&) const { return QTTY_COLUMNS; } Qt::ItemFlags LayerModel::flags(const QModelIndex&) const { return Qt::ItemIsEnabled; } bool LayerModel::setData(const QModelIndex&, const QVariant&, int) { return false; } QVariant LayerModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || idx.column() > QTTY_COLUMNS) return QVariant(); auto names = activeMoleculeNames(); if (idx.row() == static_cast(names.size())) { if (idx.column() == 0) { switch (role) { case Qt::DecorationRole: return m_plusIcon; default: return QVariant(); } } return QVariant(); } auto name = names[idx.row()].second; auto layer = names[idx.row()].first; bool isLayer = (name == "Layer"); if (isLayer) { if (idx.column() == ColumnType::Name) { switch (role) { case Qt::DisplayRole: { return QString(tr("Layer %1")) .arg(layer + 1); // count starts at 0 internally } case Qt::FontRole: if (layer == getMoleculeLayer().activeLayer()) { QFont font; font.setBold(true); return font; } else { return QVariant(); } default: return QVariant(); } } else if (idx.column() == ColumnType::Menu) { if (role == Qt::DecorationRole) return m_dotsIcon; } else if (idx.column() == ColumnType::Visible) { if (role == Qt::DecorationRole) { if (visible(layer)) return m_previewIcon; else return m_previewDashedIcon; } } else if (idx.column() == ColumnType::Lock) { if (role == Qt::DecorationRole) { if (locked(layer)) return m_lockIcon; else return m_openLockIcon; } } else if (idx.column() == ColumnType::Remove) { if (role == Qt::DecorationRole) return m_removeIcon; } } else { if (idx.column() == ColumnType::Name) { switch (role) { case Qt::DisplayRole: { return " " + getTranslatedName(name); // should already be translated } } } } return QVariant(); } QString LayerModel::getTranslatedName(const std::string& name) const { // This is a bad hack, but whatever.. // Put all the strings that show up as layer options if (name == "Ball and Stick") return tr("Ball and Stick"); else if (name == "Cartoons") return tr("Cartoons", "protein ribbon / cartoon rendering"); else if (name == "Close Contacts") return tr("Close Contacts", "rendering of non-covalent close contacts"); else if (name == "Crystal Lattice") return tr("Crystal Lattice"); else if (name == "Force") return tr("Force"); else if (name == "Labels") return tr("Labels"); else if (name == "Licorice") return tr("Licorice", "stick / licorice rendering"); else if (name == "Surfaces") return tr("Surfaces"); else if (name == "Non-Covalent") return tr("Non-Covalent"); else if (name == "QTAIM") return tr("QTAIM", "quantum theory of atoms in molecules"); else if (name == "Symmetry Elements") return tr("Symmetry Elements"); else if (name == "Van der Waals") return tr("Van der Waals"); else if (name == "Van der Waals (AO)") return tr("Van der Waals (AO)", "ambient occlusion"); else if (name == "Volumes") return tr("Volumes", "volumetric clouds"); else if (name == "Wireframe") return tr("Wireframe"); else if (name == "Reference Axes") return tr("Reference Axes"); qDebug() << "LayerModel: name didn't match: " << name.c_str(); return QString(name.c_str()); } QModelIndex LayerModel::index(int row, int column, const QModelIndex& p) const { if (!p.isValid()) if (row >= 0 && row <= static_cast(m_item)) return createIndex(row, column); return QModelIndex(); } void LayerModel::addLayer(RWMolecule* rwmolecule) { addItem(); RWLayerManager::addLayer(rwmolecule); } void LayerModel::addItem() { beginInsertRows(QModelIndex(), m_item, m_item); endInsertRows(); ++m_item; } void LayerModel::updateRows() { while (m_item > activeMoleculeNames().size()) { beginRemoveRows(QModelIndex(), m_item, m_item); endRemoveRows(); --m_item; } while (m_item <= activeMoleculeNames().size()) { addItem(); } emit dataChanged(createIndex(0, 0), createIndex(m_item, 0)); } void LayerModel::addMolecule(const Molecule* mol) { RWLayerManager::addMolecule(mol); m_item = 0; updateRows(); connect(mol, &Molecule::changed, this, &LayerModel::updateRows); } void LayerModel::setActiveLayer(int index, RWMolecule* rwmolecule) { auto names = activeMoleculeNames(); assert(index < static_cast(names.size())); RWLayerManager::setActiveLayer(names[index].first, rwmolecule); updateRows(); } void LayerModel::removeItem(int row, RWMolecule* rwmolecule) { if (row <= static_cast(m_item)) { auto names = activeMoleculeNames(); removeLayer(static_cast(names[row].first), rwmolecule); updateRows(); } } size_t LayerModel::items() const { return m_item; } void LayerModel::flipVisible(size_t row) { auto names = activeMoleculeNames(); auto layer = names[row].first; RWLayerManager::flipVisible(layer); } void LayerModel::flipLocked(size_t row) { auto names = activeMoleculeNames(); auto layer = names[row].first; RWLayerManager::flipLocked(layer); } size_t LayerModel::layerCount() const { return LayerManager::layerCount(); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/layermodel.h000066400000000000000000000043351516317240700247400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_LAYERMODEL_H #define AVOGADRO_QTGUI_LAYERMODEL_H #include "avogadroqtguiexport.h" #include "rwlayermanager.h" #include #include #include namespace Avogadro { namespace QtGui { class Molecule; class RWMolecule; /** * @class LayerModel layermodel.h * @brief UI for the layer dock. */ class AVOGADROQTGUI_EXPORT LayerModel : public QAbstractItemModel, public QtGui::RWLayerManager { Q_OBJECT public: enum ColumnType { Name = 0, Menu = 1, Visible = 2, Lock = 3, Remove = 5 }; explicit LayerModel(QObject* p = nullptr); void loadIcons(bool darkMode); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void addItem(); void addLayer(RWMolecule* rwmolecule); void addMolecule(const Molecule* mol); void setActiveLayer(int index, RWMolecule* rwmolecule); void removeItem(int row, RWMolecule* rwmolecule); size_t items() const; void flipVisible(size_t row); void flipLocked(size_t row); size_t layerCount() const; public slots: void updateRows(); private: QString getTranslatedName(const std::string& name) const; size_t m_item; QIcon m_plusIcon; QIcon m_dotsIcon; QIcon m_previewIcon; QIcon m_previewDashedIcon; QIcon m_lockIcon; QIcon m_openLockIcon; QIcon m_removeIcon; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_LAYERMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/meshgenerator.cpp000066400000000000000000001400641516317240700260010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "meshgenerator.h" #include #include #include #include #include namespace Avogadro::QtGui { using Core::Cube; using Core::Mesh; MeshGenerator::MeshGenerator(QObject* p) : QThread(p), m_iso(0.0), m_passes(6), m_reverseWinding(false), m_cube(nullptr), m_mesh(nullptr), m_stepSize(0.0, 0.0, 0.0), m_min(0.0, 0.0, 0.0), m_dim(0, 0, 0), m_progmin(0), m_progmax(0) { } MeshGenerator::MeshGenerator(const Cube* cube_, Mesh* mesh_, float iso, int passes, bool reverse, QObject* p) : QThread(p), m_iso(0.0), m_passes(6), m_reverseWinding(reverse), m_cube(nullptr), m_mesh(nullptr), m_stepSize(0.0, 0.0, 0.0), m_min(0.0, 0.0, 0.0), m_dim(0, 0, 0), m_progmin(0), m_progmax(0) { initialize(cube_, mesh_, iso, passes); } MeshGenerator::~MeshGenerator() {} bool MeshGenerator::initialize(const Cube* cube_, Mesh* mesh_, float iso, int passes, bool reverse) { if (!cube_ || !mesh_) return false; m_cube = cube_; m_mesh = mesh_; m_iso = iso; m_passes = passes; m_reverseWinding = reverse; for (unsigned int i = 0; i < 3; ++i) m_stepSize[i] = static_cast(m_cube->spacing()[i]); m_min = m_cube->min().cast(); m_dim = m_cube->dimensions(); edgeCases.resize((m_dim.x() - 1) * (m_dim.y()) * (m_dim.z())); cubeCases.resize((m_dim.x() - 1) * (m_dim.y() - 1) * (m_dim.z() - 1)); gridEdges.resize(m_dim.y() * m_dim.z()); triCounter.resize((m_dim.y() - 1) * (m_dim.z() - 1)); m_progmax = m_dim.x(); return true; } void MeshGenerator::FlyingEdgesAlgorithmPass1() { for (int k = 0; k != m_dim.z(); ++k) { for (int j = 0; j != m_dim.y(); ++j) { auto curEdgeCases = edgeCases.begin() + (m_dim.x() - 1) * (k * m_dim.y() + j); std::array isGE; isGE[0] = (m_cube->getData(0, j, k) >= m_iso); for (int i = 1; i != m_dim.x(); ++i) { isGE[i % 2] = (m_cube->getData(i, j, k) >= m_iso); curEdgeCases[i - 1] = calcCaseEdge(isGE[(i + 1) % 2], isGE[i % 2]); } } } for (int k = 0; k != m_dim.z(); ++k) { for (int j = 0; j != m_dim.y(); ++j) { gridEdge& curGridEdge = gridEdges[k * m_dim.y() + j]; curGridEdge.xl = m_dim.x(); for (int i = 1; i != m_dim.x(); ++i) { // if the edge is cut if (isCutEdge(i - 1, j, k)) { if (curGridEdge.xl == m_dim.x()) { curGridEdge.xl = i - 1; } curGridEdge.xr = i; } } } } } void MeshGenerator::FlyingEdgesAlgorithmPass2() { for (int k = 0; k != m_dim.z() - 1; ++k) { for (int j = 0; j != m_dim.y() - 1; ++j) { int xl, xr; calcTrimValues(xl, xr, j, k); // xl, xr set in this function gridEdge& ge0 = gridEdges[k * m_dim.y() + j]; gridEdge& ge1 = gridEdges[k * m_dim.y() + j + 1]; gridEdge& ge2 = gridEdges[(k + 1) * m_dim.y() + j]; gridEdge& ge3 = gridEdges[(k + 1) * m_dim.y() + j + 1]; auto const& ec0 = edgeCases.begin() + (m_dim.x() - 1) * (k * m_dim.y() + j); auto const& ec1 = edgeCases.begin() + (m_dim.x() - 1) * (k * m_dim.y() + j + 1); auto const& ec2 = edgeCases.begin() + (m_dim.x() - 1) * ((k + 1) * m_dim.y() + j); auto const& ec3 = edgeCases.begin() + (m_dim.x() - 1) * ((k + 1) * m_dim.y() + j + 1); // Count the number of triangles along this row of cubes int& curTriCounter = *(triCounter.begin() + k * (m_dim.y() - 1) + j); auto curCubeCaseIds = cubeCases.begin() + (m_dim.x() - 1) * (k * (m_dim.y() - 1) + j); bool isYEnd = (j == m_dim.y() - 2); bool isZEnd = (k == m_dim.z() - 2); for (int i = xl; i != xr; ++i) { bool isXEnd = (i == m_dim.x() - 2); unsigned char caseId = calcCubeCase( ec0[i], ec1[i], ec2[i], ec3[i]); // todo cubeCase not decleared curCubeCaseIds[i] = caseId; if (caseId == 0 || caseId == 255) { continue; } curTriCounter += m_numTris[caseId]; // not declared const bool* isCutCase = m_isCut[caseId]; // size 12 ge0.xstart += isCutCase[0]; ge0.ystart += isCutCase[3]; ge0.zstart += isCutCase[8]; if (isXEnd) { ge0.ystart += isCutCase[1]; ge0.zstart += isCutCase[9]; } if (isYEnd) { ge1.xstart += isCutCase[2]; ge1.zstart += isCutCase[10]; } if (isZEnd) { ge2.xstart += isCutCase[4]; ge2.ystart += isCutCase[7]; } if (isXEnd && isYEnd) { ge1.zstart += isCutCase[11]; } if (isXEnd && isZEnd) { ge2.ystart += isCutCase[5]; } if (isYEnd && isZEnd) { ge3.xstart += isCutCase[6]; } } } } } void MeshGenerator::FlyingEdgesAlgorithmPass3() { int tmp; int triAccum = 0; for (int k = 0; k != m_dim.z() - 1; ++k) { for (int j = 0; j != m_dim.y() - 1; ++j) { int& curTriCounter = triCounter[k * (m_dim.y() - 1) + j]; tmp = curTriCounter; curTriCounter = triAccum; triAccum += tmp; } } int pointAccum = 0; for (int k = 0; k != m_dim.z(); ++k) { for (int j = 0; j != m_dim.y(); ++j) { gridEdge& curGridEdge = gridEdges[(k * m_dim.y()) + j]; tmp = curGridEdge.xstart; curGridEdge.xstart = pointAccum; pointAccum += tmp; tmp = curGridEdge.ystart; curGridEdge.ystart = pointAccum; pointAccum += tmp; tmp = curGridEdge.zstart; curGridEdge.zstart = pointAccum; pointAccum += tmp; } } m_vertices.resize(pointAccum); m_normals.resize(pointAccum); m_triangles.resize(triAccum); } void MeshGenerator::FlyingEdgesAlgorithmPass4() { for (int k = 0; k != m_dim.z() - 1; ++k) { for (int j = 0; j != m_dim.y() - 1; ++j) { // find adjusted trim values int xl, xr; calcTrimValues(xl, xr, j, k); // xl, xr set in this function if (xl == xr) continue; int triIdx = triCounter[(k * (m_dim.y() - 1)) + j]; auto curCubeCaseIds = cubeCases.begin() + (m_dim.x() - 1) * (k * (m_dim.y() - 1) + j); gridEdge const& ge0 = gridEdges[k * m_dim.y() + j]; gridEdge const& ge1 = gridEdges[k * m_dim.y() + j + 1]; gridEdge const& ge2 = gridEdges[(k + 1) * m_dim.y() + j]; gridEdge const& ge3 = gridEdges[(k + 1) * m_dim.y() + j + 1]; int x0counter = 0; int y0counter = 0; int z0counter = 0; int x1counter = 0; int z1counter = 0; int x2counter = 0; int y2counter = 0; int x3counter = 0; bool isYEnd = (j == m_dim.y() - 2); bool isZEnd = (k == m_dim.z() - 2); for (int i = xl; i != xr; ++i) { bool isXEnd = (i == m_dim.x() - 2); unsigned char caseId = curCubeCaseIds[i]; if (caseId == 0 || caseId == 255) { continue; } const bool* isCutCase = m_isCut[caseId]; // size 12 std::array, 8> pointCube = m_cube->getPosCube(i, j, k); std::array isovalCube = m_cube->getValsCube(i, j, k); std::array, 8> gradCube = m_cube->getGradCube(i, j, k); // Add Points and normals. // Calculate global indices for triangles std::array globalIdxs; if (isCutCase[0]) { // points-> array int idx = ge0.xstart + x0counter; std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 0); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 0); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); globalIdxs[0] = idx; ++x0counter; } if (isCutCase[3]) { int idx = ge0.ystart + y0counter; std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 3); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 3); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); globalIdxs[3] = idx; ++y0counter; } if (isCutCase[8]) { int idx = ge0.zstart + z0counter; std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 8); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 8); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); globalIdxs[8] = idx; ++z0counter; } if (isCutCase[1]) { int idx = ge0.ystart + y0counter; if (isXEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 1); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 1); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); // y0counter counter doesn't need to be incremented // because it won't be used again. } globalIdxs[1] = idx; } if (isCutCase[9]) { int idx = ge0.zstart + z0counter; if (isXEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 9); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 9); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); // z0counter doesn't need to in incremented. } globalIdxs[9] = idx; } if (isCutCase[2]) { int idx = ge1.xstart + x1counter; if (isYEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 2); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 2); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[2] = idx; ++x1counter; } if (isCutCase[10]) { int idx = ge1.zstart + z1counter; if (isYEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 10); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 10); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[10] = idx; ++z1counter; } if (isCutCase[4]) { int idx = ge2.xstart + x2counter; if (isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 4); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 4); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[4] = idx; ++x2counter; } if (isCutCase[7]) { int idx = ge2.ystart + y2counter; if (isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 7); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 7); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[7] = idx; ++y2counter; } if (isCutCase[11]) { int idx = ge1.zstart + z1counter; if (isXEnd && isYEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 11); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 11); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[11] = idx; } if (isCutCase[5]) { int idx = ge2.ystart + y2counter; if (isXEnd && isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 5); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 5); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); // y2 counter does not need to be incremented. } globalIdxs[5] = idx; } if (isCutCase[6]) { int idx = ge3.xstart + x3counter; if (isYEnd && isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 6); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 6); m_vertices[idx] = Vector3f( interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[6] = idx; ++x3counter; } // Add triangles const signed char* caseTri = m_caseTriangles[caseId]; // size 16 for (int idx = 0; caseTri[idx] != -1; idx += 3) { if (!m_reverseWinding) { // Reverse winding order by swapping vertices 1 and 2 m_triangles[triIdx][0] = globalIdxs[caseTri[idx]]; m_triangles[triIdx][1] = globalIdxs[caseTri[idx + 2]]; m_triangles[triIdx][2] = globalIdxs[caseTri[idx + 1]]; } else { m_triangles[triIdx][0] = globalIdxs[caseTri[idx]]; m_triangles[triIdx][1] = globalIdxs[caseTri[idx + 1]]; m_triangles[triIdx][2] = globalIdxs[caseTri[idx + 2]]; } ++triIdx; } } } } } void MeshGenerator::run() { if (!m_cube || !m_mesh) { qDebug() << "No mesh or cube set - nothing to find isosurface of…"; return; } m_mesh->setStable(false); m_mesh->clear(); // flying-edges passes for the creation of normal, vertices and triangles FlyingEdgesAlgorithmPass1(); FlyingEdgesAlgorithmPass2(); FlyingEdgesAlgorithmPass3(); FlyingEdgesAlgorithmPass4(); m_mesh->setVertices(m_vertices); m_mesh->setNormals(m_normals); m_mesh->setTriangles(m_triangles); m_mesh->smooth(m_passes); m_mesh->setStable(true); // clearing the memory m_vertices.resize(0); m_normals.resize(0); m_triangles.resize(0); edgeCases.resize(0); cubeCases.resize(0); gridEdges.resize(0); triCounter.resize(0); } void MeshGenerator::clear() { m_iso = 0.0; m_passes = 6; m_cube = nullptr; m_mesh = nullptr; m_stepSize.setZero(); m_min.setZero(); m_dim.setZero(); m_progmin = 0; m_progmax = 0; } unsigned char MeshGenerator::calcCubeCase(unsigned char const& ec0, unsigned char const& ec1, unsigned char const& ec2, unsigned char const& ec3) const { unsigned char caseId = 0; if ((ec0 == 0) || (ec0 == 2)) // Vertex 0 at (i, j, k) caseId |= 1; if ((ec0 == 0) || (ec0 == 1)) // Vertex 1 at (i+1, j, k) caseId |= 2; if ((ec1 == 0) || (ec1 == 1)) // Vertex 2 at (i+1, j+1, k) caseId |= 4; if ((ec1 == 0) || (ec1 == 2)) // Vertex 3 at (i, j+1, k) caseId |= 8; if ((ec2 == 0) || (ec2 == 2)) // Vertex 4 at (i, j, k+1) caseId |= 16; if ((ec2 == 0) || (ec2 == 1)) // Vertex 5 at (i+1, j, k+1) caseId |= 32; if ((ec3 == 0) || (ec3 == 1)) // Vertex 6 at (i+1, j+1, k+1) caseId |= 64; if ((ec3 == 0) || (ec3 == 2)) // Vertex 7 at (i, j+1, k+1) caseId |= 128; return caseId; } bool MeshGenerator::isCutEdge(int const& i, int const& j, int const& k) const { // Assuming edgeCases are all set int edgeCaseIdx = k * ((m_dim.x() - 1) * m_dim.y()) + (j * (m_dim.x() - 1)) + i; unsigned char edgeCase = edgeCases[edgeCaseIdx]; if (edgeCase == 1 || edgeCase == 2) { return true; } if (j != m_dim.y() - 1) { int edgeCaseIdxY = (k * (m_dim.x() - 1) * m_dim.y()) + ((j + 1) * (m_dim.x() - 1)) + i; unsigned char edgeCaseY = edgeCases[edgeCaseIdxY]; // If the sum is odd, the edge along the y-axis is cut if ((edgeCase + edgeCaseY) % 2 == 1) { return true; } } if (k != m_dim.z() - 1) { int edgeCaseIdxZ = ((k + 1) * (m_dim.x() - 1) * m_dim.y()) + (j * (m_dim.x() - 1)) + i; unsigned char edgeCaseZ = edgeCases[edgeCaseIdxZ]; // If the sum is odd, the edge along the z-axis is cut if ((edgeCase + edgeCaseZ) % 2 == 1) { return true; } } return false; } unsigned char MeshGenerator::calcCaseEdge(bool const& prevEdge, bool const& currEdge) const { // o -- is greater than or equal to // case 0: prevEdge = true, currEdge = true // case 1: prevEdge = false, currEdge = true // case 2: prevEdge = true, currEdge = false // case 3: prevEdge = false, currEdge = false if (prevEdge && currEdge) return 0; if (!prevEdge && currEdge) return 1; if (prevEdge && !currEdge) return 2; else // !prevEdge && !currEdge return 3; } unsigned long MeshGenerator::duplicate(const Vector3i&, const Vector3f&) { // FIXME Not implemented yet. return 0; } void MeshGenerator::calcTrimValues(int& xl, int& xr, int const& j, int const& k) const { const gridEdge& ge0 = gridEdges[k * m_dim.y() + j]; const gridEdge& ge1 = gridEdges[k * m_dim.y() + j + 1]; const gridEdge& ge2 = gridEdges[(k + 1) * m_dim.y() + j]; const gridEdge& ge3 = gridEdges[(k + 1) * m_dim.y() + j + 1]; xl = std::min({ ge0.xl, ge1.xl, ge2.xl, ge3.xl }); xr = std::max({ ge0.xr, ge1.xr, ge2.xr, ge3.xr }); if (xl > xr) xl = xr; } inline std::array MeshGenerator::interpolateOnCube( std::array, 8> const& pts, std::array const& isovals, unsigned char const& edge) const { unsigned char i0 = m_edgeVertices[edge][0]; unsigned char i1 = m_edgeVertices[edge][1]; float weight = (m_iso - isovals[i0]) / (isovals[i1] - isovals[i0]); return interpolate(pts[i0], pts[i1], weight); } inline std::array MeshGenerator::interpolate( std::array const& a, std::array const& b, float const& weight) const { std::array ret; ret[0] = a[0] + (weight * (b[0] - a[0])); ret[1] = a[1] + (weight * (b[1] - a[1])); ret[2] = a[2] + (weight * (b[2] - a[2])); return ret; } // flying edges tables using: const unsigned char MeshGenerator::m_numTris[256] = { // clang-format off 0, 1, 1, 2, 1, 2, 2, 3, 1, 2, 2, 3, 2, 3, 3, 2, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 2, 3, 3, 2, 3, 4, 4, 3, 3, 4, 4, 3, 4, 5, 5, 2, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 2, 3, 3, 4, 3, 4, 4, 5, 3, 4, 4, 5, 4, 5, 5, 4, 2, 3, 3, 4, 3, 4, 2, 3, 3, 4, 4, 5, 4, 5, 3, 2, 3, 4, 4, 3, 4, 5, 3, 2, 4, 5, 5, 4, 5, 2, 4, 1, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 2, 3, 3, 4, 3, 4, 4, 5, 3, 2, 4, 3, 4, 3, 5, 2, 2, 3, 3, 4, 3, 4, 4, 5, 3, 4, 4, 5, 4, 5, 5, 4, 3, 4, 4, 3, 4, 5, 5, 4, 4, 3, 5, 2, 5, 4, 2, 1, 2, 3, 3, 4, 3, 4, 4, 5, 3, 4, 4, 5, 2, 3, 3, 2, 3, 4, 4, 5, 4, 5, 5, 2, 4, 3, 5, 4, 3, 2, 4, 1, 3, 4, 4, 5, 4, 5, 3, 4, 4, 5, 5, 2, 3, 4, 2, 1, 2, 3, 3, 2, 3, 4, 2, 1, 3, 2, 4, 1, 2, 1, 1, 0 // clang-format on }; const bool MeshGenerator::m_isCut[256][12] = { { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 }, { 1, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0 }, { 1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0 }, { 0, 1, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0 }, { 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1 }, { 1, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 1 }, { 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1 }, { 0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 1 }, { 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0 }, { 1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0 }, { 1, 1, 1, 1, 0, 0, 0, 0, 0, 1, 1, 0 }, { 0, 1, 1, 0, 0, 0, 0, 0, 1, 1, 1, 0 }, { 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1 }, { 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1 }, { 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 1, 1 }, { 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1 }, { 0, 0, 0, 0, 1, 0, 0, 1, 1, 0, 0, 0 }, { 1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0 }, { 1, 1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 0 }, { 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0 }, { 0, 1, 1, 0, 1, 0, 0, 1, 1, 0, 0, 1 }, { 1, 1, 1, 1, 1, 0, 0, 1, 0, 0, 0, 1 }, { 1, 0, 1, 0, 1, 0, 0, 1, 1, 1, 0, 1 }, { 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 1 }, { 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0 }, { 1, 0, 1, 0, 1, 0, 0, 1, 0, 0, 1, 0 }, { 1, 1, 1, 1, 1, 0, 0, 1, 1, 1, 1, 0 }, { 0, 1, 1, 0, 1, 0, 0, 1, 0, 1, 1, 0 }, { 0, 1, 0, 1, 1, 0, 0, 1, 1, 0, 1, 1 }, { 1, 1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 1 }, { 1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1 }, { 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 1, 1 }, { 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0 }, { 1, 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 0 }, { 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0 }, { 0, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0 }, { 0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 0, 1 }, { 1, 1, 1, 1, 1, 1, 0, 0, 1, 1, 0, 1 }, { 1, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 1 }, { 0, 0, 1, 1, 1, 1, 0, 0, 1, 0, 0, 1 }, { 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 1, 0 }, { 1, 0, 1, 0, 1, 1, 0, 0, 1, 1, 1, 0 }, { 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 1, 0 }, { 0, 1, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0 }, { 0, 1, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1 }, { 1, 1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1 }, { 1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 1 }, { 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 1 }, { 0, 0, 0, 0, 0, 1, 0, 1, 1, 1, 0, 0 }, { 1, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0, 0 }, { 1, 1, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0 }, { 0, 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0 }, { 0, 1, 1, 0, 0, 1, 0, 1, 1, 1, 0, 1 }, { 1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1 }, { 1, 0, 1, 0, 0, 1, 0, 1, 1, 0, 0, 1 }, { 0, 0, 1, 1, 0, 1, 0, 1, 0, 0, 0, 1 }, { 0, 0, 1, 1, 0, 1, 0, 1, 1, 1, 1, 0 }, { 1, 0, 1, 0, 0, 1, 0, 1, 0, 1, 1, 0 }, { 1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 1, 0 }, { 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 1, 0 }, { 0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1, 1 }, { 1, 1, 0, 0, 0, 1, 0, 1, 0, 1, 1, 1 }, { 1, 0, 0, 1, 0, 1, 0, 1, 1, 0, 1, 1 }, { 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1 }, { 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1 }, { 1, 0, 0, 1, 0, 1, 1, 0, 1, 0, 0, 1 }, { 1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1 }, { 0, 1, 0, 1, 0, 1, 1, 0, 1, 1, 0, 1 }, { 0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0 }, { 1, 1, 1, 1, 0, 1, 1, 0, 1, 0, 0, 0 }, { 1, 0, 1, 0, 0, 1, 1, 0, 0, 1, 0, 0 }, { 0, 0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 0 }, { 0, 0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 1 }, { 1, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1, 1 }, { 1, 1, 1, 1, 0, 1, 1, 0, 0, 1, 1, 1 }, { 0, 1, 1, 0, 0, 1, 1, 0, 1, 1, 1, 1 }, { 0, 1, 0, 1, 0, 1, 1, 0, 0, 0, 1, 0 }, { 1, 1, 0, 0, 0, 1, 1, 0, 1, 0, 1, 0 }, { 1, 0, 0, 1, 0, 1, 1, 0, 0, 1, 1, 0 }, { 0, 0, 0, 0, 0, 1, 1, 0, 1, 1, 1, 0 }, { 0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 1 }, { 1, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1 }, { 1, 1, 0, 0, 1, 1, 1, 1, 1, 1, 0, 1 }, { 0, 1, 0, 1, 1, 1, 1, 1, 0, 1, 0, 1 }, { 0, 1, 1, 0, 1, 1, 1, 1, 1, 0, 0, 0 }, { 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0 }, { 1, 0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 0 }, { 0, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0, 0 }, { 0, 0, 1, 1, 1, 1, 1, 1, 1, 0, 1, 1 }, { 1, 0, 1, 0, 1, 1, 1, 1, 0, 0, 1, 1 }, { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 }, { 0, 1, 1, 0, 1, 1, 1, 1, 0, 1, 1, 1 }, { 0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0 }, { 1, 1, 0, 0, 1, 1, 1, 1, 0, 0, 1, 0 }, { 1, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 0 }, { 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 1, 0 }, { 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 1 }, { 1, 0, 0, 1, 1, 0, 1, 0, 1, 1, 0, 1 }, { 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1 }, { 0, 1, 0, 1, 1, 0, 1, 0, 1, 0, 0, 1 }, { 0, 1, 1, 0, 1, 0, 1, 0, 0, 1, 0, 0 }, { 1, 1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 0 }, { 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0, 0 }, { 0, 0, 1, 1, 1, 0, 1, 0, 1, 0, 0, 0 }, { 0, 0, 1, 1, 1, 0, 1, 0, 0, 1, 1, 1 }, { 1, 0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1 }, { 1, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 1 }, { 0, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1, 1 }, { 0, 1, 0, 1, 1, 0, 1, 0, 0, 1, 1, 0 }, { 1, 1, 0, 0, 1, 0, 1, 0, 1, 1, 1, 0 }, { 1, 0, 0, 1, 1, 0, 1, 0, 0, 0, 1, 0 }, { 0, 0, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0 }, { 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1 }, { 1, 0, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1 }, { 1, 1, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1 }, { 0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1 }, { 0, 1, 1, 0, 0, 0, 1, 1, 1, 1, 0, 0 }, { 1, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0, 0 }, { 1, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0 }, { 0, 0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0 }, { 0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1, 1 }, { 1, 0, 1, 0, 0, 0, 1, 1, 0, 1, 1, 1 }, { 1, 1, 1, 1, 0, 0, 1, 1, 1, 0, 1, 1 }, { 0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 1 }, { 0, 1, 0, 1, 0, 0, 1, 1, 1, 1, 1, 0 }, { 1, 1, 0, 0, 0, 0, 1, 1, 0, 1, 1, 0 }, { 1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 1, 0 }, { 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0 }, { 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0 }, { 1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 1, 0 }, { 1, 1, 0, 0, 0, 0, 1, 1, 0, 1, 1, 0 }, { 0, 1, 0, 1, 0, 0, 1, 1, 1, 1, 1, 0 }, { 0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 1 }, { 1, 1, 1, 1, 0, 0, 1, 1, 1, 0, 1, 1 }, { 1, 0, 1, 0, 0, 0, 1, 1, 0, 1, 1, 1 }, { 0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1, 1 }, { 0, 0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0 }, { 1, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0 }, { 1, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0, 0 }, { 0, 1, 1, 0, 0, 0, 1, 1, 1, 1, 0, 0 }, { 0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1 }, { 1, 1, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1 }, { 1, 0, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1 }, { 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1 }, { 0, 0, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0 }, { 1, 0, 0, 1, 1, 0, 1, 0, 0, 0, 1, 0 }, { 1, 1, 0, 0, 1, 0, 1, 0, 1, 1, 1, 0 }, { 0, 1, 0, 1, 1, 0, 1, 0, 0, 1, 1, 0 }, { 0, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1, 1 }, { 1, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 1 }, { 1, 0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1 }, { 0, 0, 1, 1, 1, 0, 1, 0, 0, 1, 1, 1 }, { 0, 0, 1, 1, 1, 0, 1, 0, 1, 0, 0, 0 }, { 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0, 0 }, { 1, 1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 0 }, { 0, 1, 1, 0, 1, 0, 1, 0, 0, 1, 0, 0 }, { 0, 1, 0, 1, 1, 0, 1, 0, 1, 0, 0, 1 }, { 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1 }, { 1, 0, 0, 1, 1, 0, 1, 0, 1, 1, 0, 1 }, { 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 1 }, { 0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 1, 0 }, { 1, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 0 }, { 1, 1, 0, 0, 1, 1, 1, 1, 0, 0, 1, 0 }, { 0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0 }, { 0, 1, 1, 0, 1, 1, 1, 1, 0, 1, 1, 1 }, { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 }, { 1, 0, 1, 0, 1, 1, 1, 1, 0, 0, 1, 1 }, { 0, 0, 1, 1, 1, 1, 1, 1, 1, 0, 1, 1 }, { 0, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0, 0 }, { 1, 0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 0 }, { 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0 }, { 0, 1, 1, 0, 1, 1, 1, 1, 1, 0, 0, 0 }, { 0, 1, 0, 1, 1, 1, 1, 1, 0, 1, 0, 1 }, { 1, 1, 0, 0, 1, 1, 1, 1, 1, 1, 0, 1 }, { 1, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1 }, { 0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 1 }, { 0, 0, 0, 0, 0, 1, 1, 0, 1, 1, 1, 0 }, { 1, 0, 0, 1, 0, 1, 1, 0, 0, 1, 1, 0 }, { 1, 1, 0, 0, 0, 1, 1, 0, 1, 0, 1, 0 }, { 0, 1, 0, 1, 0, 1, 1, 0, 0, 0, 1, 0 }, { 0, 1, 1, 0, 0, 1, 1, 0, 1, 1, 1, 1 }, { 1, 1, 1, 1, 0, 1, 1, 0, 0, 1, 1, 1 }, { 1, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1, 1 }, { 0, 0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 1 }, { 0, 0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 0 }, { 1, 0, 1, 0, 0, 1, 1, 0, 0, 1, 0, 0 }, { 1, 1, 1, 1, 0, 1, 1, 0, 1, 0, 0, 0 }, { 0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0 }, { 0, 1, 0, 1, 0, 1, 1, 0, 1, 1, 0, 1 }, { 1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1 }, { 1, 0, 0, 1, 0, 1, 1, 0, 1, 0, 0, 1 }, { 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1 }, { 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1 }, { 1, 0, 0, 1, 0, 1, 0, 1, 1, 0, 1, 1 }, { 1, 1, 0, 0, 0, 1, 0, 1, 0, 1, 1, 1 }, { 0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1, 1 }, { 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 1, 0 }, { 1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 1, 0 }, { 1, 0, 1, 0, 0, 1, 0, 1, 0, 1, 1, 0 }, { 0, 0, 1, 1, 0, 1, 0, 1, 1, 1, 1, 0 }, { 0, 0, 1, 1, 0, 1, 0, 1, 0, 0, 0, 1 }, { 1, 0, 1, 0, 0, 1, 0, 1, 1, 0, 0, 1 }, { 1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1 }, { 0, 1, 1, 0, 0, 1, 0, 1, 1, 1, 0, 1 }, { 0, 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0 }, { 1, 1, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0 }, { 1, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0, 0 }, { 0, 0, 0, 0, 0, 1, 0, 1, 1, 1, 0, 0 }, { 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 1 }, { 1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 1 }, { 1, 1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1 }, { 0, 1, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1 }, { 0, 1, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0 }, { 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 1, 0 }, { 1, 0, 1, 0, 1, 1, 0, 0, 1, 1, 1, 0 }, { 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 1, 0 }, { 0, 0, 1, 1, 1, 1, 0, 0, 1, 0, 0, 1 }, { 1, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 1 }, { 1, 1, 1, 1, 1, 1, 0, 0, 1, 1, 0, 1 }, { 0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 0, 1 }, { 0, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0 }, { 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0 }, { 1, 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 0 }, { 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0 }, { 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 1, 1 }, { 1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1 }, { 1, 1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 1 }, { 0, 1, 0, 1, 1, 0, 0, 1, 1, 0, 1, 1 }, { 0, 1, 1, 0, 1, 0, 0, 1, 0, 1, 1, 0 }, { 1, 1, 1, 1, 1, 0, 0, 1, 1, 1, 1, 0 }, { 1, 0, 1, 0, 1, 0, 0, 1, 0, 0, 1, 0 }, { 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0 }, { 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 1 }, { 1, 0, 1, 0, 1, 0, 0, 1, 1, 1, 0, 1 }, { 1, 1, 1, 1, 1, 0, 0, 1, 0, 0, 0, 1 }, { 0, 1, 1, 0, 1, 0, 0, 1, 1, 0, 0, 1 }, { 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0 }, { 1, 1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 0 }, { 1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0 }, { 0, 0, 0, 0, 1, 0, 0, 1, 1, 0, 0, 0 }, { 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1 }, { 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 1, 1 }, { 1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1 }, { 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1 }, { 0, 1, 1, 0, 0, 0, 0, 0, 1, 1, 1, 0 }, { 1, 1, 1, 1, 0, 0, 0, 0, 0, 1, 1, 0 }, { 1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0 }, { 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0 }, { 0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 1 }, { 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1 }, { 1, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 1 }, { 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1 }, { 0, 1, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0 }, { 1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0 }, { 1, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0 }, { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 } }; const signed char MeshGenerator::m_caseTriangles[256][16]{ { -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 9, 1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 3, 8, 9, 1, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 8, 1, 11, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 11, 2, 0, 9, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 2, 3, 8, 2, 8, 11, 11, 8, 9, -1, -1, -1, -1, -1, -1, -1 }, { 3, 2, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 2, 10, 8, 0, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 0, 9, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 2, 10, 1, 10, 9, 9, 10, 8, -1, -1, -1, -1, -1, -1, -1 }, { 3, 1, 11, 10, 3, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 1, 11, 0, 11, 8, 8, 11, 10, -1, -1, -1, -1, -1, -1, -1 }, { 3, 0, 9, 3, 9, 10, 10, 9, 11, -1, -1, -1, -1, -1, -1, -1 }, { 9, 11, 8, 11, 10, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 8, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 0, 3, 7, 4, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 9, 1, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 9, 1, 4, 1, 7, 7, 1, 3, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 2, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 3, 7, 4, 3, 4, 0, 1, 11, 2, -1, -1, -1, -1, -1, -1, -1 }, { 9, 11, 2, 9, 2, 0, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1 }, { 2, 9, 11, 2, 7, 9, 2, 3, 7, 7, 4, 9, -1, -1, -1, -1 }, { 8, 7, 4, 3, 2, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 10, 7, 4, 10, 4, 2, 2, 4, 0, -1, -1, -1, -1, -1, -1, -1 }, { 9, 1, 0, 8, 7, 4, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1 }, { 4, 10, 7, 9, 10, 4, 9, 2, 10, 9, 1, 2, -1, -1, -1, -1 }, { 3, 1, 11, 3, 11, 10, 7, 4, 8, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 10, 1, 10, 4, 1, 4, 0, 7, 4, 10, -1, -1, -1, -1 }, { 4, 8, 7, 9, 10, 0, 9, 11, 10, 10, 3, 0, -1, -1, -1, -1 }, { 4, 10, 7, 4, 9, 10, 9, 11, 10, -1, -1, -1, -1, -1, -1, -1 }, { 9, 4, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 4, 5, 0, 3, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 4, 5, 1, 0, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 8, 4, 5, 8, 5, 3, 3, 5, 1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 2, 9, 4, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 3, 8, 0, 1, 11, 2, 4, 5, 9, -1, -1, -1, -1, -1, -1, -1 }, { 5, 11, 2, 5, 2, 4, 4, 2, 0, -1, -1, -1, -1, -1, -1, -1 }, { 2, 5, 11, 3, 5, 2, 3, 4, 5, 3, 8, 4, -1, -1, -1, -1 }, { 9, 4, 5, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 2, 10, 0, 10, 8, 4, 5, 9, -1, -1, -1, -1, -1, -1, -1 }, { 0, 4, 5, 0, 5, 1, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1 }, { 2, 5, 1, 2, 8, 5, 2, 10, 8, 4, 5, 8, -1, -1, -1, -1 }, { 11, 10, 3, 11, 3, 1, 9, 4, 5, -1, -1, -1, -1, -1, -1, -1 }, { 4, 5, 9, 0, 1, 8, 8, 1, 11, 8, 11, 10, -1, -1, -1, -1 }, { 5, 0, 4, 5, 10, 0, 5, 11, 10, 10, 3, 0, -1, -1, -1, -1 }, { 5, 8, 4, 5, 11, 8, 11, 10, 8, -1, -1, -1, -1, -1, -1, -1 }, { 9, 8, 7, 5, 9, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 0, 3, 9, 3, 5, 5, 3, 7, -1, -1, -1, -1, -1, -1, -1 }, { 0, 8, 7, 0, 7, 1, 1, 7, 5, -1, -1, -1, -1, -1, -1, -1 }, { 1, 3, 5, 3, 7, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 8, 7, 9, 7, 5, 11, 2, 1, -1, -1, -1, -1, -1, -1, -1 }, { 11, 2, 1, 9, 0, 5, 5, 0, 3, 5, 3, 7, -1, -1, -1, -1 }, { 8, 2, 0, 8, 5, 2, 8, 7, 5, 11, 2, 5, -1, -1, -1, -1 }, { 2, 5, 11, 2, 3, 5, 3, 7, 5, -1, -1, -1, -1, -1, -1, -1 }, { 7, 5, 9, 7, 9, 8, 3, 2, 10, -1, -1, -1, -1, -1, -1, -1 }, { 9, 7, 5, 9, 2, 7, 9, 0, 2, 2, 10, 7, -1, -1, -1, -1 }, { 2, 10, 3, 0, 8, 1, 1, 8, 7, 1, 7, 5, -1, -1, -1, -1 }, { 10, 1, 2, 10, 7, 1, 7, 5, 1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 8, 5, 8, 7, 5, 11, 3, 1, 11, 10, 3, -1, -1, -1, -1 }, { 5, 0, 7, 5, 9, 0, 7, 0, 10, 1, 11, 0, 10, 0, 11, -1 }, { 10, 0, 11, 10, 3, 0, 11, 0, 5, 8, 7, 0, 5, 0, 7, -1 }, { 10, 5, 11, 7, 5, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 11, 5, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 8, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 1, 0, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 3, 8, 1, 8, 9, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1 }, { 1, 5, 6, 2, 1, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 5, 6, 1, 6, 2, 3, 8, 0, -1, -1, -1, -1, -1, -1, -1 }, { 9, 5, 6, 9, 6, 0, 0, 6, 2, -1, -1, -1, -1, -1, -1, -1 }, { 5, 8, 9, 5, 2, 8, 5, 6, 2, 3, 8, 2, -1, -1, -1, -1 }, { 2, 10, 3, 11, 5, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 10, 8, 0, 10, 0, 2, 11, 5, 6, -1, -1, -1, -1, -1, -1, -1 }, { 0, 9, 1, 2, 10, 3, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1 }, { 5, 6, 11, 1, 2, 9, 9, 2, 10, 9, 10, 8, -1, -1, -1, -1 }, { 6, 10, 3, 6, 3, 5, 5, 3, 1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 10, 8, 0, 5, 10, 0, 1, 5, 5, 6, 10, -1, -1, -1, -1 }, { 3, 6, 10, 0, 6, 3, 0, 5, 6, 0, 9, 5, -1, -1, -1, -1 }, { 6, 9, 5, 6, 10, 9, 10, 8, 9, -1, -1, -1, -1, -1, -1, -1 }, { 5, 6, 11, 4, 8, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 0, 3, 4, 3, 7, 6, 11, 5, -1, -1, -1, -1, -1, -1, -1 }, { 1, 0, 9, 5, 6, 11, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1 }, { 11, 5, 6, 1, 7, 9, 1, 3, 7, 7, 4, 9, -1, -1, -1, -1 }, { 6, 2, 1, 6, 1, 5, 4, 8, 7, -1, -1, -1, -1, -1, -1, -1 }, { 1, 5, 2, 5, 6, 2, 3, 4, 0, 3, 7, 4, -1, -1, -1, -1 }, { 8, 7, 4, 9, 5, 0, 0, 5, 6, 0, 6, 2, -1, -1, -1, -1 }, { 7, 9, 3, 7, 4, 9, 3, 9, 2, 5, 6, 9, 2, 9, 6, -1 }, { 3, 2, 10, 7, 4, 8, 11, 5, 6, -1, -1, -1, -1, -1, -1, -1 }, { 5, 6, 11, 4, 2, 7, 4, 0, 2, 2, 10, 7, -1, -1, -1, -1 }, { 0, 9, 1, 4, 8, 7, 2, 10, 3, 5, 6, 11, -1, -1, -1, -1 }, { 9, 1, 2, 9, 2, 10, 9, 10, 4, 7, 4, 10, 5, 6, 11, -1 }, { 8, 7, 4, 3, 5, 10, 3, 1, 5, 5, 6, 10, -1, -1, -1, -1 }, { 5, 10, 1, 5, 6, 10, 1, 10, 0, 7, 4, 10, 0, 10, 4, -1 }, { 0, 9, 5, 0, 5, 6, 0, 6, 3, 10, 3, 6, 8, 7, 4, -1 }, { 6, 9, 5, 6, 10, 9, 4, 9, 7, 7, 9, 10, -1, -1, -1, -1 }, { 11, 9, 4, 6, 11, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 6, 11, 4, 11, 9, 0, 3, 8, -1, -1, -1, -1, -1, -1, -1 }, { 11, 1, 0, 11, 0, 6, 6, 0, 4, -1, -1, -1, -1, -1, -1, -1 }, { 8, 1, 3, 8, 6, 1, 8, 4, 6, 6, 11, 1, -1, -1, -1, -1 }, { 1, 9, 4, 1, 4, 2, 2, 4, 6, -1, -1, -1, -1, -1, -1, -1 }, { 3, 8, 0, 1, 9, 2, 2, 9, 4, 2, 4, 6, -1, -1, -1, -1 }, { 0, 4, 2, 4, 6, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 8, 2, 3, 8, 4, 2, 4, 6, 2, -1, -1, -1, -1, -1, -1, -1 }, { 11, 9, 4, 11, 4, 6, 10, 3, 2, -1, -1, -1, -1, -1, -1, -1 }, { 0, 2, 8, 2, 10, 8, 4, 11, 9, 4, 6, 11, -1, -1, -1, -1 }, { 3, 2, 10, 0, 6, 1, 0, 4, 6, 6, 11, 1, -1, -1, -1, -1 }, { 6, 1, 4, 6, 11, 1, 4, 1, 8, 2, 10, 1, 8, 1, 10, -1 }, { 9, 4, 6, 9, 6, 3, 9, 3, 1, 10, 3, 6, -1, -1, -1, -1 }, { 8, 1, 10, 8, 0, 1, 10, 1, 6, 9, 4, 1, 6, 1, 4, -1 }, { 3, 6, 10, 3, 0, 6, 0, 4, 6, -1, -1, -1, -1, -1, -1, -1 }, { 6, 8, 4, 10, 8, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 7, 6, 11, 7, 11, 8, 8, 11, 9, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 7, 0, 7, 11, 0, 11, 9, 6, 11, 7, -1, -1, -1, -1 }, { 11, 7, 6, 1, 7, 11, 1, 8, 7, 1, 0, 8, -1, -1, -1, -1 }, { 11, 7, 6, 11, 1, 7, 1, 3, 7, -1, -1, -1, -1, -1, -1, -1 }, { 1, 6, 2, 1, 8, 6, 1, 9, 8, 8, 7, 6, -1, -1, -1, -1 }, { 2, 9, 6, 2, 1, 9, 6, 9, 7, 0, 3, 9, 7, 9, 3, -1 }, { 7, 0, 8, 7, 6, 0, 6, 2, 0, -1, -1, -1, -1, -1, -1, -1 }, { 7, 2, 3, 6, 2, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 2, 10, 3, 11, 8, 6, 11, 9, 8, 8, 7, 6, -1, -1, -1, -1 }, { 2, 7, 0, 2, 10, 7, 0, 7, 9, 6, 11, 7, 9, 7, 11, -1 }, { 1, 0, 8, 1, 8, 7, 1, 7, 11, 6, 11, 7, 2, 10, 3, -1 }, { 10, 1, 2, 10, 7, 1, 11, 1, 6, 6, 1, 7, -1, -1, -1, -1 }, { 8, 6, 9, 8, 7, 6, 9, 6, 1, 10, 3, 6, 1, 6, 3, -1 }, { 0, 1, 9, 10, 7, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 7, 0, 8, 7, 6, 0, 3, 0, 10, 10, 0, 6, -1, -1, -1, -1 }, { 7, 6, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 7, 10, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 3, 8, 0, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 9, 1, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 8, 9, 1, 8, 1, 3, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1 }, { 11, 2, 1, 6, 7, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 2, 3, 8, 0, 6, 7, 10, -1, -1, -1, -1, -1, -1, -1 }, { 2, 0, 9, 2, 9, 11, 6, 7, 10, -1, -1, -1, -1, -1, -1, -1 }, { 6, 7, 10, 2, 3, 11, 11, 3, 8, 11, 8, 9, -1, -1, -1, -1 }, { 7, 3, 2, 6, 7, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 7, 8, 0, 7, 0, 6, 6, 0, 2, -1, -1, -1, -1, -1, -1, -1 }, { 2, 6, 7, 2, 7, 3, 0, 9, 1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 2, 6, 1, 6, 8, 1, 8, 9, 8, 6, 7, -1, -1, -1, -1 }, { 11, 6, 7, 11, 7, 1, 1, 7, 3, -1, -1, -1, -1, -1, -1, -1 }, { 11, 6, 7, 1, 11, 7, 1, 7, 8, 1, 8, 0, -1, -1, -1, -1 }, { 0, 7, 3, 0, 11, 7, 0, 9, 11, 6, 7, 11, -1, -1, -1, -1 }, { 7, 11, 6, 7, 8, 11, 8, 9, 11, -1, -1, -1, -1, -1, -1, -1 }, { 6, 4, 8, 10, 6, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 3, 10, 6, 3, 6, 0, 0, 6, 4, -1, -1, -1, -1, -1, -1, -1 }, { 8, 10, 6, 8, 6, 4, 9, 1, 0, -1, -1, -1, -1, -1, -1, -1 }, { 9, 6, 4, 9, 3, 6, 9, 1, 3, 10, 6, 3, -1, -1, -1, -1 }, { 6, 4, 8, 6, 8, 10, 2, 1, 11, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 2, 3, 10, 0, 0, 10, 6, 0, 6, 4, -1, -1, -1, -1 }, { 4, 8, 10, 4, 10, 6, 0, 9, 2, 2, 9, 11, -1, -1, -1, -1 }, { 11, 3, 9, 11, 2, 3, 9, 3, 4, 10, 6, 3, 4, 3, 6, -1 }, { 8, 3, 2, 8, 2, 4, 4, 2, 6, -1, -1, -1, -1, -1, -1, -1 }, { 0, 2, 4, 4, 2, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 0, 9, 2, 4, 3, 2, 6, 4, 4, 8, 3, -1, -1, -1, -1 }, { 1, 4, 9, 1, 2, 4, 2, 6, 4, -1, -1, -1, -1, -1, -1, -1 }, { 8, 3, 1, 8, 1, 6, 8, 6, 4, 6, 1, 11, -1, -1, -1, -1 }, { 11, 0, 1, 11, 6, 0, 6, 4, 0, -1, -1, -1, -1, -1, -1, -1 }, { 4, 3, 6, 4, 8, 3, 6, 3, 11, 0, 9, 3, 11, 3, 9, -1 }, { 11, 4, 9, 6, 4, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 5, 9, 7, 10, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 8, 4, 5, 9, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1 }, { 5, 1, 0, 5, 0, 4, 7, 10, 6, -1, -1, -1, -1, -1, -1, -1 }, { 10, 6, 7, 8, 4, 3, 3, 4, 5, 3, 5, 1, -1, -1, -1, -1 }, { 9, 4, 5, 11, 2, 1, 7, 10, 6, -1, -1, -1, -1, -1, -1, -1 }, { 6, 7, 10, 1, 11, 2, 0, 3, 8, 4, 5, 9, -1, -1, -1, -1 }, { 7, 10, 6, 5, 11, 4, 4, 11, 2, 4, 2, 0, -1, -1, -1, -1 }, { 3, 8, 4, 3, 4, 5, 3, 5, 2, 11, 2, 5, 10, 6, 7, -1 }, { 7, 3, 2, 7, 2, 6, 5, 9, 4, -1, -1, -1, -1, -1, -1, -1 }, { 9, 4, 5, 0, 6, 8, 0, 2, 6, 6, 7, 8, -1, -1, -1, -1 }, { 3, 2, 6, 3, 6, 7, 1, 0, 5, 5, 0, 4, -1, -1, -1, -1 }, { 6, 8, 2, 6, 7, 8, 2, 8, 1, 4, 5, 8, 1, 8, 5, -1 }, { 9, 4, 5, 11, 6, 1, 1, 6, 7, 1, 7, 3, -1, -1, -1, -1 }, { 1, 11, 6, 1, 6, 7, 1, 7, 0, 8, 0, 7, 9, 4, 5, -1 }, { 4, 11, 0, 4, 5, 11, 0, 11, 3, 6, 7, 11, 3, 11, 7, -1 }, { 7, 11, 6, 7, 8, 11, 5, 11, 4, 4, 11, 8, -1, -1, -1, -1 }, { 6, 5, 9, 6, 9, 10, 10, 9, 8, -1, -1, -1, -1, -1, -1, -1 }, { 3, 10, 6, 0, 3, 6, 0, 6, 5, 0, 5, 9, -1, -1, -1, -1 }, { 0, 8, 10, 0, 10, 5, 0, 5, 1, 5, 10, 6, -1, -1, -1, -1 }, { 6, 3, 10, 6, 5, 3, 5, 1, 3, -1, -1, -1, -1, -1, -1, -1 }, { 1, 11, 2, 9, 10, 5, 9, 8, 10, 10, 6, 5, -1, -1, -1, -1 }, { 0, 3, 10, 0, 10, 6, 0, 6, 9, 5, 9, 6, 1, 11, 2, -1 }, { 10, 5, 8, 10, 6, 5, 8, 5, 0, 11, 2, 5, 0, 5, 2, -1 }, { 6, 3, 10, 6, 5, 3, 2, 3, 11, 11, 3, 5, -1, -1, -1, -1 }, { 5, 9, 8, 5, 8, 2, 5, 2, 6, 3, 2, 8, -1, -1, -1, -1 }, { 9, 6, 5, 9, 0, 6, 0, 2, 6, -1, -1, -1, -1, -1, -1, -1 }, { 1, 8, 5, 1, 0, 8, 5, 8, 6, 3, 2, 8, 6, 8, 2, -1 }, { 1, 6, 5, 2, 6, 1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 6, 3, 1, 11, 6, 3, 6, 8, 5, 9, 6, 8, 6, 9, -1 }, { 11, 0, 1, 11, 6, 0, 9, 0, 5, 5, 0, 6, -1, -1, -1, -1 }, { 0, 8, 3, 5, 11, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 11, 6, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 10, 11, 5, 7, 10, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 10, 11, 5, 10, 5, 7, 8, 0, 3, -1, -1, -1, -1, -1, -1, -1 }, { 5, 7, 10, 5, 10, 11, 1, 0, 9, -1, -1, -1, -1, -1, -1, -1 }, { 11, 5, 7, 11, 7, 10, 9, 1, 8, 8, 1, 3, -1, -1, -1, -1 }, { 10, 2, 1, 10, 1, 7, 7, 1, 5, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 8, 1, 7, 2, 1, 5, 7, 7, 10, 2, -1, -1, -1, -1 }, { 9, 5, 7, 9, 7, 2, 9, 2, 0, 2, 7, 10, -1, -1, -1, -1 }, { 7, 2, 5, 7, 10, 2, 5, 2, 9, 3, 8, 2, 9, 2, 8, -1 }, { 2, 11, 5, 2, 5, 3, 3, 5, 7, -1, -1, -1, -1, -1, -1, -1 }, { 8, 0, 2, 8, 2, 5, 8, 5, 7, 11, 5, 2, -1, -1, -1, -1 }, { 9, 1, 0, 5, 3, 11, 5, 7, 3, 3, 2, 11, -1, -1, -1, -1 }, { 9, 2, 8, 9, 1, 2, 8, 2, 7, 11, 5, 2, 7, 2, 5, -1 }, { 1, 5, 3, 3, 5, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 7, 8, 0, 1, 7, 1, 5, 7, -1, -1, -1, -1, -1, -1, -1 }, { 9, 3, 0, 9, 5, 3, 5, 7, 3, -1, -1, -1, -1, -1, -1, -1 }, { 9, 7, 8, 5, 7, 9, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 5, 4, 8, 5, 8, 11, 11, 8, 10, -1, -1, -1, -1, -1, -1, -1 }, { 5, 4, 0, 5, 0, 10, 5, 10, 11, 10, 0, 3, -1, -1, -1, -1 }, { 0, 9, 1, 8, 11, 4, 8, 10, 11, 11, 5, 4, -1, -1, -1, -1 }, { 11, 4, 10, 11, 5, 4, 10, 4, 3, 9, 1, 4, 3, 4, 1, -1 }, { 2, 1, 5, 2, 5, 8, 2, 8, 10, 4, 8, 5, -1, -1, -1, -1 }, { 0, 10, 4, 0, 3, 10, 4, 10, 5, 2, 1, 10, 5, 10, 1, -1 }, { 0, 5, 2, 0, 9, 5, 2, 5, 10, 4, 8, 5, 10, 5, 8, -1 }, { 9, 5, 4, 2, 3, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 2, 11, 5, 3, 2, 5, 3, 5, 4, 3, 4, 8, -1, -1, -1, -1 }, { 5, 2, 11, 5, 4, 2, 4, 0, 2, -1, -1, -1, -1, -1, -1, -1 }, { 3, 2, 11, 3, 11, 5, 3, 5, 8, 4, 8, 5, 0, 9, 1, -1 }, { 5, 2, 11, 5, 4, 2, 1, 2, 9, 9, 2, 4, -1, -1, -1, -1 }, { 8, 5, 4, 8, 3, 5, 3, 1, 5, -1, -1, -1, -1, -1, -1, -1 }, { 0, 5, 4, 1, 5, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 8, 5, 4, 8, 3, 5, 9, 5, 0, 0, 5, 3, -1, -1, -1, -1 }, { 9, 5, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 7, 10, 4, 10, 9, 9, 10, 11, -1, -1, -1, -1, -1, -1, -1 }, { 0, 3, 8, 4, 7, 9, 9, 7, 10, 9, 10, 11, -1, -1, -1, -1 }, { 1, 10, 11, 1, 4, 10, 1, 0, 4, 7, 10, 4, -1, -1, -1, -1 }, { 3, 4, 1, 3, 8, 4, 1, 4, 11, 7, 10, 4, 11, 4, 10, -1 }, { 4, 7, 10, 9, 4, 10, 9, 10, 2, 9, 2, 1, -1, -1, -1, -1 }, { 9, 4, 7, 9, 7, 10, 9, 10, 1, 2, 1, 10, 0, 3, 8, -1 }, { 10, 4, 7, 10, 2, 4, 2, 0, 4, -1, -1, -1, -1, -1, -1, -1 }, { 10, 4, 7, 10, 2, 4, 8, 4, 3, 3, 4, 2, -1, -1, -1, -1 }, { 2, 11, 9, 2, 9, 7, 2, 7, 3, 7, 9, 4, -1, -1, -1, -1 }, { 9, 7, 11, 9, 4, 7, 11, 7, 2, 8, 0, 7, 2, 7, 0, -1 }, { 3, 11, 7, 3, 2, 11, 7, 11, 4, 1, 0, 11, 4, 11, 0, -1 }, { 1, 2, 11, 8, 4, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 1, 9, 4, 7, 1, 7, 3, 1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 1, 9, 4, 7, 1, 0, 1, 8, 8, 1, 7, -1, -1, -1, -1 }, { 4, 3, 0, 7, 3, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 4, 7, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 9, 8, 11, 11, 8, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 3, 9, 0, 3, 10, 9, 10, 11, 9, -1, -1, -1, -1, -1, -1, -1 }, { 0, 11, 1, 0, 8, 11, 8, 10, 11, -1, -1, -1, -1, -1, -1, -1 }, { 3, 11, 1, 10, 11, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 10, 2, 1, 9, 10, 9, 8, 10, -1, -1, -1, -1, -1, -1, -1 }, { 3, 9, 0, 3, 10, 9, 1, 9, 2, 2, 9, 10, -1, -1, -1, -1 }, { 0, 10, 2, 8, 10, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 3, 10, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 2, 8, 3, 2, 11, 8, 11, 9, 8, -1, -1, -1, -1, -1, -1, -1 }, { 9, 2, 11, 0, 2, 9, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 2, 8, 3, 2, 11, 8, 0, 8, 1, 1, 8, 11, -1, -1, -1, -1 }, { 1, 2, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 1, 8, 3, 9, 8, 1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 1, 9, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { 0, 8, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 }, { -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1 } }; const unsigned char MeshGenerator::m_edgeVertices[12][2] = { { 0, 1 }, { 1, 2 }, { 3, 2 }, { 0, 3 }, { 4, 5 }, { 5, 6 }, { 7, 6 }, { 4, 7 }, { 0, 4 }, { 1, 5 }, { 3, 7 }, { 2, 6 } }; } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/meshgenerator.h000066400000000000000000000202771516317240700254510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MESHGENERATOR_H #define AVOGADRO_QTGUI_MESHGENERATOR_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Cube; class Mesh; } // namespace Core namespace QtGui { /** * @class MeshGenerator meshgenerator.h * @brief Class that can generate Mesh objects from Cube objects. * @author Marcus D. Hanwell * @author Perminder Singh * * This class implements a method of generating an isosurface Mesh from * volumetric data using the marching cubes algorithm. In the case of the * MeshGenerator class it expects a Cube as an input and an isosurface value. * The tables and the basic code is taken from the public domain code written * by Cory Bloyd (marchingsource.cpp) and available at, * http://local.wasp.uwa.edu.au/~pbourke/geometry/polygonise/ * * You must first initialize the class and then call run() to actually * polygonize the isosurface. Connect to the classes finished() signal to * do something once the polygonization is complete. */ class AVOGADROQTGUI_EXPORT MeshGenerator : public QThread { Q_OBJECT public: /** * Constructor. */ explicit MeshGenerator(QObject* parent = nullptr); /** * Constructor. Can be used to initialize the MeshGenerator. * @param cube The source Cube with the volumetric data. * @param mesh The Mesh that will hold the isosurface. * @param iso The iso value of the surface. * @param passes Number of smoothing passes to perform. */ MeshGenerator(const Core::Cube* cube, Core::Mesh* mesh, float iso, int passes = 6, bool reverse = false, QObject* parent = nullptr); /** * Destructor. */ ~MeshGenerator() override; /** * Initialization function, set up the MeshGenerator ready to find an * isosurface of the supplied Cube. * @param cube The source Cube with the volumetric data. * @param mesh The Mesh that will hold the isosurface. * @param iso The iso value of the surface. * @param passes Number of smoothing passes to perform. */ bool initialize(const Core::Cube* cube, Core::Mesh* mesh, float iso, int passes = 6, bool reverse = false); /** * Use this function to begin Mesh generation. Uses an asynchronous thread, * and so avoids locking the user interface while the isosurface is found. */ void run() override; /** * It holds the range and starting offsets of isosurface-intersected * edges along the x, y, and z axes for each grid cell. */ struct gridEdge { gridEdge() : xl(0), xr(0), xstart(0), ystart(0), zstart(0) {} // trim values // set on pass 1 int xl; int xr; // modified on pass 2 // set on pass 3 int xstart; int ystart; int zstart; }; /** * Handles duplicate vertices (Not implemented). Placeholder for future * functionality. */ unsigned long duplicate(const Vector3i& c, const Vector3f& pos); /** * @name Flying Edges * Methods to implement the "flying edges" method for isosurface mesh * generation. Flying edges: A high-performance scalable isocontouring * algorithm Schroeder; Maynard; Geveci; 2015 IEEE 5th Symposium on Large Data * Analysis and Visualization (LDAV) * [10.1109/LDAV.2015.7348069](https://doi.org/10.1109/LDAV.2015.7348069) * Alternate (non-VTK) implementation at * https://github.com/sandialabs/miniIsosurface/blob/master/flyingEdges/ * @{ */ /** * Pass 1 for flying edges. Pass1 detects and records * where the isosurface intersects each row of grid edges * along the x-axis. */ void FlyingEdgesAlgorithmPass1(); /** * Pass2 assigns case identifiers to each grid cell based on * intersected edges and tallies the number of triangles needed * for mesh construction. */ void FlyingEdgesAlgorithmPass2(); /** * Pass3 computes cumulative offsets for triangles * and vertices and allocates memory for the mesh structures. */ void FlyingEdgesAlgorithmPass3(); /** * Calculates normals, triangles and vertices. */ void FlyingEdgesAlgorithmPass4(); /**@}*/ /** * @return The Cube being used by the class. */ const Core::Cube* cube() const { return m_cube; } /** * Determines the x-range (xl to xr) where isosurface intersections * occur, optimizing calculations within this range. */ inline void calcTrimValues(int& xl, int& xr, int const& j, int const& k) const; /** * Indicates which edges intersects the isosurface. */ inline unsigned char calcCubeCase(unsigned char const& ec0, unsigned char const& ec1, unsigned char const& ec2, unsigned char const& ec3) const; /** * @return The Mesh being generated by the class. */ Core::Mesh* mesh() const { return m_mesh; } /** * Clears the contents of the MeshGenerator. */ void clear(); /** * @return The minimum value of the progress value. */ int progressMinimum() { return m_progmin; } /** * @return The maximum value of the progress value. */ int progressMaximum() { return m_progmax; } signals: /** * The current value of the calculation's progress. */ void progressValueChanged(int); protected: /** * isCutEdge checks whether the grid edge at position (i, j, k) is * intersected by the isosurface based on edge case conditions. * @return Boolean if it's intersected or not. */ bool isCutEdge(int const& i, int const& j, int const& k) const; /** * It computes the 3D intersection point on a cube edge via interpolation. */ inline std::array interpolateOnCube( std::array, 8> const& pts, std::array const& isovals, unsigned char const& edge) const; /** * It linearly interpolates between two 3D points, a and b, using * the given weight to determine the intermediate position. */ inline std::array interpolate(std::array const& a, std::array const& b, float const& weight) const; /** * calcCaseEdge determines an edge case code (0–3) based on two boolean edge * comparisons. */ inline unsigned char calcCaseEdge(bool const& prevEdge, bool const& currEdge) const; float m_iso; /** The value of the isosurface. */ int m_passes; /** Number of smoothing passes to perform. */ bool m_reverseWinding; /** Whether the winding and normals are reversed. */ const Core::Cube* m_cube; /** The cube that we are generating a Mesh from. */ Core::Mesh* m_mesh; /** The mesh that is being generated. */ Vector3f m_stepSize; /** The step size vector for cube. */ Vector3f m_min; /** The minimum point in the cube. */ Vector3i m_dim; /** The dimensions of the cube. */ Core::Array m_normals, m_vertices; std::vector gridEdges; // size (m_dim.y() * m_dim.z()) std::vector cubeCases; // size ((m_dim.x() - 1) * (m_dim.y() - 1) * (m_dim.z() - 1)) std::vector triCounter; // size ((m_dim.y() - 1) * (m_dim.z() - 1)) std::vector edgeCases; // size ((m_dim.x() - 1) * (m_dim.y()) * (m_dim.z())) Core::Array m_triangles; // triangles of a mesh int m_progmin; int m_progmax; /** * These are the lookup tables for flying edges. * Reference : * https://github.com/sandialabs/miniIsosurface/blob/master/flyingEdges/util/MarchingCubesTables.h */ static const unsigned char m_numTris[256]; static const bool m_isCut[256][12]; static const signed char m_caseTriangles[256][16]; static const unsigned char m_edgeVertices[12][2]; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_MESHGENERATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/molecule.cpp000066400000000000000000000262251516317240700247450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecule.h" #include "rwmolecule.h" #include // for HTML-formatted formulas #include namespace Avogadro::QtGui { using std::swap; Molecule::Molecule(QObject* p) : QObject(p), Core::Molecule(), m_undoMolecule(new RWMolecule(*this, this)) { m_undoMolecule->setInteractive(false); } Molecule::Molecule(const Molecule& other) : QObject(), Core::Molecule(other), m_undoMolecule(new RWMolecule(*this, this)) { m_undoMolecule->setInteractive(false); // Now assign the unique ids for (Index i = 0; i < atomCount(); i++) m_atomUniqueIds.push_back(i); for (Index i = 0; i < bondCount(); i++) m_bondUniqueIds.push_back(i); } Molecule::Molecule(const Core::Molecule& other) : QObject(), Core::Molecule(other) { // Now assign the unique ids for (Index i = 0; i < atomCount(); i++) m_atomUniqueIds.push_back(i); for (Index i = 0; i < bondCount(); i++) m_bondUniqueIds.push_back(i); } Molecule& Molecule::operator=(const Molecule& other) { // Call the base classes assignment operator Core::Molecule::operator=(other); // Copy over the unique ids m_atomUniqueIds = other.m_atomUniqueIds; m_bondUniqueIds = other.m_bondUniqueIds; return *this; } Molecule& Molecule::operator=(const Core::Molecule& other) { // Call the base classes assignment operator Core::Molecule::operator=(other); // Reset the unique ids. m_atomUniqueIds.clear(); for (Index i = 0; i < atomCount(); ++i) m_atomUniqueIds.push_back(i); m_bondUniqueIds.clear(); for (Index i = 0; i < bondCount(); ++i) m_bondUniqueIds.push_back(i); return *this; } Molecule::~Molecule() {} Molecule::AtomType Molecule::addAtom(unsigned char number) { m_atomUniqueIds.push_back(atomCount()); AtomType a = Core::Molecule::addAtom(number); return a; } Molecule::AtomType Molecule::addAtom(unsigned char number, Index uniqueId) { if (uniqueId >= static_cast(m_atomUniqueIds.size()) || m_atomUniqueIds[uniqueId] != MaxIndex) { return AtomType(); } m_atomUniqueIds[uniqueId] = atomCount(); AtomType a = Core::Molecule::addAtom(number); return a; } Molecule::AtomType Molecule::addAtom(unsigned char number, Vector3 position3d, Index uniqueId) { if (uniqueId >= static_cast(m_atomUniqueIds.size())) { // Add atom using our own addAtom (which handles unique IDs) // then set the position auto atom = Molecule::addAtom(number); if (atom.isValid()) atom.setPosition3d(position3d); return atom; } else { auto atom = Molecule::addAtom(number, uniqueId); if (atom.isValid()) atom.setPosition3d(position3d); return atom; } } bool Molecule::removeAtom(Index index) { if (index >= atomCount()) return false; Index uniqueId = findAtomUniqueId(index); if (uniqueId == MaxIndex) return false; // Unique ID of an atom that was removed: m_atomUniqueIds[uniqueId] = MaxIndex; auto newSize = static_cast(atomCount() - 1); // Before removing the atom we must first remove any bonds to it. Core::Molecule::removeAtom(index); if (index != newSize) { // movedAtomUID uniqueId = findAtomUniqueId(newSize); assert(uniqueId != MaxIndex); m_atomUniqueIds[uniqueId] = index; } return true; } bool Molecule::removeAtom(const AtomType& atom_) { return removeAtom(atom_.index()); } Molecule::AtomType Molecule::atomByUniqueId(Index uniqueId) { if (uniqueId >= static_cast(m_atomUniqueIds.size()) || m_atomUniqueIds[uniqueId] == MaxIndex) { return AtomType(); } else { return AtomType(this, m_atomUniqueIds[uniqueId]); } } Index Molecule::atomUniqueId(const AtomType& a) const { if (a.molecule() != this) return MaxIndex; return findAtomUniqueId(a.index()); } Index Molecule::atomUniqueId(Index a) const { return findAtomUniqueId(a); } Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, unsigned char order) { m_bondUniqueIds.push_back(bondCount()); assert(a.isValid() && a.molecule() == this); assert(b.isValid() && b.molecule() == this); BondType bond_ = Core::Molecule::addBond(a.index(), b.index(), order); return bond_; } Molecule::BondType Molecule::addBond(Avogadro::Index atomId1, Avogadro::Index atomId2, unsigned char order) { m_bondUniqueIds.push_back(bondCount()); return Core::Molecule::addBond(atomId1, atomId2, order); } void Molecule::addBonds(const Core::Array>& bonds, const Core::Array& orders) { assert(orders.size() == bonds.size()); for (Index i = 0; i < orders.size(); ++i) { addBond(bonds[i].first, bonds[i].second, orders[i]); } } void Molecule::swapBond(Index a, Index b) { Index uniqueA = findBondUniqueId(a); Index uniqueB = findBondUniqueId(b); assert(uniqueA != MaxIndex && uniqueB != MaxIndex); swap(m_bondUniqueIds[uniqueA], m_bondUniqueIds[uniqueB]); Core::Molecule::swapBond(a, b); } void Molecule::swapAtom(Index a, Index b) { if (a == b) { return; } Index uniqueA = findAtomUniqueId(a); Index uniqueB = findAtomUniqueId(b); assert(uniqueA != MaxIndex && uniqueB != MaxIndex); swap(m_atomUniqueIds[uniqueA], m_atomUniqueIds[uniqueB]); Core::Molecule::swapAtom(a, b); } Molecule::BondType Molecule::addBond(Index a, Index b, unsigned char order, Index uniqueId) { if (uniqueId >= static_cast(m_bondUniqueIds.size()) || m_bondUniqueIds[uniqueId] != MaxIndex) { return BondType(); } m_bondUniqueIds[uniqueId] = bondCount(); return Core::Molecule::addBond(a, b, order); } Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, unsigned char order, Index uniqueId) { if (uniqueId >= static_cast(m_bondUniqueIds.size()) || m_bondUniqueIds[uniqueId] != MaxIndex) { return BondType(); } m_bondUniqueIds[uniqueId] = bondCount(); return Core::Molecule::addBond(a, b, order); } bool Molecule::removeBond(Index index) { if (index >= bondCount()) return false; Index uniqueId = findBondUniqueId(index); if (uniqueId == MaxIndex) return false; m_bondUniqueIds[uniqueId] = MaxIndex; // Unique ID of a bond that was removed. auto newSize = static_cast(bondCount() - 1); if (index != newSize) { Index movedBondUID = findBondUniqueId(newSize); assert(movedBondUID != MaxIndex); m_bondUniqueIds[movedBondUID] = index; } Core::Molecule::removeBond(index); return true; } bool Molecule::removeBond(const BondType& bond_) { return removeBond(bond_.index()); } bool Molecule::removeBond(const AtomType& a, const AtomType& b) { return removeBond(bond(a, b).index()); } bool Molecule::removeBond(Index a, Index b) { return removeBond(bond(a, b).index()); } Molecule::BondType Molecule::bondByUniqueId(Index uniqueId) { if (uniqueId >= static_cast(m_bondUniqueIds.size()) || m_bondUniqueIds[uniqueId] == MaxIndex) { return BondType(); } else { return BondType(this, static_cast(m_bondUniqueIds[uniqueId])); } } Index Molecule::bondUniqueId(const BondType& b) const { if (b.molecule() != this) return MaxIndex; return findBondUniqueId(b.index()); } Index Molecule::bondUniqueId(Index b) const { return findBondUniqueId(b); } void Molecule::emitChanged(unsigned int change) { if (change != NoChange) emit changed(change); } void Molecule::emitUpdate() const { emit update(); } Index Molecule::findAtomUniqueId(Index index) const { for (Index i = 0; i < static_cast(m_atomUniqueIds.size()); ++i) { if (m_atomUniqueIds[i] == index) return i; } return MaxIndex; } Index Molecule::findBondUniqueId(Index index) const { for (Index i = 0; i < static_cast(m_bondUniqueIds.size()); ++i) if (m_bondUniqueIds[i] == index) return i; return MaxIndex; } RWMolecule* Molecule::undoMolecule() { return m_undoMolecule; } QString Molecule::formattedFormula() const { // Get composition from core (handles isotopes and unit cell fractions) std::map componentsCount = formulaComposition(); QString formula; // loop through the components // if carbon is present, it goes first // if carbon is present, hydrogen is next // then alphabetical // and any components with a number in front get a superscript std::map::iterator iter; iter = componentsCount.find("C"); if (iter != componentsCount.end()) { formula += "C"; if (iter->second > 1) formula += QString("%1").arg(iter->second); componentsCount.erase(iter); // hydrogen goes next if carbon is present iter = componentsCount.find("H"); if (iter != componentsCount.end()) { formula += "H"; if (iter->second > 1) formula += QString("%1").arg(iter->second); componentsCount.erase(iter); } // also deuterium and tritium iter = componentsCount.find("D"); if (iter != componentsCount.end()) { formula += "D"; if (iter->second > 1) formula += QString("%1").arg(iter->second); componentsCount.erase(iter); } iter = componentsCount.find("T"); if (iter != componentsCount.end()) { formula += "T"; if (iter->second > 1) formula += QString("%1").arg(iter->second); componentsCount.erase(iter); } } for (iter = componentsCount.begin(); iter != componentsCount.end(); ++iter) { // check if iter->first starts with a digit if (iter->first[0] >= '0' && iter->first[0] <= '9') { // get the digits for a superscript QString digits; for (unsigned int i = 0; i < iter->first.length(); ++i) { if (iter->first[i] >= '0' && iter->first[i] <= '9') digits += iter->first[i]; } formula += QString("%1").arg(digits); // take the substring from the digit to the end formula += iter->first.substr(digits.length()); } else formula += iter->first; if (iter->second > 1) formula += QString("%1").arg(iter->second); } // add total charge as a superscript int charge = totalCharge(); if (charge == -1) formula += QString("-"); else if (charge < -1) formula += QString("%1").arg(charge); else if (charge == 1) formula += QString("+"); else if (charge > 1) formula += QString("+%1").arg(charge); // add doublet or triplet for spin multiplicity as radical dot int spinMultiplicity = totalSpinMultiplicity(); if (spinMultiplicity == 2) formula += "•"; else if (spinMultiplicity == 3) formula += "••"; return formula; } bool Molecule::isInteractive() const { if (m_undoMolecule == nullptr) return false; return m_undoMolecule->isInteractive(); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/molecule.h000066400000000000000000000215741516317240700244140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MOLECULE_H #define AVOGADRO_QTGUI_MOLECULE_H #include "avogadroqtguiexport.h" #include "persistentatom.h" #include "persistentbond.h" #include #include #include #include namespace Avogadro { namespace QtGui { class Mesh; class RWMolecule; /** * @class Molecule molecule.h * @brief A QObject derived molecule object with signals/slots. */ class AVOGADROQTGUI_EXPORT Molecule : public QObject, public Core::Molecule { Q_OBJECT public: /** Typedef for Atom class. */ typedef Core::Molecule::AtomType AtomType; /** Typedef for PersistentAtom class. */ typedef PersistentAtom PersistentAtomType; /** Typedef for Bond class. */ typedef Core::Molecule::BondType BondType; /** Typedef for PersistentBond class. */ typedef PersistentBond PersistentBondType; Molecule(QObject* parent_ = nullptr); ~Molecule() override; /** copy constructor */ Molecule(const Molecule& other); /** copy constructor to copy data from base instance */ Molecule(const Core::Molecule& other); /** Assignment operator */ Molecule& operator=(const Molecule& other); /** Assignment operator to copy data from base instance */ Molecule& operator=(const Core::Molecule& other); /** * \enum MoleculeChange *Enumeration of change types that can be given. */ enum MoleculeChange { /** Useful for initializing MoleculeChange variables. */ NoChange = 0, /** Object types that can be changed. */ Atoms = 1, Bonds = 2, UnitCell = 4, Selection = 8, Layers = 16, Properties = 32, Constraints = 64, Residues = 128, /** Indicates a new crystal structure (triggers space group fill). */ NewCrystal = 256, /** Operations that can affect the above types. */ Added = 1024, Removed = 2048, Modified = 4096, Moved = 8192 }; Q_DECLARE_FLAGS(MoleculeChanges, MoleculeChange) /** * Add an atom with @p atomicNumber to the molecule. * @return The atom created. */ AtomType addAtom(unsigned char atomicNumber) override; /** * Add an atom with @p atomicNumber and @p uniqueId to the molecule. * @return The atom created. This can be invalid if the unique ID was already * in use. */ virtual AtomType addAtom(unsigned char atomicNumber, Index uniqueId); AtomType addAtom(unsigned char number, Vector3 position3d, Index uniqueId = MaxIndex); /** * @brief Remove the specified atom from the molecule. * @param index The index of the atom to be removed. * @return True on success, false if the atom was not found. */ bool removeAtom(Index index) override; /** * @brief Remove the specified atom from the molecule. * @param atom The atom to be removed. * @return True on success, false if the atom was not found. * @overload */ bool removeAtom(const AtomType& atom) override; /** * @brief Get the atom referenced by the @p uniqueId, the isValid method * should be queried to ensure the id still referenced a valid atom. * @param uniqueId The unique identifier for the atom. * @return An Atom object, check it is valid before using it. */ AtomType atomByUniqueId(Index uniqueId); /** * @brief Get the unique ID of the atom, this will uniquely reference the atom * as long as it exists. * @param atom The atom to obtain the unique ID of. * @return The unique identifier for the atom, MaxIndex if the atom is invalid * or does not belong to this molecule. * @{ */ Index atomUniqueId(const AtomType& atom) const; Index atomUniqueId(Index atom) const; /** @} */ Core::Array& atomUniqueIds() { return m_atomUniqueIds; } /** * @brief Add a bond between the specified atoms. * @param a The first atom in the bond. * @param b The second atom in the bond. * @param bondOrder The order of the bond. * @return The bond created. */ BondType addBond(const AtomType& a, const AtomType& b, unsigned char bondOrder = 1) override; /** * @brief Add a bond between the specified atoms. * @param atomId1 The index of the first atom in the bond. * @param atomId2 The index of the second atom in the bond. * @param bondOrder The order of the bond. * @return The bond created. */ BondType addBond(Index atomId1, Index atomId2, unsigned char bondOrder = 1) override; void addBonds(const Core::Array>& bonds, const Core::Array& orders); /** * @brief Add a bond between the specified atoms. * @param a The first atom in the bond. * @param b The second atom in the bond. * @param bondOrder The order of the bond. * @param uniqueId The unique ID to use for the bond. * @return The bond created. This can be invalid if the unique ID was already * in use. */ virtual BondType addBond(const AtomType& a, const AtomType& b, unsigned char bondOrder, Index uniqueId); /** * @brief Add a bond between the specified atoms. * @param atomId1 The index of the first atom in the bond. * @param atomId2 The index of the second atom in the bond. * @param bondOrder The order of the bond. * @param uniqueId The unique ID to use for the bond. * @return The bond created. This can be invalid if the unique ID was already * in use. */ virtual BondType addBond(Index atomId1, Index atomId2, unsigned char bondOrder, Index uniqueId); /** * @brief Remove the specified bond. * @param index The index of the bond to be removed. * @return True on success, false if the bond was not found. */ bool removeBond(Index index) override; /** * @brief Remove the specified bond. * @param bond The bond to be removed. * @return True on success, false if the bond was not found. * @overload */ bool removeBond(const BondType& bond) override; /** * @brief Remove the specified bond. * @param atom1 One atom in the bond. * @param atom2 The other atom in the bond. * @return True on success, false if the bond was not found. * @overload * @{ */ bool removeBond(const AtomType& atom1, const AtomType& atom2) override; bool removeBond(Index atom1, Index atom2) override; /** @} */ /** * @brief Get the bond referenced by the @p uniqueId, the isValid method * should be queried to ensure the id still referenced a valid bond. * @param uniqueId The unique identifier for the bond. * @return A Bond object, check it is valid before using it. */ BondType bondByUniqueId(Index uniqueId); /** * @brief Get the unique ID of the bond, this will uniquely reference the bond * as long as it exists. * @param bond The bond to obtain the unique ID of. * @return The unique identifier for the bond, MaxIndex if the bond is invalid * or does not belong to this molecule. * @{ */ Index bondUniqueId(const BondType& bond) const; Index bondUniqueId(Index bond) const; /** @} */ Core::Array& bondUniqueIds() { return m_bondUniqueIds; } Index findAtomUniqueId(Index index) const; Index findBondUniqueId(Index index) const; RWMolecule* undoMolecule(); /** * @brief Get the formatted chemical formula for the molecule. * @return The formatted chemical formula in HTML format. * This will include subscripts for atom counts and superscripts for charge * and spin multiplicity. */ QString formattedFormula() const; bool isInteractive() const; void swapBond(Index a, Index b); void swapAtom(Index a, Index b); public slots: /** * @brief Force the molecule to emit the changed() signal. * @param change See changed(). */ void emitChanged(unsigned int change); /** * @brief Request an update through the update() signal */ void emitUpdate() const; signals: /** * @brief Indicates that the molecule has changed. * @param change Use the MoleculeChange enum to check what has changed. * * The @p change variable indicates what has changed, i.e. if * change & Atoms == true then atoms were changed in some way, and if * change & Removed == true then one or more atoms were removed. */ void changed(unsigned int change) const; /** * @brief Request an update of the molecule. * (e.g., re-compute properties) */ void update() const; private: Core::Array m_atomUniqueIds; Core::Array m_bondUniqueIds; friend class RWMolecule; RWMolecule* m_undoMolecule; }; Q_DECLARE_OPERATORS_FOR_FLAGS(Molecule::MoleculeChanges) } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_MOLECULE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/moleculemodel.cpp000066400000000000000000000141561516317240700257660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "moleculemodel.h" #include "molecule.h" #include #include #include #include #include namespace Avogadro::QtGui { MoleculeModel::MoleculeModel(QObject* p) : QAbstractItemModel(p), m_activeMolecule(nullptr) { const QPalette defaultPalette; bool darkMode = (defaultPalette.color(QPalette::WindowText).lightness() > defaultPalette.color(QPalette::Window).lightness()); loadIcons(darkMode); } QModelIndex MoleculeModel::parent(const QModelIndex&) const { return QModelIndex(); } void MoleculeModel::loadIcons(bool darkMode) { QString iconPath = ":icons/fallback/32x32/"; QString plusIconPath = iconPath + (darkMode ? "plus-dark.png" : "plus-light.png"); QString closeIconPath = iconPath + (darkMode ? "cross-dark.png" : "cross-light.png"); m_plusIcon = QIcon(plusIconPath); m_closeIcon = QIcon(closeIconPath); } int MoleculeModel::rowCount(const QModelIndex& p) const { if (p.isValid()) return 0; else return m_molecules.size() + 1; } int MoleculeModel::columnCount(const QModelIndex&) const { return 2; } Qt::ItemFlags MoleculeModel::flags(const QModelIndex& idx) const { if (idx.row() == m_molecules.size()) return Qt::ItemIsEnabled | Qt::ItemIsSelectable; if (idx.column() == 0) return static_cast(Qt::ItemIsEditable | Qt::ItemIsEnabled); return Qt::ItemIsEnabled; } bool MoleculeModel::setData(const QModelIndex& idx, const QVariant& value, int role) { if (!idx.isValid() || idx.column() > 2) return false; auto* object = static_cast(idx.internalPointer()); auto* mol = qobject_cast(object); if (!mol) return false; switch (role) { case Qt::CheckStateRole: m_activeMolecule = mol; if (value == Qt::Checked /*&& !item->isEnabled()*/) { // item->setEnabled(true); emit moleculeStateChanged(mol); } else if (value == Qt::Unchecked /*&& item->isEnabled()*/) { // item->setEnabled(false); emit moleculeStateChanged(mol); } emit dataChanged(idx, idx); return true; case Qt::EditRole: if (!value.toString().isEmpty()) { // don't set an empty name mol->setData("name", std::string(value.toString().toLatin1())); emit dataChanged(idx, idx); } return true; } return false; } QVariant MoleculeModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || idx.column() > 2) return QVariant(); auto* object = static_cast(idx.internalPointer()); auto* mol = qobject_cast(object); if (idx.row() == m_molecules.size()) { if (idx.column() == 0 && role == Qt::DecorationRole) { return m_plusIcon; } return QVariant(); } if (!mol) return QVariant(); if (idx.column() == 0) { switch (role) { case Qt::DisplayRole: { std::string name = tr("Untitled").toStdString(); if (mol && mol->hasData("name") && !(mol->data("name").toString().empty())) { // don't set an empty name name = mol->data("name").toString(); } else if (mol && mol->hasData("fileName")) { name = QFileInfo(mol->data("fileName").toString().c_str()) .fileName() .toStdString(); } if (mol) return QString("%1 (%2)") .arg(QString::fromStdString(name)) .arg(mol->formattedFormula()); else return tr("Edit molecule"); } case Qt::EditRole: return mol->data("name").toString().c_str(); case Qt::ToolTipRole: if (mol->hasData("fileName")) return mol->data("fileName").toString().c_str(); return tr("Not saved"); case Qt::WhatsThisRole: return mol->formula().c_str(); case Qt::FontRole: if (mol == m_activeMolecule) { QFont font; font.setBold(true); return font; } return QVariant(); default: return QVariant(); } } else if (idx.column() == 1) { if (role == Qt::DecorationRole) return m_closeIcon; } return QVariant(); } QModelIndex MoleculeModel::index(int row, int column, const QModelIndex& p) const { if (!p.isValid()) if (row >= 0 && row < m_molecules.size()) { return createIndex(row, column, m_molecules[row]); } if (row == m_molecules.size()) { return createIndex(row, column, nullptr); } return QModelIndex(); } void MoleculeModel::clear() { m_molecules.clear(); } QList MoleculeModel::molecules() const { return m_molecules; } QList MoleculeModel::activeMolecules() const { QList result; foreach (Molecule* mol, m_molecules) { if (true) result << mol; } return result; } void MoleculeModel::setActiveMolecule(QObject* active) { if (m_activeMolecule == active) return; m_activeMolecule = active; emit dataChanged(createIndex(0, 0), createIndex(m_molecules.size(), 0)); } void MoleculeModel::addItem(Molecule* item) { if (!m_molecules.contains(item)) { int row = m_molecules.size(); beginInsertRows(QModelIndex(), row, row); m_molecules.append(item); item->setParent(this); endInsertRows(); } } void MoleculeModel::removeItem(Molecule* item) { if (m_molecules.contains(item)) { int row = m_molecules.indexOf(item); beginRemoveRows(QModelIndex(), row, row); m_molecules.removeAt(row); // Do we want strong ownership of molecules? item->deleteLater(); endRemoveRows(); } } void MoleculeModel::itemChanged() { auto* item = qobject_cast(sender()); if (item) { int row = m_molecules.indexOf(item); if (row >= 0) emit dataChanged(createIndex(row, 0), createIndex(row, 0)); } } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/moleculemodel.h000066400000000000000000000042451516317240700254310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MOLECULEMODEL_H #define AVOGADRO_QTGUI_MOLECULEMODEL_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace QtGui { class Molecule; struct MoleculeSystem { MoleculeSystem() : m_molecule(nullptr), m_dirty(false), m_active(false) {} Molecule* m_molecule; Eigen::Affine3f m_modelView; bool m_dirty; bool m_active; }; /** * @class MoleculeModel moleculemodel.h * @brief A model containing molecules. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT MoleculeModel : public QAbstractItemModel { Q_OBJECT public: explicit MoleculeModel(QObject* p = nullptr); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void clear(); QList molecules() const; QList activeMolecules() const; QObject* activeMolecule() const { return m_activeMolecule; } signals: void moleculeStateChanged(Avogadro::QtGui::Molecule*); public slots: void setActiveMolecule(QObject* active); void addItem(Avogadro::QtGui::Molecule* item); void removeItem(Avogadro::QtGui::Molecule* item); void itemChanged(); void loadIcons(bool darkMode); private: QList m_molecules; QObject* m_activeMolecule; QIcon m_plusIcon; QIcon m_closeIcon; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_MOLECULEMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/multiviewwidget.cpp000066400000000000000000000164231516317240700263700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "multiviewwidget.h" #include "containerwidget.h" #include "viewfactory.h" #include #include #include #include #include #include namespace Avogadro::QtGui { class ActiveWidgetFilter : public QObject { Q_OBJECT public: ActiveWidgetFilter(MultiViewWidget* p = nullptr) : QObject(p), m_widget(p) {} signals: void activeWidget(QWidget* widget); protected: bool eventFilter(QObject* obj, QEvent* e) override { Q_ASSERT(m_widget); if (e->type() == QEvent::MouseButtonPress) { QWidget* w = qobject_cast(obj); if (w && w != m_widget->activeWidget()) { m_widget->setActiveWidget(w); return true; } } return QObject::eventFilter(obj, e); } MultiViewWidget* m_widget; }; MultiViewWidget::MultiViewWidget(QWidget* p, Qt::WindowFlags f) : QWidget(p, f), m_factory(nullptr), m_activeWidget(nullptr), m_activeFilter(new ActiveWidgetFilter(this)) { } MultiViewWidget::~MultiViewWidget() {} void MultiViewWidget::addWidget(QWidget* widget) { if (widget) { ContainerWidget* container = createContainer(widget); m_children << container; if (m_children.size() == 1) { auto* widgetLayout = qobject_cast(layout()); if (!widgetLayout) { widgetLayout = new QVBoxLayout; widgetLayout->setContentsMargins(0, 0, 0, 0); setLayout(widgetLayout); } widgetLayout->addWidget(container); } widget->installEventFilter(m_activeFilter); setActiveWidget(widget); } } QWidget* MultiViewWidget::activeWidget() { return m_activeWidget; } void MultiViewWidget::setActiveWidget(QWidget* widget) { if (m_activeWidget != widget) { ContainerWidget* container(nullptr); if (m_activeWidget) container = qobject_cast(m_activeWidget->parentWidget()); if (container) container->setActive(false); m_activeWidget = widget; container = nullptr; if (widget) container = qobject_cast(widget->parentWidget()); if (container) container->setActive(true); emit activeWidgetChanged(widget); } } void MultiViewWidget::splitHorizontal() { auto* container = qobject_cast(sender()); if (container) splitView(Qt::Horizontal, container); } void MultiViewWidget::splitVertical() { auto* container = qobject_cast(sender()); if (container) splitView(Qt::Vertical, container); } void MultiViewWidget::createView() { auto* button = qobject_cast(sender()); if (m_factory && button && button->parentWidget() && button->parentWidget()->parentWidget()) { QWidget* optionsWidget = button->parentWidget(); auto* container = qobject_cast(optionsWidget->parentWidget()); if (container) { auto widget = m_factory->createView(button->property("name").toString()); if (widget) { widget->installEventFilter(m_activeFilter); container->layout()->removeWidget(optionsWidget); container->layout()->addWidget(widget); optionsWidget->deleteLater(); setActiveWidget(widget); } } } } void MultiViewWidget::removeView() { auto* container = qobject_cast(sender()); if (container) { auto* splitter = qobject_cast(container->parent()); if (splitter && splitter->count() == 2) { // Get its parent, and insert the other widget into it, delete this // widget. auto* splitterParent = qobject_cast(splitter->parent()); QWidget* moveWidget = splitter->widget(0); if (moveWidget == container) moveWidget = splitter->widget(1); setActiveWidget(moveWidget); if (splitterParent) { int idx = splitterParent->indexOf(splitter); splitterParent->insertWidget(idx, moveWidget); splitter->deleteLater(); } else if (splitter->parent() == this) { // No more splits - back to single view widget. auto* layoutParent = qobject_cast(layout()); if (layoutParent) { layoutParent->addWidget(moveWidget); layoutParent->removeWidget(splitter); splitter->deleteLater(); } } } else if (container->parent() == this) { // Delete the current container, and create the option container. auto* vLayout = qobject_cast(layout()); container->deleteLater(); ContainerWidget* newContainer = createContainer(); vLayout->addWidget(newContainer); setActiveWidget(newContainer); } } } ContainerWidget* MultiViewWidget::createContainer(QWidget* widget) { auto* container = new ContainerWidget; connect(container, SIGNAL(splitHorizontal()), SLOT(splitHorizontal())); connect(container, SIGNAL(splitVertical()), SLOT(splitVertical())); connect(container, SIGNAL(closeView()), SLOT(removeView())); if (widget) { container->setViewWidget(widget); } // If we have a factory, then create the options widget too! else if (m_factory) { auto* optionsWidget = new QWidget; auto* v = new QVBoxLayout; optionsWidget->setLayout(v); v->addStretch(); foreach (const QString& name, m_factory->views()) { auto* button = new QPushButton(name); button->setProperty("name", name); button->setToolTip(tr("Create a new view")); connect(button, SIGNAL(clicked()), SLOT(createView())); auto* h = new QHBoxLayout; h->addStretch(); h->addWidget(button); h->addStretch(); v->addLayout(h); } v->addStretch(); container->layout()->addWidget(optionsWidget); } return container; } void MultiViewWidget::splitView(Qt::Orientation orient, ContainerWidget* container) { auto* widgetLayout = qobject_cast(container->parent()); auto* split = qobject_cast(container->parent()); if (!widgetLayout) if (container->parent() == this) widgetLayout = qobject_cast(layout()); if (widgetLayout) { auto* splitter = new QSplitter(orient, this); widgetLayout->removeWidget(container); widgetLayout->addWidget(splitter); splitter->addWidget(container); container = createContainer(); splitter->addWidget(container); QList sizes; int s = Qt::Horizontal ? splitter->size().width() / 2 : splitter->size().height() / 2; sizes << s << s; splitter->setSizes(sizes); } else if (split) { auto* splitter = new QSplitter(orient, this); int idx = split->indexOf(container); splitter->addWidget(container); container = createContainer(); splitter->addWidget(container); split->insertWidget(idx, splitter); QList sizes; int s = Qt::Horizontal ? splitter->size().width() / 2 : splitter->size().height() / 2; sizes << s << s; splitter->setSizes(sizes); } } } // namespace Avogadro::QtGui #include "multiviewwidget.moc" OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/multiviewwidget.h000066400000000000000000000036431516317240700260350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MULTIVIEWWIDGET_H #define AVOGADRO_QTGUI_MULTIVIEWWIDGET_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { class ContainerWidget; class ViewFactory; class ActiveWidgetFilter; /** * @class MultiViewWidget multiviewwidget.h * @brief A widget that contains other views, taking on responsibility for * defining the active view, the layout of the subviews and ownership of the * widgets. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT MultiViewWidget : public QWidget { Q_OBJECT public: explicit MultiViewWidget(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~MultiViewWidget() override; void addWidget(QWidget* widget); /** * @brief Get the currently active widget. * @return The active widget. */ QWidget* activeWidget(); void setActiveWidget(QWidget* widget); void setFactory(ViewFactory* factory) { m_factory = factory; } void setDefaultView(const QString& viewName) { m_defaultView = viewName; } signals: void activeWidgetChanged(QWidget* widget); public slots: void splitHorizontal(); void splitVertical(); void createView(); void removeView(); private: QList m_children; ViewFactory* m_factory; QString m_defaultView; QWidget* m_activeWidget; ActiveWidgetFilter* m_activeFilter; ContainerWidget* createContainer(QWidget* widget = nullptr); void splitView(Qt::Orientation orient, ContainerWidget* container); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_MULTIVIEWWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/packagemanager.cpp000066400000000000000000000720751516317240700260720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "packagemanager.h" #include "tomlparse.h" #include "utilities.h" #include #include #include #include #include #include #include #include #include #include #include #include #include using namespace Qt::StringLiterals; namespace Avogadro::QtGui { PackageManager::PackageManager(QObject* parent) : QObject(parent) {} PackageManager* PackageManager::instance() { static PackageManager instance; return &instance; } QStringList PackageManager::featureTypes() { return { QStringLiteral("menu-commands"), QStringLiteral("electrostatic-models"), QStringLiteral("energy-models"), QStringLiteral("file-formats"), QStringLiteral("input-generators") }; } QString PackageManager::packageFeatureKey(const QString& packageDir, const QString& command, const QString& identifier) { return packageDir + QLatin1Char('\n') + command + QLatin1Char('\n') + identifier; } QJsonObject PackageManager::loadOptionsFromFile(const QString& userOptionsPath) { QFile optFile(userOptionsPath); if (!optFile.open(QIODevice::ReadOnly)) { qWarning() << "PackageManager: could not open user-options file:" << userOptionsPath; return {}; } const QByteArray optContent = optFile.readAll(); if (userOptionsPath.endsWith(QLatin1String(".toml"), Qt::CaseInsensitive)) { bool ok = false; const QJsonObject opts = parseTomlToJson(optContent, &ok); if (!ok) { qWarning() << "PackageManager: failed to parse TOML user-options file:" << userOptionsPath; return {}; } return opts; } QJsonParseError err; const QJsonDocument doc = QJsonDocument::fromJson(optContent, &err); if (err.error != QJsonParseError::NoError) { qWarning() << "PackageManager: failed to parse user-options JSON:" << userOptionsPath << err.errorString(); return {}; } // Accept either a bare array (new style, multiple tabs) or a wrapping // object (old style, with a "userOptions" key). A bare array is normalised // to {"userOptions": } so the rest of the code sees a uniform object. if (doc.isArray()) { QJsonObject wrapped; wrapped.insert(QStringLiteral("userOptions"), doc.array()); return wrapped; } else if (doc.isObject()) { QJsonObject wrapped; wrapped.insert(QStringLiteral("userOptions"), doc.object()); return wrapped; } if (!doc.isObject()) { qWarning() << "PackageManager: user-options JSON root is not an object or" " array:" << userOptionsPath; return {}; } return doc.object(); } void PackageManager::mergeOptionsFromFile(QJsonObject& opts, const QString& userOptionsPath) { const QJsonObject fileOpts = loadOptionsFromFile(userOptionsPath); for (auto it = fileOpts.constBegin(); it != fileOpts.constEnd(); ++it) opts.insert(it.key(), it.value()); } // Locate an installed console script inside a pixi or venv environment. static QString findInstalledScript(const QString& packageDir, const QString& scriptName, bool isPixi) { #ifdef Q_OS_WIN const QString binDir = packageDir + (isPixi ? QStringLiteral("/.pixi/envs/default/Scripts") : QStringLiteral("/.venv/Scripts")); const QStringList exeSuffixes = { QStringLiteral(".exe"), QString() }; #else const QString binDir = packageDir + (isPixi ? QStringLiteral("/.pixi/envs/default/bin") : QStringLiteral("/.venv/bin")); const QStringList exeSuffixes = { QString() }; #endif for (const QString& suffix : exeSuffixes) { const QString candidate = binDir + QLatin1Char('/') + scriptName + suffix; if (QFileInfo(candidate).isExecutable()) return candidate; } return {}; } QJsonObject PackageManager::loadOptionsFromScript(const QString& packageDir, const QString& command, const QString& identifier) { // Locate pixi or the venv-installed script. #ifdef Q_OS_WIN QString pixiName = QStringLiteral("pixi.exe"); #else QString pixiName = QStringLiteral("pixi"); #endif QString pixiDir = Utilities::findExecutablePath(pixiName); QString pixiExe = pixiDir.isEmpty() ? QString() : pixiDir + '/' + pixiName; QProcess proc; proc.setWorkingDirectory(packageDir); QStringList userOptsArgs; if (!identifier.isEmpty()) userOptsArgs << identifier; userOptsArgs << QStringLiteral("--user-options"); if (!pixiExe.isEmpty()) { QStringList pixiArgs = { QStringLiteral("run"), QStringLiteral("--as-is"), command }; pixiArgs << userOptsArgs; proc.start(pixiExe, pixiArgs); } else { // Try the venv-installed script directly. QString scriptExe = findInstalledScript(packageDir, command, false); if (scriptExe.isEmpty()) { qWarning() << "PackageManager: cannot find pixi or venv script for" << command << "in" << packageDir; return {}; } proc.start(scriptExe, userOptsArgs); } // Plugins may always expect some valid JSON as input over stdin, even if it's // just an empty object QByteArray scriptStdin = "{}"_ba; proc.write(scriptStdin); // Python proc.closeWriteChannel(); constexpr int timeoutMs = 30000; // 30 seconds if (!proc.waitForStarted(timeoutMs)) { qWarning() << "PackageManager: --user-options script could not start:" << proc.errorString(); return {}; } if (!proc.waitForFinished(timeoutMs)) { qWarning() << "PackageManager: --user-options script timed out for" << packageDir; proc.kill(); return {}; } if (proc.exitCode() != 0) { qWarning() << "PackageManager: --user-options script failed for" << packageDir << ":" << QString::fromUtf8(proc.readAllStandardError()); return {}; } const QByteArray output = proc.readAllStandardOutput(); QJsonParseError err; const QJsonDocument doc = QJsonDocument::fromJson(output, &err); if (err.error != QJsonParseError::NoError) { qWarning() << "PackageManager: failed to parse --user-options JSON from" << command << ":" << err.errorString(); return {}; } if (doc.isArray()) { QJsonObject wrapped; wrapped.insert(QStringLiteral("userOptions"), doc.array()); return wrapped; } if (!doc.isObject()) { qWarning() << "PackageManager: --user-options output is not an object or" " array from" << command; return {}; } return doc.object(); } QJsonObject PackageManager::resolveUserOptions(const QString& userOptionsValue, const QString& packageDir, const QString& command, const QString& identifier) { if (userOptionsValue.isEmpty()) return {}; QJsonObject result; if (userOptionsValue == QLatin1String("dynamic")) result = loadOptionsFromScript(packageDir, command, identifier); else result = loadOptionsFromFile(packageDir + '/' + userOptionsValue); // Both loadOptionsFromFile() and loadOptionsFromScript() may wrap a bare // array under "userOptions". Unwrap so callers can insert under their own // key without double-nesting. if (result.contains(QStringLiteral("userOptions"))) { QJsonValue val = result.value(QStringLiteral("userOptions")); if (val.isObject()) return val.toObject(); // Value is an array; return wrapped form for caller to handle. return result; } return result; } static bool hasNonExecutablePixiPython(const QString& packageDir) { #ifdef Q_OS_WIN const QStringList pythonDirs = { packageDir + QStringLiteral("/.pixi/envs/default/Scripts"), packageDir + QStringLiteral("/.pixi/envs/default/bin") }; #else const QStringList pythonDirs = { packageDir + QStringLiteral("/.pixi/envs/default/bin") }; #endif for (const QString& dirPath : pythonDirs) { QDir dir(dirPath); if (!dir.exists()) continue; const QFileInfoList candidates = dir.entryInfoList(QStringList() << QStringLiteral("python*"), QDir::Files | QDir::NoDotAndDotDot); if (candidates.isEmpty()) continue; for (const QFileInfo& candidate : candidates) { if (!candidate.isExecutable()) return true; } } return false; } // --------------------------------------------------------------------------- // QSettings serialisation helpers (features stored as JSON) // --------------------------------------------------------------------------- QJsonObject PackageManager::featureEntryToJson(const FeatureEntry& entry) { QJsonObject obj; obj[QStringLiteral("type")] = entry.type; obj[QStringLiteral("identifier")] = entry.identifier; obj[QStringLiteral("metadata")] = QJsonObject::fromVariantMap(entry.metadata); return obj; } PackageManager::FeatureEntry PackageManager::featureEntryFromJson( const QJsonObject& obj) { FeatureEntry entry; entry.type = obj[QStringLiteral("type")].toString(); entry.identifier = obj[QStringLiteral("identifier")].toString(); entry.metadata = obj[QStringLiteral("metadata")].toObject().toVariantMap(); return entry; } // --------------------------------------------------------------------------- // Installation // --------------------------------------------------------------------------- // Read the *-setup script name from [project.scripts], if any. static QString readSetupCommand(const QString& packageDir) { QString tomlPath = packageDir + QStringLiteral("/pyproject.toml"); QFile tomlFile(tomlPath); if (!tomlFile.open(QIODevice::ReadOnly)) return {}; const QByteArray content = tomlFile.readAll(); bool ok = false; const QVariantMap root = parseTomlString(std::string_view(content.constData(), content.size()), &ok); if (!ok) return {}; const QVariantMap scripts = root.value(QStringLiteral("project")) .toMap() .value(QStringLiteral("scripts")) .toMap(); // Only allow script names with safe characters (letters, digits, hyphen, // underscore) to prevent path traversal when the name is used to build // an executable path. auto isSafeScriptName = [](const QString& name) { for (const QChar ch : name) { const ushort u = ch.unicode(); if (!((u >= 'a' && u <= 'z') || (u >= 'A' && u <= 'Z') || (u >= '0' && u <= '9') || u == '-' || u == '_')) return false; } return !name.isEmpty(); }; for (auto it = scripts.constBegin(); it != scripts.constEnd(); ++it) { if (it.key().startsWith(QStringLiteral("avogadro-")) && it.key().endsWith(QStringLiteral("-setup")) && isSafeScriptName(it.key())) return it.key(); } return {}; } // Run a package's *-setup script (e.g. to download ML model weights). static void runSetupScript(const QString& packageDir, const QString& setupCmd, bool isPixi, int timeoutMs) { if (setupCmd.isEmpty()) return; const QString setupExe = findInstalledScript(packageDir, setupCmd, isPixi); if (setupExe.isEmpty()) return; QProcess proc; proc.setWorkingDirectory(packageDir); proc.start(setupExe, {}); if (!proc.waitForStarted(timeoutMs)) { qWarning() << "setup script could not be started for" << packageDir << ":" << proc.errorString(); return; } if (!proc.waitForFinished(timeoutMs)) { qWarning() << "setup script timed out for" << packageDir; proc.kill(); } else if (proc.exitCode() != 0) { qWarning() << "setup script failed for" << packageDir << ":" << QString::fromUtf8(proc.readAllStandardError()); } } void PackageManager::installPackages(const QStringList& packageDirs) { #ifdef Q_OS_WIN const QString pixiName = QStringLiteral("pixi.exe"); const QStringList pythonNames = { QStringLiteral("python.exe"), QStringLiteral("python3.exe") }; #else const QString pixiName = QStringLiteral("pixi"); const QStringList pythonNames = { QStringLiteral("python3"), QStringLiteral("python") }; #endif QString pixiDir = Utilities::findExecutablePath(pixiName); QString pixiExe = pixiDir.isEmpty() ? QString() : pixiDir + '/' + pixiName; QString pythonExe; if (pixiExe.isEmpty()) { for (const QString& pythonName : pythonNames) { const QString pythonDir = Utilities::findExecutablePath(pythonName); if (!pythonDir.isEmpty()) { pythonExe = pythonDir + '/' + pythonName; break; } } } // Pre-read setup commands on the main thread so the install thread doesn't // need to re-parse pyproject.toml (parsePackage() will read it again later). QMap setupCommands; for (const QString& dir : packageDirs) setupCommands[dir] = readSetupCommand(dir); QThread* installThread = QThread::create([pixiExe, pythonExe, packageDirs, setupCommands]() { constexpr int installTimeoutMs = 10 * 60 * 1000; // 10 minutes for (const QString& packageDir : packageDirs) { if (pixiExe.isEmpty() && pythonExe.isEmpty()) continue; // TODO - give a warning to the user that they need pixi if (!pixiExe.isEmpty()) { // If a copied package includes a non-executable .pixi environment, // pixi install fails querying its interpreter. Remove it and // recreate. const QString pixiDir = packageDir + QStringLiteral("/.pixi"); if (hasNonExecutablePixiPython(packageDir)) { if (!QDir(pixiDir).removeRecursively()) { qWarning() << "Could not remove invalid .pixi directory in" << packageDir; } } // Pixi install QProcess installProc; installProc.setWorkingDirectory(packageDir); installProc.start(pixiExe, { QStringLiteral("install") }); if (!installProc.waitForFinished(installTimeoutMs)) { qWarning() << "pixi install timed out for" << packageDir; installProc.kill(); continue; } if (installProc.exitCode() != 0) { qWarning() << "pixi install failed for" << packageDir << ":" << QString::fromUtf8(installProc.readAllStandardError()); } else { // Run the *-setup script if one is declared (e.g. to download ML // model weights). runSetupScript(packageDir, setupCommands.value(packageDir), true, installTimeoutMs); } } else { // Step 1: create a venv QProcess venvProc; venvProc.setWorkingDirectory(packageDir); venvProc.start(pythonExe, { QStringLiteral("-m"), QStringLiteral("venv"), QStringLiteral(".venv") }); if (!venvProc.waitForFinished(installTimeoutMs)) { qWarning() << "venv creation timed out for" << packageDir; venvProc.kill(); continue; } if (venvProc.exitCode() != 0) { qWarning() << "venv creation failed for" << packageDir << ":" << venvProc.readAllStandardError(); continue; } // Step 2: pip install . using the venv's pip #ifdef Q_OS_WIN QString venvPip = packageDir + QStringLiteral("/.venv/Scripts/pip.exe"); #else QString venvPip = packageDir + QStringLiteral("/.venv/bin/pip"); #endif QProcess installProc; installProc.setWorkingDirectory(packageDir); installProc.start(venvPip, { QStringLiteral("install"), QStringLiteral(".") }); if (!installProc.waitForFinished(installTimeoutMs)) { qWarning() << "pip install timed out for" << packageDir; installProc.kill(); continue; } if (installProc.exitCode() != 0) { qWarning() << "pip install failed for" << packageDir << ":" << installProc.readAllStandardError(); } else { // Run the *-setup script if one is declared. runSetupScript(packageDir, setupCommands.value(packageDir), false, installTimeoutMs); } } } }); connect( installThread, &QThread::finished, this, [this, packageDirs, installThread]() { for (const QString& packageDir : packageDirs) registerPackage(packageDir); emit packagesInstalled(); installThread->deleteLater(); }, Qt::QueuedConnection); installThread->start(); } // --------------------------------------------------------------------------- // Registration // --------------------------------------------------------------------------- bool PackageManager::registerPackage(const QString& packageDir) { PackageInfo info; QList features; if (!parsePackage(packageDir, info, features)) return false; // If already registered, remove old features first if (registeredPackages().contains(info.name)) unregisterPackage(info.name); saveToCache(info, features); emitFeatures(info, features); return true; } bool PackageManager::unregisterPackage(const QString& packageName) { PackageInfo info; QList features; if (!loadFromCache(packageName, info, features)) return false; // Notify consumers so they can clean up for (const auto& f : features) emit featureRemoved(f.type, info.directory, info.command, f.identifier); removeFromCache(packageName); return true; } // --------------------------------------------------------------------------- // Directory scanning // --------------------------------------------------------------------------- QStringList PackageManager::scanDirectory(const QString& directoryPath) { QStringList result; QDir dir(directoryPath); if (!dir.exists()) { #ifndef NDEBUG qWarning() << "PackageManager::scanDirectory: directory does not exist:" << directoryPath; #endif return result; } const QStringList subdirs = dir.entryList(QDir::Dirs | QDir::NoDotAndDotDot); for (const QString& subdir : subdirs) { QString packageDir = dir.absoluteFilePath(subdir); QString tomlPath = packageDir + QStringLiteral("/pyproject.toml"); QFile tomlFile(tomlPath); if (!tomlFile.exists()) continue; // Compute hash of the current pyproject.toml if (!tomlFile.open(QIODevice::ReadOnly)) continue; QByteArray currentHash = QCryptographicHash::hash(tomlFile.readAll(), QCryptographicHash::Sha256) .toHex(); tomlFile.close(); // Check if we already have this package with the same hash // We need to find the package name — check all registered packages bool needsRegistration = true; const QStringList known = registeredPackages(); for (const QString& name : known) { PackageInfo info = packageInfo(name); if (QDir(info.directory) == QDir(packageDir)) { // Same directory — check the cached hash QSettings settings; QString prefix = QStringLiteral("plugins/") + name + '/'; QByteArray cachedHash = settings.value(prefix + "tomlHash").toByteArray(); if (cachedHash == currentHash) { needsRegistration = false; } break; } } if (needsRegistration) { result.append(packageDir); } } return result; } // --------------------------------------------------------------------------- // Startup // --------------------------------------------------------------------------- void PackageManager::loadRegisteredPackages(const QString& typeFilter) { QSettings settings; settings.beginGroup(QStringLiteral("plugins")); const QStringList names = settings.childGroups(); settings.endGroup(); for (const QString& name : names) { PackageInfo info; QList features; if (!loadFromCache(name, info, features)) continue; if (typeFilter.isEmpty()) { emitFeatures(info, features); continue; } QList filtered; for (const auto& feature : features) { if (feature.type == typeFilter) filtered.append(feature); } if (!filtered.isEmpty()) emitFeatures(info, filtered); } } // --------------------------------------------------------------------------- // Queries // --------------------------------------------------------------------------- QStringList PackageManager::registeredPackages() const { QSettings settings; settings.beginGroup(QStringLiteral("plugins")); QStringList names = settings.childGroups(); settings.endGroup(); return names; } QStringList PackageManager::packageFeatureTypes( const QString& packageName) const { QSettings settings; QString prefix = QStringLiteral("plugins/") + packageName + '/'; QByteArray json = settings.value(prefix + "features").toByteArray(); QJsonDocument doc = QJsonDocument::fromJson(json); if (!doc.isArray()) return {}; QStringList types; const QJsonArray arr = doc.array(); for (const auto& val : arr) { if (!val.isObject()) continue; const QString type = val.toObject().value(QStringLiteral("type")).toString(); if (!type.isEmpty() && !types.contains(type)) types.append(type); } return types; } PackageManager::PackageInfo PackageManager::packageInfo( const QString& packageName) const { PackageInfo info; QSettings settings; QString prefix = QStringLiteral("plugins/") + packageName + '/'; info.name = packageName; info.version = settings.value(prefix + "version").toString(); info.directory = settings.value(prefix + "directory").toString(); info.command = settings.value(prefix + "command").toString(); // not really crucial info.description = settings.value(prefix + "description").toString(); return info; } // --------------------------------------------------------------------------- // TOML parsing // --------------------------------------------------------------------------- bool PackageManager::parsePackage(const QString& packageDir, PackageInfo& info, QList& features) { QString tomlPath = packageDir + QStringLiteral("/pyproject.toml"); QFileInfo fi(tomlPath); if (!fi.exists() || !fi.isReadable()) { qWarning() << "PackageManager: pyproject.toml not found in" << packageDir; return false; } QFile tomlFile(tomlPath); if (!tomlFile.open(QIODevice::ReadOnly | QIODevice::Text)) return false; QByteArray content = tomlFile.readAll(); bool ok = false; QVariantMap root = parseTomlString(std::string_view(content.constData(), content.size()), &ok); if (!ok) { qWarning() << "PackageManager: TOML parse error in" << tomlPath; return false; } // --- [project] --- QVariantMap project = root.value(QStringLiteral("project")).toMap(); if (project.isEmpty()) { qWarning() << "PackageManager: missing [project] table in" << tomlPath; return false; } info.directory = QDir(packageDir).absolutePath(); info.name = project.value(QStringLiteral("name")).toString(); info.version = project.value(QStringLiteral("version")).toString(); // not really crucial info.description = project.value(QStringLiteral("description")).toString(); if (info.name.isEmpty()) { qWarning() << "PackageManager: [project.name] is required in" << tomlPath; return false; } // --- [project.scripts] → find the avogadro- entry point --- // Skip *-setup scripts; those are post-install helpers, not the main command. QVariantMap scripts = project.value(QStringLiteral("scripts")).toMap(); for (auto it = scripts.constBegin(); it != scripts.constEnd(); ++it) { if (it.key().startsWith(QStringLiteral("avogadro-")) && !it.key().endsWith(QStringLiteral("-setup"))) { if (info.command.isEmpty()) info.command = it.key(); // in principle we should break, but check for multiple entries // and warn about them else qWarning() << "PackageManager: multiple avogadro-* entry points in" << tomlPath; } } if (info.command.isEmpty()) { qWarning() << "PackageManager: no avogadro-* entry in [project.scripts]" << "in" << tomlPath; return false; } // --- [tool.avogadro.*] feature arrays --- QVariantMap toolAvogadro = root.value(QStringLiteral("tool")) .toMap() .value(QStringLiteral("avogadro")) .toMap(); if (toolAvogadro.isEmpty()) { qWarning() << "PackageManager: missing [tool.avogadro] in" << tomlPath; return false; } const QStringList types = featureTypes(); for (const QString& type : types) { const QVariantList arr = toolAvogadro.value(type).toList(); for (const QVariant& element : arr) { QVariantMap table = element.toMap(); if (table.isEmpty()) continue; FeatureEntry entry; entry.type = type; entry.identifier = table.value(QStringLiteral("identifier")).toString(); if (entry.identifier.isEmpty()) { qWarning() << "PackageManager: feature in" << type << "missing identifier, skipping"; continue; } // Store the entire table as metadata (identifier is kept for // convenience) entry.metadata = table; features.append(entry); } } return true; } // --------------------------------------------------------------------------- // Signal emission // --------------------------------------------------------------------------- void PackageManager::emitFeatures(const PackageInfo& info, const QList& features) { for (const auto& f : features) { emit featureRegistered(f.type, info.directory, info.command, f.identifier, f.metadata); } } // --------------------------------------------------------------------------- // QSettings cache // --------------------------------------------------------------------------- void PackageManager::saveToCache(const PackageInfo& info, const QList& features) { QSettings settings; QString prefix = QStringLiteral("plugins/") + info.name + '/'; settings.setValue(prefix + "directory", info.directory); settings.setValue(prefix + "command", info.command); settings.setValue(prefix + "version", info.version); // not really crucial settings.setValue(prefix + "description", info.description); // Store a hash of pyproject.toml so scanDirectory() can detect changes QString tomlPath = info.directory + QStringLiteral("/pyproject.toml"); QFile tomlFile(tomlPath); if (tomlFile.open(QIODevice::ReadOnly)) { QByteArray hash = QCryptographicHash::hash(tomlFile.readAll(), QCryptographicHash::Sha256); settings.setValue(prefix + "tomlHash", hash.toHex()); } // Serialize features as a JSON array string QJsonArray arr; for (const auto& f : features) arr.append(featureEntryToJson(f)); settings.setValue(prefix + "features", QJsonDocument(arr).toJson(QJsonDocument::Compact)); settings.sync(); } void PackageManager::removeFromCache(const QString& packageName) { QSettings settings; settings.beginGroup(QStringLiteral("plugins")); settings.remove(packageName); settings.endGroup(); settings.sync(); } bool PackageManager::loadFromCache(const QString& packageName, PackageInfo& info, QList& features) { QSettings settings; QString prefix = QStringLiteral("plugins/") + packageName + '/'; info.name = packageName; info.directory = settings.value(prefix + "directory").toString(); info.command = settings.value(prefix + "command").toString(); info.version = settings.value(prefix + "version").toString(); info.description = settings.value(prefix + "description").toString(); if (info.directory.isEmpty() || info.command.isEmpty()) return false; // Verify the package directory still exists and has a pyproject.toml QFileInfo pyproject(info.directory + QLatin1String("/pyproject.toml")); if (!pyproject.isFile()) { removeFromCache(packageName); return false; } QByteArray json = settings.value(prefix + "features").toByteArray(); QJsonDocument doc = QJsonDocument::fromJson(json); if (!doc.isArray()) return false; const QJsonArray arr = doc.array(); for (const auto& val : arr) { if (val.isObject()) features.append(featureEntryFromJson(val.toObject())); } return true; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/packagemanager.h000066400000000000000000000175701516317240700255360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PACKAGEMANAGER_H #define AVOGADRO_QTGUI_PACKAGEMANAGER_H #include "avogadroqtguiexport.h" #include #include #include #include #include #include namespace Avogadro { namespace QtGui { /** * @brief Singleton that manages pyproject.toml-based plugin packages. * * Packages are registered once (at download time or manually) and cached in * QSettings. On startup, loadRegisteredPackages() replays the cached * registrations as featureRegistered() signals so that consumer plugins * (Command, ScriptCharges, Forcefield, etc.) can create their actions and * models without re-parsing TOML or calling scripts. * * During a session, registerPackage() can be called at any time (e.g. after * the plugin downloader installs a new package) and signals fire immediately. */ class AVOGADROQTGUI_EXPORT PackageManager : public QObject { Q_OBJECT public: static PackageManager* instance(); struct PackageInfo { QString name; ///< from [project.name] QString version; ///< from [project.version] QString directory; ///< absolute path to the package directory QString command; ///< entry point from [project.scripts] QString description; ///< from [project.description] }; /** Known feature-type strings (TOML table names under [tool.avogadro]). */ static QStringList featureTypes(); /** * Build a stable key for one package-provided feature. * Consumers can use this as a map key to track registrations and removals. * Components must not be empty. */ static QString packageFeatureKey(const QString& packageDir, const QString& command, const QString& identifier); /** * Load package user-options from JSON or TOML (selected by extension). * Returns an empty object on error. */ static QJsonObject loadOptionsFromFile(const QString& userOptionsPath); /** * Merge package user-options into @p opts. Keys from the file override * existing values in @p opts. */ static void mergeOptionsFromFile(QJsonObject& opts, const QString& userOptionsPath); /** * Run the package script with @c --user-options and parse the JSON output. * Uses pixi (preferred) or the venv-installed script as fallback. * Returns an empty object on error. */ static QJsonObject loadOptionsFromScript(const QString& packageDir, const QString& command, const QString& identifier); /** * Resolve user-options for a package feature. If @p userOptionsValue is * the literal string "dynamic", runs the script with @c --user-options * via loadOptionsFromScript(). Otherwise treats it as a relative file * path and loads via loadOptionsFromFile(). * Returns an empty object on error or if @p userOptionsValue is empty. */ static QJsonObject resolveUserOptions(const QString& userOptionsValue, const QString& packageDir, const QString& command, const QString& identifier); // --- Installation --- /** * Asynchronously run pixi (preferred) or pip install in each directory, * then call registerPackage() for each. * Emits packagesInstalled() when the background thread finishes. * Safe to call from the main thread. */ void installPackages(const QStringList& packageDirs); // --- Registration --- /** * Parse pyproject.toml in @p packageDir, cache the result in QSettings, * and emit featureRegistered() for every feature found. * @return true on success. */ bool registerPackage(const QString& packageDir); /** * Remove a package and all its feature registrations from the cache. * Emits featureRemoved() for each feature that was registered. */ bool unregisterPackage(const QString& packageName); // --- Startup --- /** * Load all previously-registered packages from QSettings and emit * featureRegistered() for each cached feature. * Call this once after all consumer plugins have connected. */ void loadRegisteredPackages(const QString& typeFilter = QString()); // --- Directory scanning --- /** * Scan @p directoryPath for subdirectories that contain a pyproject.toml. * Each discovered package is compared against the cached hash of its * pyproject.toml; new or modified packages are returned as a list of * absolute directory paths. The caller is responsible for calling * registerPackage() on any directories it wants to install. * @return list of package directories that are new or have been modified. */ QStringList scanDirectory(const QString& directoryPath); // --- Queries --- QStringList registeredPackages() const; PackageInfo packageInfo(const QString& packageName) const; /** * Return the distinct feature-type strings (e.g. "menu-commands", * "file-formats") for a registered package, read from the QSettings cache. */ QStringList packageFeatureTypes(const QString& packageName) const; signals: /** * Emitted after installPackages() finishes installing and registering * all requested packages. */ void packagesInstalled(); /** * Emitted for each feature found in a package. * * @param type One of the featureTypes() strings, e.g. * "menu-commands", "electrostatic-models", etc. * @param packageDir Absolute path to the package directory. * @param command Entry-point name from [project.scripts]. * @param identifier The feature's unique identifier. * @param metadata Remaining TOML sub-table fields as a QVariantMap. */ void featureRegistered(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata); /** * Emitted when a feature is removed (so consumers can clean up). * * @param type One of the featureTypes() strings. * @param packageDir Absolute path to the package directory. * @param command Entry-point name from [project.scripts]. * @param identifier The feature's unique identifier. */ void featureRemoved(const QString& type, const QString& packageDir, const QString& command, const QString& identifier); private: explicit PackageManager(QObject* parent = nullptr); /** Internal representation of a single feature entry. */ struct FeatureEntry { QString type; QString identifier; QVariantMap metadata; }; /** * Parse pyproject.toml at @p packageDir/pyproject.toml. * Populates @p info and @p features on success. */ bool parsePackage(const QString& packageDir, PackageInfo& info, QList& features); /** Emit featureRegistered() for every entry in @p features. */ void emitFeatures(const PackageInfo& info, const QList& features); // JSON serialisation for QSettings cache static QJsonObject featureEntryToJson(const FeatureEntry& entry); static FeatureEntry featureEntryFromJson(const QJsonObject& obj); // QSettings helpers void saveToCache(const PackageInfo& info, const QList& features); void removeFromCache(const QString& packageName); bool loadFromCache(const QString& packageName, PackageInfo& info, QList& features); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_PACKAGEMANAGER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/periodictablescene_p.cpp000066400000000000000000000107511516317240700273000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "periodictablescene_p.h" #include "elementdetail_p.h" #include "elementitem_p.h" #include "elementtranslator.h" #include #include #include #include #include namespace Avogadro::QtGui { PeriodicTableScene::PeriodicTableScene(QObject* parent_) : QGraphicsScene(parent_) { int width_ = 26; int height_ = 26; m_detail = new ElementDetail(1); m_detail->setPos(6.5 * width_, 0.75 * height_); addItem(m_detail); auto* item = new ElementItem(1); item->setPos(0 * width_, 0 * height_); addItem(item); item = new ElementItem(2); item->setPos(17 * width_, 0 * height_); addItem(item); item = new ElementItem(3); item->setPos(0 * width_, 1 * height_); addItem(item); item = new ElementItem(4); item->setPos(1 * width_, 1 * height_); addItem(item); item = new ElementItem(5); item->setPos(12 * width_, 1 * height_); addItem(item); item = new ElementItem(6); item->setPos(13 * width_, 1 * height_); addItem(item); item = new ElementItem(7); item->setPos(14 * width_, 1 * height_); addItem(item); item = new ElementItem(8); item->setPos(15 * width_, 1 * height_); addItem(item); item = new ElementItem(9); item->setPos(16 * width_, 1 * height_); addItem(item); item = new ElementItem(10); item->setPos(17 * width_, 1 * height_); addItem(item); item = new ElementItem(11); item->setPos(0 * width_, 2 * height_); addItem(item); item = new ElementItem(12); item->setPos(1 * width_, 2 * height_); addItem(item); item = new ElementItem(13); item->setPos(12 * width_, 2 * height_); addItem(item); item = new ElementItem(14); item->setPos(13 * width_, 2 * height_); addItem(item); item = new ElementItem(15); item->setPos(14 * width_, 2 * height_); addItem(item); item = new ElementItem(16); item->setPos(15 * width_, 2 * height_); addItem(item); item = new ElementItem(17); item->setPos(16 * width_, 2 * height_); addItem(item); item = new ElementItem(18); item->setPos(17 * width_, 2 * height_); addItem(item); int element = 19; for (int i = 3; i < 5; ++i) { for (int j = 0; j < 18; ++j) { item = new ElementItem(element++); item->setPos(j * width_, i * height_); addItem(item); } } item = new ElementItem(element++); item->setPos(0 * width_, 5 * height_); addItem(item); item = new ElementItem(element++); item->setPos(1 * width_, 5 * height_); addItem(item); element = 71; for (int i = 2; i < 18; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 5 * height_); addItem(item); } item = new ElementItem(element++); item->setPos(0 * width_, 6 * height_); addItem(item); item = new ElementItem(element++); item->setPos(1 * width_, 6 * height_); addItem(item); element = 103; // Goes up to element 118 for (int i = 2; i < 18; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 6 * height_); addItem(item); } // Now for the weird ones at the bottom... element = 57; for (int i = 2; i < 16; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 7.5 * height_); addItem(item); } element = 89; for (int i = 2; i < 16; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 8.5 * height_); addItem(item); } } void PeriodicTableScene::mousePressEvent(QGraphicsSceneMouseEvent* event_) { if (event_->button() != Qt::LeftButton) return; QGraphicsItem* item = QGraphicsScene::itemAt(event_->scenePos(), QTransform()); if (item->data(0).toInt() > 0 && item->data(0).toInt() < 119) { emit(elementChanged(item->data(0).toInt())); m_detail->setElement(item->data(0).toInt()); } QGraphicsScene::mousePressEvent(event_); } void PeriodicTableScene::changeElement(int element) { // Find the item to select foreach (QGraphicsItem* item, items()) { if (item->data(0).toInt() == element) item->setSelected(true); else item->setSelected(false); } // Emit a signal the element changed, and update the detail item. emit(elementChanged(element)); m_detail->setElement(element); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/periodictablescene_p.h000066400000000000000000000027341516317240700267470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERIODICTABLESCENE_P_H #define AVOGADRO_QTGUI_PERIODICTABLESCENE_P_H #include namespace Avogadro { namespace QtGui { class ElementDetail; /** * @class PeriodicTableScene * @internal * @author Marcus D. Hanwell * @brief This class encapsulates the scene, all items are contained in it. * * This class implements a QGraphicsScene that holds all of the element items. * Any items owned by this class are automatically deleted by it. */ class PeriodicTableScene : public QGraphicsScene { Q_OBJECT public: /** Constructor. */ explicit PeriodicTableScene(QObject* parent = nullptr); signals: /** * This signal is emitted when an element item is clicked. */ void elementChanged(int element); public slots: /** * This slot is called when an element is changed (e.g., by keyboard or code). */ void changeElement(int element); protected: /** * Handles the mouse press events to change the active element. */ void mousePressEvent(QGraphicsSceneMouseEvent* event) override; private: ElementDetail* m_detail; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_PERIODICTABLESCENE_P_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/periodictableview.cpp000066400000000000000000000102371516317240700266350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "periodictableview.h" #include "periodictablescene_p.h" #include #include #include namespace Avogadro::QtGui { using Core::Elements; PeriodicTableView::PeriodicTableView(QWidget* parent_) : QGraphicsView(parent_), m_element(6) // Everyone loves carbon. { // Make the periodic table view a standard dialog. setWindowFlags(Qt::Dialog); auto* table = new PeriodicTableScene; table->setSceneRect(-20, -20, 480, 260); table->setItemIndexMethod(QGraphicsScene::NoIndex); table->setBackgroundBrush(Qt::white); table->changeElement(m_element); setScene(table); setRenderHint(QPainter::Antialiasing); setWindowTitle(tr("Periodic Table")); resize(490, 270); connect(table, SIGNAL(elementChanged(int)), this, SLOT(elementClicked(int))); } PeriodicTableView::~PeriodicTableView() { delete scene(); } void PeriodicTableView::setElement(int element_) { m_element = element_; auto* table = qobject_cast(scene()); if (table) table->changeElement(element_); } void PeriodicTableView::elementClicked(int id) { m_element = id; emit(elementChanged(id)); } void PeriodicTableView::mouseDoubleClickEvent(QMouseEvent*) { close(); } void PeriodicTableView::clearKeyPressBuffer() { m_keyPressBuffer.clear(); } void PeriodicTableView::keyPressEvent(QKeyEvent* event_) { if (m_keyPressBuffer.isEmpty()) { // This is the first character typed. // Wait for 2 seconds, then clear the buffer, // this ensures we can get multi-character elements. QTimer::singleShot(2000, this, SLOT(clearKeyPressBuffer())); } if (event_->key() == Qt::Key_Escape || event_->key() == Qt::Key_Return || event_->key() == Qt::Key_Enter) { close(); return; } // check for arrow keys int elem = m_element; if (event_->key() == Qt::Key_Left) { elem -= 1; } else if (event_->key() == Qt::Key_Right) { elem += 1; } else if (event_->key() == Qt::Key_Up) { // What row are we? if (elem == 3) { // ignore other 2nd row elem = 1; } else if (elem >= 10 && elem <= 20) { elem -= 8; } else if (elem >= 21 && elem <= 30) { // nothing to do, top row of transition metals } else if (elem >= 31 && elem <= 56) { elem -= 18; // go up a row } else if (elem >= 57 && elem <= 70) { // nothing to do, top row of lanthanides } else if (elem >= 71 && elem <= 118) { elem -= 32; // go up a row } } else if (event_->key() == Qt::Key_Down) { // What row are we? if (elem == 1) { elem = 3; } else if (elem == 2) { elem = 10; } else if (elem >= 3 && elem <= 12) { elem += 8; // down one row } else if (elem >= 13 && elem <= 38) { elem += 18; // down one row } else if (elem >= 39 && elem <= 86) { elem += 32; // down one row } else if (elem >= 87 && elem <= 118) { // last row, nothing to do } } else { // This is a normal character. m_keyPressBuffer += event_->text(); // Try setting an element symbol from this string. elem = m_keyPressBuffer.toInt(); if (elem <= 0 || elem > 119) { // Not a valid number, have we tried 2- and 3-character symbols? if (m_keyPressBuffer.length() > 3) { clearKeyPressBuffer(); } else { // try parsing as a symbol .. first character should be uppercase m_keyPressBuffer[0] = m_keyPressBuffer[0].toUpper(); elem = static_cast( Elements::atomicNumberFromSymbol(m_keyPressBuffer.toLatin1().data())); } } } // got a valid symbol if (elem > 0 && elem < 119) setElement(elem); QGraphicsView::keyPressEvent(event_); } void PeriodicTableView::resizeEvent(QResizeEvent* e) { double scale_(double(e->size().width()) / 500.0); QTransform scaleTransform(QTransform::fromScale(scale_, scale_)); setTransform(scaleTransform); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/periodictableview.h000066400000000000000000000043751516317240700263100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERIODICTABLEVIEW_H #define AVOGADRO_QTGUI_PERIODICTABLEVIEW_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { /** * @class PeriodicTableView periodictableview.h * * @author Marcus D. Hanwell * @brief This class implements the view of the periodic table showing all * elements. * * This is the class that actually draws the widget onto screen. This is * the class that should normally be instantiated in order to display a * Periodic Table. */ class AVOGADROQTGUI_EXPORT PeriodicTableView : public QGraphicsView { Q_OBJECT public: /** * Constructor - constructs a new PeriodicTableView with an internal instance * of PeriodicTableScene. */ explicit PeriodicTableView(QWidget* parent_ = nullptr); ~PeriodicTableView() override; /** * @return The currently selected element. */ int element() const { return m_element; } public slots: /** * @param element_ The currently selected element. */ void setElement(int element_); /** * This slot is called to clear the key buffer (e.g. after a delay in typing). */ void clearKeyPressBuffer(); private slots: /** * Use this slot to change the active element. */ void elementClicked(int element); signals: /** * Signal emitted when the active element in the PeriodicTableView changes. */ void elementChanged(int element); protected: /** * Double click event - select an element and hide the PeriodicTableView. */ void mouseDoubleClickEvent(QMouseEvent* event) override; /** * Handles the keyboard events to change the active element. */ void keyPressEvent(QKeyEvent* event_) override; /** * Handle resize events. */ void resizeEvent(QResizeEvent* event) override; private: /** * Proton number of the active element. */ int m_element; QString m_keyPressBuffer; }; } // namespace QtGui } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/persistentatom.h000066400000000000000000000067651516317240700256750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERSISTENTATOM_H #define AVOGADRO_QTGUI_PERSISTENTATOM_H #include namespace Avogadro { namespace QtGui { /** * @class PersistentAtom persistentatom.h * @brief The PersistentAtom object provides a container for a persistent atom * reference that can be held onto. The atom() method gets the underlying atom * using the unique ID mechanism of the molecule. */ template class PersistentAtom { public: typedef Molecule_T MoleculeType; typedef typename Molecule_T::AtomType AtomType; /** * @brief Create a persistent atom, with the specified unique id. * @param m The molecule the persistent atom belongs to. * @param uniqueId The unique identifier for the atom. */ explicit PersistentAtom(MoleculeType* m = nullptr, Index uniqueId = MaxIndex) : m_molecule(m), m_uniqueId(uniqueId) { } /** * @brief Create a persistent atom from a standard atom object. * @param a The atom that a persistent reference should be created for. */ explicit PersistentAtom(const AtomType& a); /** * @brief Set the molecule and unique ID for the persistent object. * @param m The molecule that contains the atom. * @param uniqueId The unique ID of the atom. */ void set(MoleculeType* m, Index uniqueId); /** * @brief Set the persistent atom from a standard atom object. * @param a The atom that a persistent reference should be created for. */ void set(const AtomType& a); /** * @brief Reset the object to an invalid state. */ void reset(); /** * @return True if the persistent atom is valid. */ bool isValid() const; /** * @return The molecule the atom is a part of. */ MoleculeType* molecule() const { return m_molecule; } /** * @brief The persistent unique ID of the atom. * @return The unique ID of the atom. */ Index uniqueIdentifier() const { return m_uniqueId; } /** * @brief Obtain the atom being held by the persistent object. * @return A reference to the atom held by the object. */ AtomType atom() const; private: MoleculeType* m_molecule; Index m_uniqueId; }; template PersistentAtom::PersistentAtom(const AtomType& a) : m_molecule(dynamic_cast(a.molecule())) { m_uniqueId = m_molecule ? m_molecule->atomUniqueId(a) : MaxIndex; } template void PersistentAtom::set(MoleculeType* m, Index uniqueId) { m_molecule = m; m_uniqueId = uniqueId; } template void PersistentAtom::set(const AtomType& a) { m_molecule = dynamic_cast(a.molecule()); m_uniqueId = m_molecule ? m_molecule->atomUniqueId(a) : MaxIndex; } template void PersistentAtom::reset() { set(nullptr, MaxIndex); } template bool PersistentAtom::isValid() const { return atom().isValid(); } template typename Molecule_T::AtomType PersistentAtom::atom() const { return m_molecule ? m_molecule->atomByUniqueId(m_uniqueId) : AtomType(); } } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_PERSISTENTATOM_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/persistentbond.h000066400000000000000000000067651516317240700256570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERSISTENTBOND_H #define AVOGADRO_QTGUI_PERSISTENTBOND_H #include namespace Avogadro { namespace QtGui { /** * @class PersistentBond persistentbond.h * @brief The PersistentBond object provides a container for a persistent bond * reference that can be held onto. The bond() method gets the underlying bond * using the unique ID mechanism of the molecule. */ template class PersistentBond { public: typedef Molecule_T MoleculeType; typedef typename Molecule_T::BondType BondType; /** * @brief Create a persistent bond, with the specified unique id. * @param m The molecule the persistent bond belongs to. * @param uniqueId The unique identifier for the bond. */ explicit PersistentBond(MoleculeType* m = nullptr, Index uniqueId = MaxIndex) : m_molecule(m), m_uniqueId(uniqueId) { } /** * @brief Create a persistent bond from a standard bond object. * @param b The bond that a persistent reference should be created for. */ explicit PersistentBond(const BondType& b); /** * @brief Set the molecule and unique ID for the persistent object. * @param m The molecule that contains the bond. * @param uniqueId The unique ID of the bond. */ void set(MoleculeType* m, Index uniqueId); /** * @brief Set the persistent bond from a standard bond object. * @param b The bond that a persistent reference should be created for. */ void set(const BondType& b); /** * @brief Reset the object to an invalid state. */ void reset(); /** * @return True if the persistent bond is valid. */ bool isValid() const; /** * @return The molecule the bond is a part of. */ MoleculeType* molecule() const { return m_molecule; } /** * @brief The persistent unique ID of the bond. * @return The unique ID of the bond. */ Index uniqueIdentifier() const { return m_uniqueId; } /** * @brief Obtain the bond being held by the persistent object. * @return A reference to the bond held by the object. */ BondType bond() const; private: MoleculeType* m_molecule; Index m_uniqueId; }; template PersistentBond::PersistentBond(const BondType& b) : m_molecule(dynamic_cast(b.molecule())) { m_uniqueId = m_molecule ? m_molecule->bondUniqueId(b) : MaxIndex; } template void PersistentBond::set(MoleculeType* m, Index uniqueId) { m_molecule = m; m_uniqueId = uniqueId; } template void PersistentBond::set(const BondType& b) { m_molecule = dynamic_cast(b.molecule()); m_uniqueId = m_molecule ? m_molecule->bondUniqueId(b) : MaxIndex; } template void PersistentBond::reset() { set(nullptr, MaxIndex); } template bool PersistentBond::isValid() const { return bond().isValid(); } template typename Molecule_T::BondType PersistentBond::bond() const { return m_molecule ? m_molecule->bondByUniqueId(m_uniqueId) : BondType(); } } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_PERSISTENTBOND_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/pluginlayermanager.cpp000066400000000000000000000103441516317240700270210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pluginlayermanager.h" #include #include #include #include #include namespace Avogadro::QtGui { using std::string; using std::vector; PluginLayerManager::PluginLayerManager(const string& name) : m_name(name) {} PluginLayerManager::~PluginLayerManager() { for (auto& info : m_molToInfo) { auto itEnable = info.second->enable.find(m_name); if (itEnable != info.second->enable.end()) { info.second->enable.erase(itEnable); } auto itSettings = info.second->settings.find(m_name); if (itSettings != info.second->settings.end()) { info.second->settings.erase(itSettings); } } } bool PluginLayerManager::isEnabled() const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr || m_molToInfo[m_activeMolecule]->enable.find(m_name) == m_molToInfo[m_activeMolecule]->enable.end()) { return false; } for (const auto& b : m_molToInfo[m_activeMolecule]->enable[m_name]) { if (b) { return true; } } return false; } bool PluginLayerManager::isActiveLayerEnabled() const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr || m_molToInfo[m_activeMolecule]->enable.find(m_name) == m_molToInfo[m_activeMolecule]->enable.end()) { return false; } auto& molecule = m_molToInfo[m_activeMolecule]; size_t active = molecule->layer.activeLayer(); if (active < molecule->enable[m_name].size()) { return molecule->enable[m_name][active]; } return false; } void PluginLayerManager::setEnabled(bool enable) { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr) { return; } auto& molecule = m_molToInfo[m_activeMolecule]; auto it = molecule->enable.find(m_name); if (it == molecule->enable.end()) { molecule->enable[m_name] = vector(); } size_t qttyLayers = molecule->layer.layerCount(); if (molecule->enable[m_name].size() != qttyLayers) { molecule->enable[m_name].resize(qttyLayers, false); } size_t activeLayer = molecule->layer.activeLayer(); molecule->enable[m_name][activeLayer] = enable; } bool PluginLayerManager::atomEnabled(Index atom) const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr || m_molToInfo[m_activeMolecule]->enable.find(m_name) == m_molToInfo[m_activeMolecule]->enable.end()) { return false; } auto& molecule = m_molToInfo[m_activeMolecule]; size_t layer = molecule->layer.getLayerID(atom); if (layer == MaxIndex) { return false; } return layer < molecule->enable[m_name].size() && molecule->enable[m_name][layer] && molecule->visible[layer]; } size_t PluginLayerManager::getLayerID(Index atom) const { assert(m_activeMolecule != nullptr); auto& molecule = m_molToInfo[m_activeMolecule]; assert(atom < molecule->layer.atomCount()); return molecule->layer.getLayerID(atom); } bool PluginLayerManager::atomEnabled(size_t layerFilter, Index atom) const { bool enabled = atomEnabled(atom); if (!enabled) { return false; } auto& molecule = m_molToInfo[m_activeMolecule]; size_t layer = molecule->layer.getLayerID(atom); return layer == layerFilter; } bool PluginLayerManager::bondEnabled(Index atom1, Index atom2) const { return atomEnabled(atom1) || atomEnabled(atom2); } bool PluginLayerManager::activeLayerLocked() const { assert(m_activeMolecule != nullptr); auto& molecule = m_molToInfo[m_activeMolecule]; size_t active = molecule->layer.activeLayer(); return molecule->locked[active]; } bool PluginLayerManager::atomLocked(size_t atom) const { assert(m_activeMolecule != nullptr); auto& molecule = m_molToInfo[m_activeMolecule]; size_t layer = molecule->layer.getLayerID(atom); return molecule->locked[layer]; } size_t PluginLayerManager::layerCount() const { return LayerManager::layerCount(); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/pluginlayermanager.h000066400000000000000000000063601516317240700264710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_LAYERMANAGER_H #define AVOGADRO_QTGUI_LAYERMANAGER_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace QtGui { /** * @class PluginLayerManager pluginlayermanager.h * * @brief The PluginLayerManager class is a set of common layer dependent * operators useful for Layer dependent QtPlugins. */ class AVOGADROQTGUI_EXPORT PluginLayerManager : protected Core::LayerManager { public: PluginLayerManager(const std::string& name = "undef"); ~PluginLayerManager(); /** @return if the active layer in the molecule is locked. */ bool activeLayerLocked() const; bool atomLocked(size_t atom) const; /** check if there's existent data in the key and reload it in the custom * class. */ template void load() { if (m_activeMolecule != nullptr) { auto& info = m_molToInfo[m_activeMolecule]; if (info->loaded.find(m_name) == info->loaded.end()) { for (size_t i = 0; i < info->settings[m_name].size(); ++i) { auto serial = info->settings[m_name][i]->getSave(); if (serial != "") { T* aux = new T; aux->deserialize(serial); delete info->settings[m_name][i]; info->settings[m_name][i] = aux; } } info->loaded.insert(m_name); } } } /** @return if the plugin is enabled in any layer */ bool isEnabled() const; /** @return if the plugin is enabled in the active layer */ bool isActiveLayerEnabled() const; /** set active layer @p enable */ void setEnabled(bool enable); /** @return @p atom layer enabled globally and in plugin */ bool atomEnabled(Index atom) const; /** @return @p atom layer enabled globally, in plugin and in @p layer */ bool atomEnabled(size_t layer, Index atom) const; /** @return if @p atom1 or @p atom2 is enabled */ bool bondEnabled(Index atom1, Index atom2) const; /** @return layer id from @p atom */ size_t getLayerID(Index atom) const; /** @return layer count */ size_t layerCount() const; /** @return custom data T derived from LayerData. if @p layer is equal to * MaxIndex returns activeLayer */ template T* getSetting(size_t layer = MaxIndex) { auto info = m_molToInfo[m_activeMolecule]; if (layer == MaxIndex) { layer = info->layer.activeLayer(); } assert(layer <= info->layer.maxLayer()); if (info->settings.find(m_name) == info->settings.end()) { info->settings[m_name] = Core::Array(); } // do we need to create new layers in the array? while (info->settings[m_name].size() < layer + 1) { info->settings[m_name].push_back(new T()); } auto* result = static_cast(info->settings[m_name][layer]); return result; } private: // layer key identifier std::string m_name; }; } // namespace QtGui } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/pythonscript.cpp000066400000000000000000000317671516317240700257150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pythonscript.h" #include "avogadropython.h" #include "utilities.h" #include #include #include #include #include #include #include namespace Avogadro::QtGui { // Check whether the plugin directory has a usable pixi-managed python static bool hasDefaultPixiManifest(const QString& pluginDir) { if (!QDir(pluginDir + "/.pixi").exists()) return false; QString pythonPath = "/.pixi/envs/default/bin/"; #ifdef Q_OS_WIN pythonPath += "python.exe"; #else pythonPath += "python"; #endif QFileInfo python(pluginDir + pythonPath); return python.exists() && python.isExecutable(); } PythonScript::PythonScript(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_debug(!qgetenv("AVO_PYTHON_SCRIPT_DEBUG").isEmpty()), m_scriptFilePath(scriptFilePath_), m_process(nullptr) { setDefaultPythonInterpreter(); } PythonScript::PythonScript(QObject* parent_) : QObject(parent_), m_debug(!qgetenv("AVO_PYTHON_SCRIPT_DEBUG").isEmpty()), m_process(nullptr) { setDefaultPythonInterpreter(); } PythonScript::~PythonScript() {} void PythonScript::setScriptFilePath(const QString& scriptFile) { m_scriptFilePath = scriptFile; m_packageMode = false; m_packageDir.clear(); m_packageCommand.clear(); m_packageIdentifier.clear(); m_packageDisplayName.clear(); } void PythonScript::setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier, const QString& displayName) { m_packageDir = packageDir; m_packageCommand = command; m_packageIdentifier = identifier; m_packageDisplayName = displayName; m_packageMode = true; m_scriptFilePath.clear(); } void PythonScript::setDefaultPythonInterpreter() { if (m_pythonInterpreter.isEmpty()) { m_pythonInterpreter = QSettings().value(QStringLiteral("interpreters/python")).toString(); } if (m_pythonInterpreter.isEmpty()) // compiled-in default m_pythonInterpreter = pythonInterpreterPath; // check to see if the interpreter exists and is executable QFileInfo info(m_pythonInterpreter); if (!info.isExecutable()) { #ifndef NDEBUG qWarning() << "Python interpreter" << m_pythonInterpreter << "does not exist trying \"python\" in your path." << "Please set a path to the python interpreter."; #endif // let's try to find a python #ifdef Q_OS_WIN QString python("python.exe"); #else QString python("python3"); #endif QString path = Utilities::findExecutablePath(python); if (path.isEmpty()) { qWarning() << "Can't find python in your path"; } else { // add a "/" to the end path.append('/'); } m_pythonInterpreter = path + python; } // check if we have pixi #ifdef Q_OS_WIN QString pixi("pixi.exe"); #else QString pixi("pixi"); #endif m_pixi = Utilities::findExecutablePath(pixi); #ifndef NDEBUG if (m_pixi.isEmpty()) { qWarning() << "Can't find pixi in your path"; } #endif } QString PythonScript::resolveCommand(QStringList& realArgs, QProcess& proc) { // --- Package mode: pixi run [args] --- if (m_packageMode) { if (m_pixi.isEmpty()) { m_errors << tr("Package mode requires pixi but it was not found."); return QString(); } realArgs.prepend(m_packageIdentifier); realArgs.prepend(m_packageCommand); realArgs.prepend("--as-is"); realArgs.prepend("run"); proc.setWorkingDirectory(m_packageDir); #ifdef Q_OS_WIN return m_pixi + "/pixi.exe"; #else return m_pixi + "/pixi"; #endif } // --- Script file mode --- realArgs.prepend(m_scriptFilePath); // Check if the user installed the default pixi manifest QString pluginDir = QStandardPaths::writableLocation(QStandardPaths::AppLocalDataLocation); bool defaultManifest = hasDefaultPixiManifest(pluginDir); if (!defaultManifest || m_pixi.isEmpty()) { // Plain python — no pixi available return m_pythonInterpreter; } // Prepend "python" for .py scripts so pixi knows the interpreter if (m_scriptFilePath.endsWith(".py")) realArgs.prepend("python"); realArgs.prepend("--as-is"); // Check if the script directory (or its parent) has a .pixi directory QString scriptDirPath(QFileInfo(m_scriptFilePath).absolutePath()); bool hasPixiDir = QDir(scriptDirPath + "/.pixi").exists() || QDir(scriptDirPath + "/../.pixi").exists(); // Use the default manifest if the script doesn't have its own .pixi // directory and isn't in the user plugin directory (i.e., we bundled it) if (!pluginDir.isEmpty() && !hasPixiDir && !m_scriptFilePath.startsWith(pluginDir)) { #ifndef NDEBUG qDebug() << "Using manifest in" << pluginDir; #endif realArgs.prepend(pluginDir); realArgs.prepend("--manifest-path"); } else if (hasPixiDir || m_scriptFilePath.startsWith(pluginDir)) { proc.setWorkingDirectory(scriptDirPath); } else { if (m_debug) { qDebug() << "No valid pixi manifest configuration found for" << m_scriptFilePath; } return QString(); } realArgs.prepend("run"); #ifdef Q_OS_WIN return m_pixi + "/pixi.exe"; #else return m_pixi + "/pixi"; #endif } QByteArray PythonScript::execute(const QStringList& args, const QByteArray& scriptStdin) { clearErrors(); QProcess proc; proc.setProcessChannelMode(QProcess::SeparateChannels); QStringList realArgs(args); if (m_debug) realArgs.prepend(QStringLiteral("--debug")); realArgs.append("--lang"); realArgs.append(QLocale().name()); QString program = resolveCommand(realArgs, proc); if (program.isEmpty()) return QByteArray(); if (m_debug) { qDebug() << "Executing" << program << realArgs.join(QStringLiteral(" ")) << "<" << scriptStdin; if (!proc.workingDirectory().isEmpty()) qDebug() << "Working directory is" << proc.workingDirectory(); } proc.start(program, realArgs); // Write scriptStdin to the process's stdin if (!scriptStdin.isNull()) { if (!proc.waitForStarted(10000)) { m_errors << tr("Error running script '%1 %2': Timed out waiting for " "start (%3).") .arg(program, realArgs.join(QStringLiteral(" ")), processErrorString(proc)); return QByteArray(); } qint64 len = proc.write(scriptStdin); if (len != static_cast(scriptStdin.size()) && m_debug) { m_errors << tr("Error running script '%1 %2': failed to write to stdin " "(len=%3, wrote %4 bytes, QProcess error: %5).") .arg(program) .arg(realArgs.join(QStringLiteral(" "))) .arg(scriptStdin.size()) .arg(len) .arg(processErrorString(proc)); return QByteArray(); } proc.closeWriteChannel(); } if (!proc.waitForFinished(10000)) { if (m_debug) m_errors << tr("Error running script '%1 %2': Timed out waiting for " "finish (%3).") .arg(program, realArgs.join(QStringLiteral(" ")), processErrorString(proc)); proc.kill(); return QByteArray(); } if (proc.exitStatus() != QProcess::NormalExit || proc.exitCode() != 0) { if (m_debug) m_errors << tr("Error running script '%1 %2': Abnormal exit status %3 " "(%4: %5)\n\nOutput:\n%6") .arg(program) .arg(realArgs.join(QStringLiteral(" "))) .arg(proc.exitCode()) .arg(processErrorString(proc)) .arg(proc.errorString()) .arg(QString(proc.readAllStandardOutput()) + QString(proc.readAllStandardError())); else m_errors << tr("Warning '%1'").arg(proc.errorString()); return QByteArray(); } QByteArray result(proc.readAllStandardOutput()); QByteArray stderrOutput(proc.readAllStandardError()); if (m_debug) { if (!stderrOutput.isEmpty()) qDebug() << "Script stderr:" << stderrOutput; qDebug() << "Output:" << result; qDebug() << " Errors: " << m_errors; } return result; } void PythonScript::asyncExecute(const QStringList& args, const QByteArray& scriptStdin, bool mergedChannels, bool closeWriteChannel) { clearErrors(); if (m_process != nullptr) { m_process->terminate(); disconnect(m_process, SIGNAL(finished()), this, SLOT(processsFinished())); m_process->deleteLater(); } m_process = new QProcess(parent()); if (mergedChannels) m_process->setProcessChannelMode(QProcess::MergedChannels); QStringList realArgs(args); if (m_debug) realArgs.prepend(QStringLiteral("--debug")); realArgs.append("--lang"); realArgs.append(QLocale().name()); QString program = resolveCommand(realArgs, *m_process); if (program.isEmpty()) return; if (m_debug) { qDebug() << "Executing" << program << realArgs.join(QStringLiteral(" ")) << "<" << scriptStdin; if (!m_process->workingDirectory().isEmpty()) qDebug() << "Working directory is" << m_process->workingDirectory(); } m_process->start(program, realArgs); // Write scriptStdin to the process's stdin if (!scriptStdin.isNull()) { if (!m_process->waitForStarted(5000)) { m_errors << tr("Error running script '%1 %2': Timed out waiting for " "start (%3).") .arg(program, realArgs.join(QStringLiteral(" ")), processErrorString(*m_process)); return; } qint64 len = m_process->write(scriptStdin); if (len != static_cast(scriptStdin.size())) { m_errors << tr("Error running script '%1 %2': failed to write to stdin " "(len=%3, wrote %4 bytes, QProcess error: %5).") .arg(program) .arg(realArgs.join(QStringLiteral(" "))) .arg(scriptStdin.size()) .arg(len) .arg(processErrorString(*m_process)); return; } if (closeWriteChannel) m_process->closeWriteChannel(); } // let the script run connect(m_process, SIGNAL(finished(int, QProcess::ExitStatus)), this, SLOT(processFinished(int, QProcess::ExitStatus))); } void PythonScript::processFinished(int, QProcess::ExitStatus) { emit finished(); } void PythonScript::asyncTerminate() { if (m_process != nullptr) { disconnect(m_process, nullptr, nullptr, nullptr); m_process->kill(); m_process->deleteLater(); m_process = nullptr; } } QByteArray PythonScript::asyncWriteAndResponse(QByteArray input) { if (m_process == nullptr) return QByteArray(); m_process->write(input); QByteArray buffer; if (m_process->waitForReadyRead()) { while (m_process->canReadLine()) buffer += m_process->readLine(); } return buffer; } QByteArray PythonScript::asyncWriteAndResponseRaw(const QByteArray& input, int timeoutMs) { if (m_process == nullptr) { return QByteArray(); // wait } if (!input.isEmpty()) { const qint64 len = m_process->write(input); if (len != static_cast(input.size())) { m_errors << tr("Error writing raw request to script stdin (len=%1, wrote " "%2 bytes, QProcess error: %3).") .arg(input.size()) .arg(len) .arg(processErrorString(*m_process)); return QByteArray(); } } QByteArray buffer; if (!m_process->waitForReadyRead(timeoutMs)) { return buffer; } buffer += m_process->readAll(); // Keep draining while data arrives immediately (no artificial delay). while (m_process->waitForReadyRead(0)) { buffer += m_process->readAll(); } return buffer; } QByteArray PythonScript::asyncResponse() { if (m_process == nullptr || m_process->state() == QProcess::Running) return QByteArray(); return m_process->readAll(); } QString PythonScript::processErrorString(const QProcess& proc) const { QString result; switch (proc.error()) { case QProcess::FailedToStart: result = tr("Script failed to start."); break; case QProcess::Crashed: result = tr("Script crashed."); break; case QProcess::Timedout: result = tr("Script timed out."); break; case QProcess::ReadError: result = tr("Read error."); break; case QProcess::WriteError: result = tr("Write error."); break; default: case QProcess::UnknownError: result = tr("Unknown error."); break; } return result; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/pythonscript.h000066400000000000000000000143341516317240700253510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PYTHONSCRIPT_H #define AVOGADRO_QTGUI_PYTHONSCRIPT_H #include "avogadroqtguiexport.h" #include #include #include #include #include #include namespace Avogadro { namespace QtGui { /** * @brief The PythonScript class implements a interface for calling short-lived * python utility scripts. */ class AVOGADROQTGUI_EXPORT PythonScript : public QObject { Q_OBJECT public: /** * Constructors * @param scriptFilePath_ Absolute path to python script. * @{ */ explicit PythonScript(const QString& scriptFilePath_, QObject* parent_ = nullptr); explicit PythonScript(QObject* parent_ = nullptr); /**@}*/ ~PythonScript() override; /** * @return True if debugging of python I/O is enabled. */ bool debug() const { return m_debug; } /** * @return The path to the generator file. */ QString scriptFilePath() const { return m_scriptFilePath; } /** * Set the path to the input generator script file. This will reset any * cached data held by this class. */ void setScriptFilePath(const QString& scriptFile); /** * Enable package mode. In this mode, execute() runs * "pixi run [args]" with packageDir as the * working directory, instead of launching a script file via python. */ void setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier, const QString& displayName = QString()); /** * @return True if this script is in package mode. */ bool isPackageMode() const { return m_packageMode; } /** * @return The package directory (only meaningful in package mode). */ QString packageDir() const { return m_packageDir; } /** * @return The package command (only meaningful in package mode). */ QString packageCommand() const { return m_packageCommand; } /** * @return The package identifier (only meaningful in package mode). */ QString packageIdentifier() const { return m_packageIdentifier; } /** * @return The package display name from metadata, if one was provided. */ QString packageDisplayName() const { return m_packageDisplayName; } /** * @return True if an error is set. */ bool hasErrors() const { return !m_errors.isEmpty(); } /** * Reset the error counter. */ void clearErrors() { m_errors.clear(); } /** * @return A QStringList containing all errors that occurred in the last call * to the input generator script. */ QStringList errorList() const { return m_errors; } /** * Reset the python interpretor path. The following are checked, in order: * - The AVO_PYTHON_INTERPRETER environment variable * - The "interpreters/python" QSettings value * - The path specified in avogadropython.h. */ void setDefaultPythonInterpreter(); /** * Start a new process to execute: * " [args ...]", * optionally passing scriptStdin to the processes standard input. Returns * the standard output of the process when finished. */ QByteArray execute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()); /** * Start a new process to execute asynchronously * " [args ...]", * optionally passing scriptStdin to the processes standard input. * If @p closeWriteChannel is false, stdin remains open for follow-up writes. * * Will send asyncFinished() signal when finished */ void asyncExecute(const QStringList& args, const QByteArray& scriptStdin = QByteArray(), bool mergedChannels = true, bool closeWriteChannel = true); /** * Write input to the asynchronous process' standard input and return the * standard output when ready. Does not wait for the process to terminate * before returning (e.g. "server mode"). * * @param input The input to write to the process' standard input * @return The standard output of the process */ QByteArray asyncWriteAndResponse(QByteArray input); /** * Write input to the asynchronous process' standard input and return raw * bytes from stdout. Unlike asyncWriteAndResponse(), this does not require * line-oriented output and is suitable for framed binary protocols. */ QByteArray asyncWriteAndResponseRaw(const QByteArray& input, int timeoutMs = 5000); /** * Terminate the asynchronous process. */ void asyncTerminate(); /** * Returns the standard output of the asynchronous process when finished. */ QByteArray asyncResponse(); signals: /** * The asynchronous execution is finished or timed out */ void finished(); public slots: /** * Enable/disable debugging. */ void setDebug(bool d) { m_debug = d; } /** * Handle a finished process; */ void processFinished(int exitCode, QProcess::ExitStatus exitStatus); protected: bool m_debug; bool m_packageMode = false; QString m_pythonInterpreter; QString m_pixi; QString m_scriptFilePath; QString m_packageDir; QString m_packageCommand; QString m_packageIdentifier; QString m_packageDisplayName; QStringList m_errors; QProcess* m_process; private: /** * Resolve the executable and finalize the argument list for either * execute() or asyncExecute(). On entry @p realArgs already contains * the caller-supplied args plus --debug/--lang. On return @p realArgs * is fully prepended and @p proc has its working directory set. * @return The program path to pass to QProcess::start(), or an empty * string on error (m_errors will be populated). */ QString resolveCommand(QStringList& realArgs, QProcess& proc); QString processErrorString(const QProcess& proc) const; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_PYTHONSCRIPT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/qtgui.qrc000066400000000000000000000074561516317240700243010ustar00rootroot00000000000000 icons/fallback/32x32/cross-light.png icons/fallback/32x32/cross-dark.png icons/fallback/32x32/dashed-preview-light.png icons/fallback/32x32/dashed-preview-dark.png icons/fallback/32x32/document-close.png icons/fallback/32x32/document-export.png icons/fallback/32x32/document-import.png icons/fallback/32x32/document-new.png icons/fallback/32x32/document-open-recent.png icons/fallback/32x32/document-open.png icons/fallback/32x32/document-save-all.png icons/fallback/32x32/document-save-as.png icons/fallback/32x32/document-save.png icons/fallback/32x32/dots-light.png icons/fallback/32x32/dots-dark.png icons/fallback/32x32/edit-add.png icons/fallback/32x32/edit-copy.png icons/fallback/32x32/edit-cut.png icons/fallback/32x32/edit-paste.png icons/fallback/32x32/edit-delete.png icons/fallback/32x32/help-about.png icons/fallback/64x64/document-close.png icons/fallback/64x64/document-export.png icons/fallback/64x64/document-import.png icons/fallback/64x64/document-new.png icons/fallback/64x64/document-open-recent.png icons/fallback/64x64/document-open.png icons/fallback/64x64/document-save-all.png icons/fallback/64x64/document-save-as.png icons/fallback/64x64/document-save.png icons/fallback/64x64/edit-copy.png icons/fallback/64x64/edit-cut.png icons/fallback/64x64/edit-paste.png icons/fallback/64x64/help-about.png icons/fallback/32x32/lock-open-light.png icons/fallback/32x32/lock-open-dark.png icons/fallback/32x32/lock-light.png icons/fallback/32x32/lock-dark.png icons/fallback/32x32/plus-light.png icons/fallback/32x32/plus-dark.png icons/fallback/32x32/preview-light.png icons/fallback/32x32/preview-dark.png icons/fallback/index.theme icons/colormap/balance.png icons/colormap/balance@2x.png icons/colormap/bluedarkred.png icons/colormap/bluedarkred@2x.png icons/colormap/cividis.png icons/colormap/cividis@2x.png icons/colormap/coolwarm.png icons/colormap/coolwarm@2x.png icons/colormap/gray.png icons/colormap/gray@2x.png icons/colormap/hot.png icons/colormap/hot@2x.png icons/colormap/inferno.png icons/colormap/inferno@2x.png icons/colormap/magma.png icons/colormap/magma@2x.png icons/colormap/parula.png icons/colormap/parula@2x.png icons/colormap/plasma.png icons/colormap/plasma@2x.png icons/colormap/spectral.png icons/colormap/spectral@2x.png icons/colormap/turbo.png icons/colormap/turbo@2x.png icons/colormap/viridis.png icons/colormap/viridis@2x.png OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/richtextdelegate.cpp000066400000000000000000000045331516317240700264630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "richtextdelegate.h" #include namespace Avogadro::QtGui { // See for example // https://gist.github.com/jniemann66/dbc298b35a840bf3f1a2206ea6284c7b // and https://stackoverflow.com/a/66412883/131896 RichTextDelegate::RichTextDelegate(QObject* parent_) : QStyledItemDelegate(parent_) { } RichTextDelegate::~RichTextDelegate(){}; QSize RichTextDelegate::sizeHint(const QStyleOptionViewItem& o, const QModelIndex& index) const { QStyleOptionViewItem ov = o; initStyleOption(&ov, index); // Check after initStyleOption populates ov.text from the model if (ov.text.isEmpty()) { return QStyledItemDelegate::sizeHint(o, index); } QTextDocument doc; doc.setHtml(ov.text); doc.setTextWidth(ov.rect.width()); doc.setDefaultFont(ov.font); return QSize(std::ceil(doc.idealWidth()), std::ceil(doc.size().height())); } void RichTextDelegate::paint(QPainter* p, const QStyleOptionViewItem& o, const QModelIndex& index) const { QStyleOptionViewItem ov = o; initStyleOption(&ov, index); p->save(); QTextDocument doc; doc.setHtml(ov.text); doc.setDefaultFont(ov.font); ov.text = ""; ov.widget->style()->drawControl(QStyle::CE_ItemViewItem, &ov, p); // Calculate position based on alignment QSizeF docSize = doc.size(); qreal x = ov.rect.left(); qreal y = ov.rect.top(); // Get alignment from the style option (populated from Qt::TextAlignmentRole) Qt::Alignment alignment = ov.displayAlignment; // Horizontal alignment if (alignment & Qt::AlignHCenter) { x += (ov.rect.width() - docSize.width()) / 2.0; } else if (alignment & Qt::AlignRight) { x += ov.rect.width() - docSize.width(); } // Vertical alignment if (alignment & Qt::AlignVCenter) { y += (ov.rect.height() - docSize.height()) / 2.0; } else if (alignment & Qt::AlignBottom) { y += ov.rect.height() - docSize.height(); } p->translate(x, y); QRect clip(0, 0, ov.rect.width(), ov.rect.height()); doc.drawContents(p, clip); p->restore(); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/richtextdelegate.h000066400000000000000000000020121516317240700261160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_RICHTEXTDELEGATE_H #define AVOGADRO_QTPLUGINS_RICHTEXTDELEGATE_H #include #include #include #include "avogadroqtguiexport.h" namespace Avogadro { namespace QtGui { class AVOGADROQTGUI_EXPORT RichTextDelegate : public QStyledItemDelegate { Q_OBJECT public: explicit RichTextDelegate(QObject* parent = nullptr); ~RichTextDelegate() override; QSize sizeHint(const QStyleOptionViewItem& o, const QModelIndex& index) const override; void paint(QPainter* p, const QStyleOptionViewItem& o, const QModelIndex& index) const override; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_RICHTEXTDELEGATE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/rwlayermanager.cpp000066400000000000000000000206051516317240700261540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "rwlayermanager.h" #include "rwmolecule.h" #include #include #include #include #include namespace Avogadro::QtGui { using Core::Array; using Core::LayerData; using Core::MoleculeInfo; using std::map; using std::set; using std::shared_ptr; using std::string; using std::vector; namespace { class AddLayerCommand : public QUndoCommand { public: AddLayerCommand(shared_ptr mol) : QUndoCommand(QObject::tr("Modify Layers")), m_moleculeInfo(mol) { m_visible = true; m_locked = false; const auto activeLayer = m_moleculeInfo->layer.activeLayer(); // we loop through the layers to find enabled settings for the active layer for (const auto& names : m_moleculeInfo->enable) { bool value = names.second[activeLayer]; m_enable[names.first] = value; } // now we do the same thing for settings for (const auto& names : m_moleculeInfo->settings) { auto value = names.second[activeLayer]; m_settings[names.first] = value; } } void redo() override { m_moleculeInfo->visible.push_back(m_visible); m_moleculeInfo->locked.push_back(m_locked); // it's confusing to create an empty layer // .. so we just create a layer that matches the active layer for (const auto& enable : m_enable) { m_moleculeInfo->enable[enable.first].push_back(enable.second); } for (const auto& settings : m_settings) { // create newSettings pointer with the same type as settings.second auto* newSettings = settings.second->clone(); m_moleculeInfo->settings[settings.first].push_back(newSettings); } m_moleculeInfo->layer.addLayer(); } void undo() override { m_visible = m_moleculeInfo->visible.back(); m_locked = m_moleculeInfo->locked.back(); m_moleculeInfo->visible.pop_back(); m_moleculeInfo->locked.pop_back(); size_t qttyLayer = m_moleculeInfo->layer.layerCount(); for (auto& enable : m_moleculeInfo->enable) { if (enable.second.size() == qttyLayer) { m_enable[enable.first] = enable.second[enable.second.size() - 1]; enable.second.pop_back(); } } for (auto& setting : m_moleculeInfo->settings) { if (setting.second.size() == qttyLayer) { m_settings[setting.first] = setting.second[setting.second.size() - 1]; setting.second.pop_back(); } } m_moleculeInfo->layer.removeLayer(m_moleculeInfo->layer.maxLayer()); } protected: shared_ptr m_moleculeInfo; map m_enable; map m_settings; bool m_visible; bool m_locked; }; class ActiveLayerCommand : public QUndoCommand { public: ActiveLayerCommand(shared_ptr mol, size_t layer) : QUndoCommand(QObject::tr("Modify Layers")), m_moleculeInfo(mol), m_newActiveLayer(layer) { m_oldActiveLayer = m_moleculeInfo->layer.activeLayer(); } void redo() override { m_moleculeInfo->layer.setActiveLayer(m_newActiveLayer); } void undo() override { m_moleculeInfo->layer.setActiveLayer(m_oldActiveLayer); } protected: shared_ptr m_moleculeInfo; size_t m_oldActiveLayer; size_t m_newActiveLayer; }; class RemoveLayerCommand : public QUndoCommand { public: RemoveLayerCommand(shared_ptr mol, size_t layer) : QUndoCommand(QObject::tr("Modify Layers")), m_moleculeInfo(mol), m_layer(layer) { } void redo() override { m_visible = m_moleculeInfo->visible[m_layer]; m_moleculeInfo->visible.erase( std::next(m_moleculeInfo->visible.begin(), m_layer)); m_locked = m_moleculeInfo->locked[m_layer]; m_moleculeInfo->locked.erase( std::next(m_moleculeInfo->locked.begin(), m_layer)); for (auto& enable : m_moleculeInfo->enable) { if (m_layer < enable.second.size()) { m_enable[enable.first] = enable.second[m_layer]; enable.second.erase(std::next(enable.second.begin(), m_layer)); } } for (auto& setting : m_moleculeInfo->settings) { if (m_layer < setting.second.size()) { m_settings[setting.first] = setting.second[m_layer]; setting.second.erase(std::next(setting.second.begin(), m_layer)); } } m_moleculeInfo->layer.removeLayer(m_layer); } void undo() override { auto itVisible = m_moleculeInfo->visible.begin() + m_layer; m_moleculeInfo->visible.insert(itVisible, m_visible); auto itLocked = m_moleculeInfo->locked.begin() + m_layer; m_moleculeInfo->locked.insert(itLocked, m_locked); for (const auto& enable : m_enable) { auto itEnable = m_moleculeInfo->enable[enable.first].begin() + m_layer; m_moleculeInfo->enable[enable.first].insert(itEnable, enable.second); } for (const auto& setting : m_settings) { auto itSetting = m_moleculeInfo->settings[setting.first].begin() + m_layer; m_moleculeInfo->settings[setting.first].insert(itSetting, setting.second); } m_moleculeInfo->layer.addLayer(m_layer); } protected: shared_ptr m_moleculeInfo; size_t m_layer; bool m_visible; bool m_locked; map m_settings; map m_enable; }; } // namespace void RWLayerManager::removeLayer(size_t layer, RWMolecule* rwmolecule) { assert(m_activeMolecule != nullptr); assert(rwmolecule != nullptr); rwmolecule->undoStack().beginMacro(QObject::tr("Remove Layer")); auto atoms = rwmolecule->molecule().getAtomsAtLayer(layer); for (const Index& atom : atoms) { rwmolecule->removeAtom(atom); } auto& molecule = m_molToInfo[m_activeMolecule]; auto* comm = new RemoveLayerCommand(molecule, layer); comm->setText(QObject::tr("Remove Layer Info")); rwmolecule->undoStack().push(comm); rwmolecule->undoStack().endMacro(); } void RWLayerManager::addLayer(RWMolecule* rwmolecule) { assert(m_activeMolecule != nullptr); assert(rwmolecule != nullptr); rwmolecule->undoStack().beginMacro(QObject::tr("Add Layer")); auto& molecule = m_molToInfo[m_activeMolecule]; auto* comm = new AddLayerCommand(molecule); comm->setText(QObject::tr("Add Layer Info")); rwmolecule->undoStack().push(comm); rwmolecule->undoStack().endMacro(); } void RWLayerManager::setActiveLayer(size_t layer, RWMolecule* rwmolecule) { rwmolecule->undoStack().beginMacro(QObject::tr("Change Layer")); auto& molecule = m_molToInfo[m_activeMolecule]; auto* comm = new ActiveLayerCommand(molecule, layer); comm->setText(QObject::tr("Change Layer")); rwmolecule->undoStack().push(comm); rwmolecule->undoStack().endMacro(); } bool RWLayerManager::visible(size_t layer) const { return m_molToInfo[m_activeMolecule]->visible[layer]; } bool RWLayerManager::locked(size_t layer) const { return m_molToInfo[m_activeMolecule]->locked[layer]; } void RWLayerManager::flipVisible(size_t layer) { auto& molecule = m_molToInfo[m_activeMolecule]; molecule->visible[layer] = !molecule->visible[layer]; } void RWLayerManager::flipLocked(size_t layer) { auto& molecule = m_molToInfo[m_activeMolecule]; molecule->locked[layer] = !molecule->locked[layer]; } void RWLayerManager::addMolecule(const Core::Molecule* mol) { m_activeMolecule = mol; auto it = m_molToInfo.find(mol); if (it == m_molToInfo.end()) { m_molToInfo[mol] = std::make_shared(mol); } } Array> RWLayerManager::activeMoleculeNames() const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr) { return Array>(); } auto& molecule = m_molToInfo[m_activeMolecule]; size_t qttyLayer = molecule->layer.layerCount(); vector> active(qttyLayer, set()); for (const auto& names : molecule->enable) { for (size_t i = 0; i < names.second.size(); ++i) { if (names.second[i]) { active[i].insert(names.first); } } } Array> result; size_t layer = 0; for (const auto& names : active) { result.push_back(std::make_pair(layer, "Layer")); for (const auto& name : names) { result.push_back(std::make_pair(layer, name)); } ++layer; } return result; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/rwlayermanager.h000066400000000000000000000030731516317240700256210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_RWLAYERMANAGER_H #define AVOGADRO_QTGUI_RWLAYERMANAGER_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { class RWMolecule; /** * @class RWLayerManager rwlayermanager.h * @brief The RWLayerManager do and undo for layer actions. */ class AVOGADROQTGUI_EXPORT RWLayerManager : protected Core::LayerManager { public: void removeLayer(size_t layer, RWMolecule* rwmolecule); void addLayer(RWMolecule* rwmolecule); void setActiveLayer(size_t layer, RWMolecule* rwmolecule); /** @return if @p layer is visible */ bool visible(size_t layer) const; protected: /** @return if @p layer is locked */ bool locked(size_t layer) const; /** flip the visible value in layer */ void flipVisible(size_t layer); /** flip the locked value in layer */ void flipLocked(size_t layer); /** set mol as active molecule and add it if not exist */ void addMolecule(const Core::Molecule* mol); /** @return a sorted array by layer ID, containing the ID and the key name */ Core::Array> activeMoleculeNames() const; }; } // namespace QtGui } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/rwmolecule.cpp000066400000000000000000000610531516317240700253140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "rwmolecule.h" #include "rwmolecule_undo.h" #include #include #ifdef USE_SPGLIB #include #endif #include #include #include #include #include namespace Avogadro::QtGui { using Core::Array; using Core::AtomHybridization; using Core::CrystalTools; using Core::UnitCell; using std::swap; RWMolecule::RWMolecule(Molecule& mol, QObject* p) : QObject(p), m_molecule(mol), m_interactive(false) { } RWMolecule::~RWMolecule() {} RWMolecule::AtomType RWMolecule::addAtom(unsigned char num, bool usingPositions) { auto atomId = static_cast(m_molecule.atomCount()); auto atomUid = static_cast(m_molecule.m_atomUniqueIds.size()); auto* comm = new AddAtomCommand(*this, num, usingPositions, atomId, atomUid); comm->setText(tr("Add Atom")); m_undoStack.push(comm); return AtomType(this, atomId); } RWMolecule::AtomType RWMolecule::addAtom(unsigned char num, const Vector3& position3d) { // We will combine the actions in this command. m_undoStack.beginMacro(tr("Add Atom")); AtomType atom = addAtom(num); setAtomPosition3d(atomCount() - 1, position3d); m_undoStack.endMacro(); return atom; } Index RWMolecule::atomCount(unsigned char num) const { return m_molecule.atomCount(num); } bool RWMolecule::removeAtom(Index atomId) { if (atomId >= atomCount()) return false; Index uniqueId = findAtomUniqueId(atomId); if (uniqueId == MaxIndex) return false; // Lump all operations into a single undo command: m_undoStack.beginMacro(tr("Remove Atom")); // Remove any bonds containing this atom first. Array atomBonds = bonds(atomId); while (atomBonds.size()) { // Ensure that indices aren't invalidated as we remove them: assert("atomBonds have ascending indices" && (atomBonds.size() == 1 || ((atomBonds.end() - 2)->index() < (atomBonds.end() - 1)->index()))); removeBond(atomBonds.back()); atomBonds.pop_back(); } auto* comm = new RemoveAtomCommand( *this, atomId, uniqueId, atomicNumber(atomId), atomPosition3d(atomId)); comm->setText(tr("Remove Atom")); m_undoStack.push(comm); m_undoStack.endMacro(); return true; } void RWMolecule::clearAtoms() { m_undoStack.beginMacro(tr("Clear Atoms")); while (atomCount() != 0) removeAtom(0); m_undoStack.endMacro(); } void RWMolecule::adjustHydrogens(Index atomId) { RWAtom atom = this->atom(atomId); if (atom.isValid()) { m_undoStack.beginMacro(tr("Adjust Hydrogens")); QtGui::HydrogenTools::adjustHydrogens(atom); m_undoStack.endMacro(); } } void RWMolecule::adjustHydrogens(const Core::Array& atomIds) { m_undoStack.beginMacro(tr("Adjust Hydrogens")); // convert the indexes to unique ids // since we're adding and removing atoms // (so the index will change) Core::Array uniqueIds; for (auto id : atomIds) { Index uniqueId = findAtomUniqueId(id); if (uniqueId != MaxIndex) uniqueIds.push_back(uniqueId); } for (auto uniqueId : uniqueIds) { RWAtom atom = this->atomByUniqueId(uniqueId); if (atom.isValid()) { QtGui::HydrogenTools::adjustHydrogens(atom); } } m_undoStack.endMacro(); } bool RWMolecule::setAtomicNumbers(const Core::Array& nums) { if (nums.size() != m_molecule.atomCount()) return false; auto* comm = new SetAtomicNumbersCommand(*this, m_molecule.atomicNumbers(), nums); comm->setText(tr("Change Elements")); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomicNumber(Index atomId, unsigned char num) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomicNumberCommand(*this, atomId, m_molecule.atomicNumber(atomId), num); comm->setText(tr("Change Element")); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomPositions3d(const Core::Array& pos, const QString& undoText) { if (pos.size() != m_molecule.atomCount()) return false; auto* comm = new SetPositions3dCommand(*this, m_molecule.m_positions3d, pos); comm->setText(undoText); comm->setCanMerge(m_interactive); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomLabel(Index atomId, const std::string& label, const QString& undoText) { if (atomId >= atomCount()) return false; auto* comm = new ModifyAtomLabelCommand(*this, atomId, label); comm->setText(undoText); m_undoStack.push(comm); return true; } bool RWMolecule::setBondLabel(Index bondId, const std::string& label, const QString& undoText) { if (bondId >= bondCount()) return false; auto* comm = new ModifyBondLabelCommand(*this, bondId, label); comm->setText(undoText); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomPosition3d(Index atomId, const Vector3& pos, const QString& undoText) { if (atomId >= atomCount()) return false; if (m_molecule.m_positions3d.size() != m_molecule.atomCount()) m_molecule.m_positions3d.resize(m_molecule.atomCount(), Vector3::Zero()); auto* comm = new SetPosition3dCommand(*this, atomId, m_molecule.m_positions3d[atomId], pos); comm->setText(undoText); comm->setCanMerge(m_interactive); m_undoStack.push(comm); return true; } void RWMolecule::setAtomSelected(Index atomId, bool selected, const QString& undoText) { auto* comm = new ModifySelectionCommand(*this, atomId, selected); comm->setText(undoText); comm->setCanMerge(true); m_undoStack.push(comm); // m_molecule.setAtomSelected(atomId, selected); } bool RWMolecule::atomSelected(Index atomId) const { return m_molecule.atomSelected(atomId); } bool RWMolecule::setHybridization(Index atomId, Core::AtomHybridization hyb) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomicNumberCommand( *this, atomId, m_molecule.hybridization(atomId), hyb); comm->setText(tr("Change Atom Hybridization")); m_undoStack.push(comm); return true; } bool RWMolecule::setFormalCharge(Index atomId, signed char charge) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomFormalChargeCommand( *this, atomId, m_molecule.formalCharge(atomId), charge); comm->setText(tr("Change Atom Formal Charge")); m_undoStack.push(comm); return true; } bool RWMolecule::setIsotope(Index atomId, unsigned short isotope) { if (atomId >= atomCount()) return false; // TODO: implement an undo command m_molecule.setIsotope(atomId, isotope); return true; } bool RWMolecule::setColor(Index atomId, Vector3ub color) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomColorCommand(*this, atomId, m_molecule.color(atomId), color); comm->setText(tr("Change Atom Color")); m_undoStack.push(comm); return true; } bool RWMolecule::setResidueColor(Index residueId, Vector3ub color) { if (residueId >= m_molecule.residueCount()) return false; auto* comm = new SetResidueColorCommand( *this, residueId, m_molecule.residue(residueId).color(), color); comm->setText(tr("Change Residue Color")); m_undoStack.push(comm); return true; } bool RWMolecule::setLayer(Index atomId, size_t layer) { if (atomId >= atomCount()) return false; auto* comm = new SetLayerCommand(*this, atomId, m_molecule.layer(atomId), layer); comm->setText(tr("Change Atom Layer")); m_undoStack.push(comm); return true; } RWMolecule::BondType RWMolecule::addBond(Index atom1, Index atom2, unsigned char order) { if (atom1 == atom2 || std::max(atom1, atom2) >= atomCount()) return BondType(); Index bondId = bondCount(); auto bondUid = static_cast(m_molecule.m_bondUniqueIds.size()); auto* comm = new AddBondCommand( *this, order, Molecule::makeBondPair(atom1, atom2), bondId, bondUid); comm->setText(tr("Add Bond")); m_undoStack.push(comm); return BondType(this, bondId); } RWMolecule::BondType RWMolecule::bond(Index atom1, Index atom2) const { Molecule::BondType b = m_molecule.bond(atom1, atom2); if (b.isValid()) return BondType(const_cast(this), b.index()); else return BondType(); } bool RWMolecule::removeBond(Index bondId) { if (bondId >= bondCount()) return false; Index bondUid = findBondUniqueId(bondId); if (bondUid == MaxIndex) return false; auto* comm = new RemoveBondCommand(*this, bondId, bondUid, m_molecule.bondPair(bondId), m_molecule.bondOrder(bondId)); comm->setText(tr("Removed Bond")); m_undoStack.push(comm); return true; } void RWMolecule::clearBonds() { m_undoStack.beginMacro(tr("Clear Bonds")); while (bondCount() != 0) removeBond(0); m_undoStack.endMacro(); } bool RWMolecule::setBondOrders(const Core::Array& orders) { if (orders.size() != m_molecule.bondCount()) return false; auto* comm = new SetBondOrdersCommand(*this, m_molecule.bondOrders(), orders); comm->setText(tr("Set Bond Orders")); m_undoStack.push(comm); return true; } bool RWMolecule::setBondOrder(Index bondId, unsigned char order) { if (bondId >= bondCount()) return false; auto* comm = new SetBondOrderCommand(*this, bondId, m_molecule.bondOrder(bondId), order); comm->setText(tr("Change Bond Order")); // Always allow merging, but only if bondId is the same. comm->setCanMerge(true); m_undoStack.push(comm); return true; } bool RWMolecule::setBondPairs(const Array>& pairs) { if (pairs.size() != m_molecule.bondCount()) return false; // Correct any pairs that are ordered improperly: typedef std::pair BondPair; Array p(pairs); // Use for reading to prevent copies unless needed (Array is copy-on-write): const Array& p_const = p; for (size_t i = 0; i < p.size(); ++i) if (p_const[i].first > p_const[i].second) swap(p[i].first, p[i].second); auto* comm = new SetBondPairsCommand(*this, m_molecule.bondPairs(), p); comm->setText(tr("Update Bonds")); m_undoStack.push(comm); return true; } bool RWMolecule::setBondPair(Index bondId, const std::pair& pair) { if (bondId >= bondCount() || pair.first == pair.second) return false; SetBondPairCommand* comm = nullptr; if (pair.first < pair.second) { comm = new SetBondPairCommand(*this, bondId, m_molecule.bondPair(bondId), pair); } else { comm = new SetBondPairCommand(*this, bondId, m_molecule.bondPair(bondId), Molecule::makeBondPair(pair.first, pair.second)); } comm->setText(tr("Update Bond")); m_undoStack.push(comm); return true; } void RWMolecule::addUnitCell() { // If there is already a unit cell, there is nothing to do if (m_molecule.unitCell()) return; auto* cell = new UnitCell; cell->setCellParameters( static_cast(3.0), static_cast(3.0), static_cast(3.0), static_cast(90.0) * DEG_TO_RAD, static_cast(90.0) * DEG_TO_RAD, static_cast(90.0) * DEG_TO_RAD); m_molecule.setUnitCell(cell); auto* comm = new AddUnitCellCommand(*this, *m_molecule.unitCell()); comm->setText(tr("Add Unit Cell…")); m_undoStack.push(comm); emitChanged(Molecule::UnitCell | Molecule::Added); } void RWMolecule::removeUnitCell() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; auto* comm = new RemoveUnitCellCommand(*this, *m_molecule.unitCell()); comm->setText(tr("Remove Unit Cell")); m_undoStack.push(comm); m_molecule.setUnitCell(nullptr); emitChanged(Molecule::UnitCell | Molecule::Removed); } void RWMolecule::modifyMolecule(const Molecule& newMolecule, Molecule::MoleculeChanges changes, const QString& undoText) { auto* comm = new ModifyMoleculeCommand(*this, m_molecule, newMolecule); comm->setText(undoText); m_undoStack.push(comm); m_molecule = newMolecule; emitChanged(changes); } void RWMolecule::appendMolecule(const Molecule& mol, const QString& undoText) { // We add atoms and bonds, nothing else Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::Added); beginMergeMode(undoText); // loop through and add the atoms Index offset = atomCount(); for (size_t i = 0; i < mol.atomCount(); ++i) { Core::Atom atom = mol.atom(i); AtomType new_atom = addAtom(atom.atomicNumber(), atom.position3d()); new_atom.setFormalCharge(atom.formalCharge()); setAtomSelected(atomCount() - 1, true); } // now loop through and add the bonds for (size_t i = 0; i < mol.bondCount(); ++i) { Core::Bond bond = mol.bond(i); addBond(bond.atom1().index() + offset, bond.atom2().index() + offset, bond.order()); } // now loop through and add the resiudes for (size_t i = 0; i < mol.residueCount(); ++i) { const Core::Residue res = mol.residue(i); addResidue(res, offset); } endMergeMode(); emitChanged(changes); } void RWMolecule::addResidue(const Core::Residue& residue, Index offset) { // copy the residue name, chain, etc. std::string name = residue.residueName(); Index id = residue.residueId(); char chain = residue.chainId(); m_molecule.addResidue(name, id, chain); Core::Residue& newResidue = m_molecule.residue(m_molecule.residueCount() - 1); newResidue.setHeterogen(residue.isHeterogen()); newResidue.setSecondaryStructure(residue.secondaryStructure()); // now go through all the atoms and add them using the offset for (Core::Atom atom : residue.residueAtoms()) { // get the new index Index newIndex = atom.index() + offset; Core::Atom myAtom = m_molecule.atom(newIndex); // get the atom name std::string atomName = residue.atomName(atom); newResidue.addResidueAtom(atomName, myAtom); } } void RWMolecule::editUnitCell(Matrix3 cellMatrix, CrystalTools::Options options) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; if (!UnitCell::isRegular(cellMatrix)) { qWarning() << "cell matrix is singular"; return; } // Make a copy of the molecule to edit so we can store the old one // If the user has "TransformAtoms" set in the options, then // the atom positions will move as well. Molecule newMolecule = m_molecule; CrystalTools::setCellMatrix(newMolecule, cellMatrix, options); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Modified; // If TransformAtoms is set in the options, then the atoms may be modified // as well. if (options & CrystalTools::TransformAtoms) changes |= Molecule::Atoms | Molecule::Modified; QString undoText = tr("Edit Unit Cell"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::wrapAtomsToCell() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; Core::Array oldPos = m_molecule.atomPositions3d(); CrystalTools::wrapAtomsToUnitCell(m_molecule); Core::Array newPos = m_molecule.atomPositions3d(); auto* comm = new SetPositions3dCommand(*this, oldPos, newPos); comm->setText(tr("Wrap Atoms to Cell")); m_undoStack.push(comm); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; emitChanged(changes); } void RWMolecule::setCellVolume(double newVolume, CrystalTools::Options options) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // The unit cell and atom positions may change Molecule newMolecule = m_molecule; CrystalTools::setVolume(newMolecule, newVolume, options); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Modified; if (options & CrystalTools::TransformAtoms) changes |= Molecule::Atoms | Molecule::Modified; QString undoText = tr("Scale Cell Volume"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::buildSupercell(unsigned int a, unsigned int b, unsigned int c) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // The unit cell and atom positions may change Molecule newMolecule = m_molecule; CrystalTools::buildSupercell(newMolecule, a, b, c); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Modified | Molecule::Atoms | Molecule::Added; QString undoText = tr("Build Super Cell"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::niggliReduceCell() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // The unit cell and atom positions may change Molecule newMolecule = m_molecule; // We need to perform all three of these operations... CrystalTools::niggliReduce(newMolecule, CrystalTools::TransformAtoms); CrystalTools::rotateToStandardOrientation(newMolecule, CrystalTools::TransformAtoms); CrystalTools::wrapAtomsToUnitCell(newMolecule); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Modified; QString undoText = tr("Niggli Reduction"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::rotateCellToStandardOrientation() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Store a copy of the old molecule // The atom positions may move as well. Molecule newMolecule = m_molecule; CrystalTools::rotateToStandardOrientation(newMolecule, CrystalTools::TransformAtoms); // Since most components of the molecule will be modified (atom positions // and the unit cell), we will just modify the whole thing... Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Modified; QString undoText = tr("Rotate to Standard Orientation"); modifyMolecule(newMolecule, changes, undoText); } bool RWMolecule::reduceCellToPrimitive(double cartTol, double copyTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The unit cell, atom positions, and numbers of atoms may change Molecule newMolecule = m_molecule; #ifdef USE_SPGLIB if (!Core::AvoSpglib::reduceToPrimitive(newMolecule, cartTol)) return false; #else return false; #endif // Add boundary copies before committing, so it's a single undo step if (copyTol > 0.0) Core::SpaceGroups::fillTranslationalCopies(newMolecule, copyTol); // Since most components of the molecule will be modified, // we will just modify the whole thing... Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Added; QString undoText = tr("Reduce to Primitive"); modifyMolecule(newMolecule, changes, undoText); // Resize layer info to match the new atom count Core::LayerManager::getMoleculeInfo(&m_molecule) ->layer.resize(m_molecule.atomCount()); return true; } bool RWMolecule::conventionalizeCell(double cartTol, double copyTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The unit cell, atom positions, and numbers of atoms may all change Molecule newMolecule = m_molecule; #ifdef USE_SPGLIB if (!Core::AvoSpglib::conventionalizeCell(newMolecule, cartTol)) return false; #else return false; #endif // Add boundary copies before committing, so it's a single undo step if (copyTol > 0.0) Core::SpaceGroups::fillTranslationalCopies(newMolecule, copyTol); Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Added; QString undoText = tr("Conventionalize Cell"); modifyMolecule(newMolecule, changes, undoText); // Resize layer info to match the new atom count Core::LayerManager::getMoleculeInfo(&m_molecule) ->layer.resize(m_molecule.atomCount()); return true; } bool RWMolecule::symmetrizeCell(double cartTol, double copyTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The unit cell, atom positions, and numbers of atoms may all change Molecule newMolecule = m_molecule; #ifdef USE_SPGLIB if (!Core::AvoSpglib::symmetrize(newMolecule, cartTol)) return false; #else return false; #endif // Add boundary copies before committing, so it's a single undo step if (copyTol > 0.0) Core::SpaceGroups::fillTranslationalCopies(newMolecule, copyTol); Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Added; QString undoText = tr("Symmetrize Cell"); modifyMolecule(newMolecule, changes, undoText); // Resize layer info to match the new atom count Core::LayerManager::getMoleculeInfo(&m_molecule) ->layer.resize(m_molecule.atomCount()); return true; } bool RWMolecule::fillUnitCell(unsigned short hallNumber, double cartTol, bool allCopies) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The atom positions and numbers of atoms may change Molecule newMolecule = m_molecule; newMolecule.setHallNumber(hallNumber); Core::SpaceGroups::fillUnitCell(newMolecule, hallNumber, cartTol, true, allCopies); Molecule::MoleculeChanges changes = Molecule::Added | Molecule::Atoms; QString undoText = tr("Fill Unit Cell"); modifyMolecule(newMolecule, changes, undoText); return true; } bool RWMolecule::fillTranslationalCopies(double cartTol) { if (!m_molecule.unitCell()) return false; Molecule newMolecule = m_molecule; Core::SpaceGroups::fillTranslationalCopies(newMolecule, cartTol); Molecule::MoleculeChanges changes = Molecule::Added | Molecule::Atoms; QString undoText = tr("Fill Translational Copies"); modifyMolecule(newMolecule, changes, undoText); return true; } bool RWMolecule::reduceCellToAsymmetricUnit(unsigned short hallNumber, double cartTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The atom positions and numbers of atoms may change Molecule newMolecule = m_molecule; Core::SpaceGroups::reduceToAsymmetricUnit(newMolecule, hallNumber, cartTol); Molecule::MoleculeChanges changes = Molecule::Removed | Molecule::Atoms; QString undoText = tr("Reduce Cell to Asymmetric Unit"); modifyMolecule(newMolecule, changes, undoText); // Resize layer info to match the new atom count Core::LayerManager::getMoleculeInfo(&m_molecule) ->layer.resize(m_molecule.atomCount()); return true; } void RWMolecule::emitChanged(unsigned int change) { m_molecule.emitChanged(change); } Index RWMolecule::findAtomUniqueId(Index atomId) const { return m_molecule.findAtomUniqueId(atomId); } Index RWMolecule::findBondUniqueId(Index bondId) const { return m_molecule.findBondUniqueId(bondId); } bool RWMolecule::setForceVector(Index atomId, const Vector3& forces, const QString& undoText) { if (atomId >= atomCount()) return false; if (m_molecule.m_positions3d.size() != m_molecule.atomCount()) m_molecule.m_positions3d.resize(m_molecule.atomCount(), Vector3::Zero()); auto* comm = new SetForceVectorCommand( *this, atomId, m_molecule.m_positions3d[atomId], forces); comm->setText(undoText); comm->setCanMerge(m_interactive); m_undoStack.push(comm); return true; } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/rwmolecule.h000066400000000000000000000744471516317240700247740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_RWMOLECULE_H #define AVOGADRO_QTGUI_RWMOLECULE_H #include "avogadroqtguiexport.h" #include #include "molecule.h" //qtgui::Molecule #include "persistentatom.h" #include "persistentbond.h" #include #include #include #include #include #include #include #include #include namespace Avogadro { namespace QtGui { /** Concrete atom/bond proxy classes for RWMolecule. @{ */ class RWAtom; class RWBond; /** @} */ /** * @class RWMolecule rwmolecule.h * @brief The RWMolecule class is an editable molecule class that automatically * populates an undo stack. * * This class implements the molecule API and composes a QUndoStack * (undoStack()). New undo commands are automatically generated and push each * time a non-const method is called. * * An interactive mode is supported that causes "noisy" commands, such as * atom position changes, to be merged into a single command, saving memory * keeping the stack usable during interactive editing of the molecule. Use * setInteractive(bool) to toggle interactive mode. * * Similarly, multiple sequences of commands can be compressed into a single * named action using the QUndoStack's macro capability. Call * undoStack().beginMacro(tr("User Description Of Change")) to begin a macro, * and undoStack().endMacro() when finished. */ class AVOGADROQTGUI_EXPORT RWMolecule : public QObject { Q_OBJECT public: /** Typedef for Atom class. */ typedef RWAtom AtomType; /** Typedef for PersistentAtom class. */ typedef PersistentAtom PersistentAtomType; /** Typedef for Bond class. */ typedef RWBond BondType; /** Typedef for PersistentBond class. */ typedef PersistentBond PersistentBondType; /** Construct a molecule with the atoms/bonds of mol. */ explicit RWMolecule(Molecule& mol, QObject* parent = nullptr); ~RWMolecule() override; Molecule& molecule() { return m_molecule; } const Molecule& molecule() const { return m_molecule; } /** * Add a new atom to the molecule. * @param atomicNumber The atomic number of the new atom. * @param usingPositions Whether or not to use positions for this atom. * Default is true. Set to false if the atom * will not be using coordinates. * @return The new Atom object. */ AtomType addAtom(unsigned char atomicNumber, bool usingPositions = true); /** * Add a new atom to the molecule and set its position. * @param atomicNumber The atomic number of the new atom. * @param position3d The position of the atom. * @return The new Atom object. */ AtomType addAtom(unsigned char atomicNumber, const Vector3& position3d); /** * Obtain an atom object. * @param atomId The index of the atom to return. * @return The requested atom object. Will be invalid if @a atomId >= @a * atomCount(). */ AtomType atom(Index atomId) const; /** * Obtain an atom object from it's unique id. * @param atomUId The unique of the requested atom. * @return The requested atom object. Will be invalid if @a atomUId is not * in use. */ AtomType atomByUniqueId(Index atomUId) const; /** * @return The unique id of the atom. * @{ */ Index atomUniqueId(Index atomId) const; Index atomUniqueId(const AtomType& atom) const; /** @} */ /** * @return The number of atoms in the molecule. */ Index atomCount() const; /** * @return The number of atoms in the molecule with the atomic number @a * atomicNumber. */ Index atomCount(unsigned char atomicNumber) const; /** * Delete the specified atom from this molecule. * @return True on success, false otherwise. * @note This also removes all bonds connected to the atom. * @{ */ bool removeAtom(Index atomId); bool removeAtom(const AtomType& atom); /** @} */ /** * Delete all atoms from this molecule. * @note This also removes all bonds. */ void clearAtoms(); /** * Adjust hydrogens for an atom. * @param atomId The index of the atom. * @note Checks to make sure the atom is valid before adjusting the hydrogens. */ void adjustHydrogens(Index atomId); /** * Adjust hydrogens for multiple atoms. * @param atomIds The indices for the atoms. * @note Checks to make sure the atoms are valid before adjusting the * hydrogens. */ void adjustHydrogens(const Core::Array& atomIds); /** * @return An array containing atomic numbers for all atoms in the molecule, * indexed by atom index. */ const Core::Array& atomicNumbers() const; /** * Get the atomic number for the requested atom. * @param atomId The index of the atom. * @return The atomic number of the atom indexed at @a atomId, or * Avogadro::InvalidElement if @a atomId is invalid. */ unsigned char atomicNumber(Index atomId) const; /** * Replace the current array of atomic numbers. * @param nums The new atomic number array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomicNumbers(const Core::Array& nums); /** * Set the atomic number of a single atom. * @param atomId The index of the atom to modify. * @param atomicNumber The new atomic number. * @return True on success, false otherwise. */ bool setAtomicNumber(Index atomId, unsigned char atomicNumber); /** * @return An array containing 3D coordinates for all atoms in the molecule, * indexed by atom index. * @note May be empty if position information has not been set for any atoms. */ const Core::Array& atomPositions3d() const; /** * Get the 3D position of a single atom. * @param atomId The index of the atom. * @return The position of the atom, or Vector3::Zero() if no position * information has been set. */ Vector3 atomPosition3d(Index atomId) const; /** * Replace the current array of 3D atomic coordinates. * @param pos The new coordinate array. Must be of length atomCount(). * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setAtomPositions3d( const Core::Array& pos, const QString& undoText = tr("Change Atom Positions")); /** * Set the 3D position of a single atom. * @param atomId The index of the atom to modify. * @param pos The new position of the atom. * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setAtomPosition3d(Index atomId, const Vector3& pos, const QString& undoText = tr("Change Atom Position")); /** * Get the label on an atom. * @param atomId The index of the atom. * @return The label of the atom indexed at @a atomId, or an empty string if * @a atomId is invalid or has no label. */ std::string atomLabel(Index atomId) const; /** * Set the label of a single atom. * @param atomId The index of the atom to modify. * @param label The new label. * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setAtomLabel(Index atomId, const std::string& label, const QString& undoText = tr("Change Atom Label")); /** * Get the label on a bond * @param bondId The index of the bond. * @return The label of the bond indexed at @a bondId, or an empty string if * @a bondId is invalid or has no label. */ std::string bondLabel(Index bondId) const; /** * Set the label of a single bond. * @param bondId The index of the bond to modify. * @param label The new label. * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setBondLabel(Index bondId, const std::string& label, const QString& undoText = tr("Change Bond Label")); /** * Set whether the specified atom is selected or not. */ void setAtomSelected(Index atomId, bool selected, const QString& undoText = tr("Change Selection")); /** * Query whether the supplied atom index has been selected. */ bool atomSelected(Index atomId) const; bool setAtomPosition2d(Index, const Vector2&) { return false; } Vector2 atomPosition2d(Index) { return Vector2(0, 0); } const Core::Array& atomPositions2d() const { return m_molecule.m_positions2d; } /** * Get the hybridization for the requested atom. * @param atomId The index of the atom. * @return The hybridization of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ Core::AtomHybridization hybridization(Index atomId) const; /** * Set the hybridization of a single atom. * @param atomId The index of the atom to modify. * @param hyb The new hybridization. * @return True on success, false otherwise. */ bool setHybridization(Index atomId, Core::AtomHybridization hyb); /** * Get the formal charge for the requested atom. * @param atomId The index of the atom. * @return The formal charge of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ signed char formalCharge(Index atomId) const; /** * Set the formal charge of a single atom. * @param atomId The index of the atom to modify. * @param charge The new formal charge. * @return True on success, false otherwise. */ bool setFormalCharge(Index atomId, signed char charge); /** * Get the isotope for the requested atom. * @param atomId The index of the atom. * @return The isotope of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. (default is 0 for most common isotope) */ unsigned short isotope(Index atomId) const; /** * Set the isotope of a single atom. * @param atomId The index of the atom to modify. * @param isotope The new isotope * @return True on success, false otherwise. */ bool setIsotope(Index atomId, unsigned short isotope); /** * Get the color for the requested atom. * @param atomId The index of the atom. * @return The color of the atom indexed at @a atomId, or * (0, 0, 0) if @a atomId is invalid. If no color is set for the * given atomId, the default color for the atomic number of * the atomId is returned. */ Vector3ub color(Index atomId) const; /** * Set the color of a single atom. * @param atomId The index of the atom to modify. * @param color The new color. * @return True on success, false otherwise. */ bool setColor(Index atomId, Vector3ub color); /** * Set the color of a single residue. * @param residueId The index of the residue to modify. * @param color The new color. * @return True on success, false otherwise. */ bool setResidueColor(Index residueId, Vector3ub color); bool setLayer(Index atomId, size_t layer); size_t layer(Index atomId) const; /** * Create a new bond in the molecule. * @param atom1 The first atom in the bond. * @param atom2 The second order in the bond. * @param order The bond order. * @return The new bond object. Will be invalid if @a atom1 or @a atom2 does * not exist. * @{ */ BondType addBond(Index atom1, Index atom2, unsigned char order = 1); BondType addBond(const AtomType& atom1, const AtomType& atom2, unsigned char order = 1); /** @} */ /** * Get a bond object. * @param bondId The index of the requested bond. * @return The requested bond object. Will be invalid if @a bondId >= * @a bondCount(). */ BondType bond(Index bondId) const; /** * Get a bond object. * @param atom1 The index of one atom in the bond. * @param atom2 The index of the other atom in bond. * @return The requested bond object. Will be invalid if @a atom1 or @a atom2 * do not exist. */ BondType bond(Index atom1, Index atom2) const; /** * Get a bond object. * @param atom1 One atom in the bond. * @param atom2 The other atom in bond. * @return The requested bond object. Will be invalid if @a atom1 or @a atom2 * are invalid. */ BondType bond(const AtomType& atom1, const AtomType& atom2) const; /** * Get a bond object from its unique id. * @param bondUid The unique id of the bond. * @return The requested bond object. Will be invalid if @a bondUid is not in * use. */ BondType bondByUniqueId(Index bondUid) const; /** * Get the unique id of a bond. * @param bondId The index of the requested bond. * @return The unique id currently assigned to the bond at index @a bondId */ Index bondUniqueId(Index bondId) const; /** * Get the unique id of a bond. * @param bond The requested bond object. * @return The unique id currently assigned to @a bond. */ Index bondUniqueId(const BondType& bond) const; /** * @return The number of bonds in the molecule. */ Index bondCount() const; /** * Remove the requested bond. * @return True on success, false otherwise. * @{ */ bool removeBond(Index bondId); bool removeBond(const BondType& bond); bool removeBond(Index atom1, Index atom2); bool removeBond(const AtomType& atom1, const AtomType& atom2); /** @} */ /** * Remove all bonds from the molecule. */ void clearBonds(); /** * Find bonds connected to an atom. * @param atom The atom of interest. * @return An array of bond objects that are attached to the specified atom. */ Core::Array bonds(const AtomType& atom) const; /** * Find bonds connected to an atom. * @param atomId The index for the atom of interest. * @return An array of bond objects that are attached to the specified atom. */ Core::Array bonds(const Index& atomId) const; /** * @return An array of bond orders for all bonds in the molecule, indexed by * bond index. */ const Core::Array& bondOrders() const; /** * Get the order of a bond. * @param bondId The id of the bond. * @return The bond order. */ unsigned char bondOrder(Index bondId) const; /** * Replace the current array of bond orders. * @param orders The new array. * @return True on success, false on failure. */ bool setBondOrders(const Core::Array& orders); /** * Set the order of a bond in the molecule. * @param bondId The bond's index. * @param order The new order of the bond. * @return True on success, false on failure. */ bool setBondOrder(Index bondId, unsigned char order); /** * @return An array of all bonded atoms in the molecule, indexed by bond * index. * Each bond pair is represented by a pair of atom indices. */ const Core::Array>& bondPairs() const; /** * Get the set of bonded atoms corresponding to @a bondId. * @param bondId The index of the requested bond. * @return The bonded atom pair, represented as a pair of atom indices. */ std::pair bondPair(Index bondId) const; /** * Replace the current array of bonded atoms. * @param pairs The array. * @return True on success, false on failure. * @note The bonded atoms are represented as a pair of bond indices. * @note If needed, the elements in @a pairs will be modified to ensure that * the first atom index is less than the second. */ bool setBondPairs(const Core::Array>& pairs); /** * Set the bonded atoms for a bond. * @param bondId The bond to modify. * @param pair The new bond pair. * @return True on success, false otherwise. * @note If needed, @a pair will be modified to ensure that the first atom * index is less than the second. */ bool setBondPair(Index bondId, const std::pair& pair); /** * Add a default unit cell to the molecule. Does nothing if there already * is a unit cell. Changes are emitted. */ void addUnitCell(); /** * Remove the unit cell from the molecule. Does nothing if there is * no unit cell. Changes are emitted. */ void removeUnitCell(); /** * Add a residue to the molecule. * @param residue The residue to be added. * @param offset The atomic index offset for the new residue. */ void addResidue(const Core::Residue& residue, Index offset = 0); /** * Generic edit that changes the current molecule to be @a newMolecule. * Also sets the text for the undo command to be @a undoText. Changes are * emitted. * @param newMolecule The new molecule to be set. * @param changes The changes to be emitted. * @param undoText The text description for the undo command. */ void modifyMolecule( const Molecule& newMolecule, Molecule::MoleculeChanges changes, const QString& undoText = QStringLiteral("Modify Molecule")); /** * Generic edit that adds @a newMolecule to the current molecule. * Also sets the text for the undo command to be @a undoText. Changes are * emitted. * @param addMolecule The new molecule to be set. * @param undoText The text description for the undo command. */ void appendMolecule( const Molecule& addMolecule, const QString& undoText = QStringLiteral("Append Molecule")); /** * Edit the unit cell by replacing the current cell matrix with a new cell * matrix. Changes are emitted. * @param cellMatrix The new cell matrix to be set. * @param opts If TransformAtoms is specified, the atoms in @a molecule are * adjusted so that their fractional (lattice) coordinates are preserved. This * option is ignored if the input molecule has no unit cell. */ void editUnitCell(Matrix3 cellMatrix, Core::CrystalTools::Options opts); /** * Wrap atoms to the unit cell. Changes are emitted. */ void wrapAtomsToCell(); /** * Rotate cell to standard orientation. Changes are emitted. */ void rotateCellToStandardOrientation(); /** * Scale a cell's volume. Changes are emitted. * @param newVolume The new volume to be set. * @param options If CrystalTools::TransformAtoms is set, then * the atoms will be transformed during the scaling. */ void setCellVolume(double newVolume, Core::CrystalTools::Options options); /** * Build a supercell. Changes are emitted. * @param a The final number of units along the A vector (at least 1). * @param b The final number of units along the B vector (at least 1). * @param c The final number of units along the C vector (at least 1). */ void buildSupercell(unsigned int a, unsigned int b, unsigned int c); /** * Perform a Niggli reduction on the cell. Changes are emitted. */ void niggliReduceCell(); /** * Use spglib to reduce the cell to its primitive form. Changes are emitted. * @param cartTol Cartesian tolerance for primitive reduction. * @param copyTol If > 0, add translational boundary copies with this * tolerance in the same undo step. * @return True if the algorithm succeeded, and false if it failed. */ bool reduceCellToPrimitive(double cartTol = 1e-5, double copyTol = 0.0); /** * Use spglib to convert the cell to its conventional form. Changes are * emitted. * @param cartTol Cartesian tolerance for conventionalization. * @param copyTol If > 0, add translational boundary copies with this * tolerance in the same undo step. * @return True if the algorithm succeeded, and false if it failed. */ bool conventionalizeCell(double cartTol = 1e-5, double copyTol = 0.0); /** * Use spglib to symmetrize the cell. Changes are emitted. * @param cartTol Cartesian tolerance for symmetrization. * @param copyTol If > 0, add translational boundary copies with this * tolerance in the same undo step. * @return True if the algorithm succeeded, and false if it failed. */ bool symmetrizeCell(double cartTol = 1e-5, double copyTol = 0.0); /** * Fill unit cell using transforms for the space group. Changes are emitted. * @param hallNumber The hall number to be used for transforming the cell. * @param cartTol Cartesian tolerance for comparing atom positions. * @param allCopies If true, all copies will be filled (i.e. edges and * corners) * @return True if the algorithm succeeded, and false if it failed. */ bool fillUnitCell(unsigned short hallNumber, double cartTol = 1e-5, bool allCopies = false); /** * Add translational copies of atoms on the unit cell boundary without * applying symmetry operations. Changes are emitted. * @param cartTol Cartesian tolerance for comparing atom positions. * @return True if the algorithm succeeded, and false if it failed. */ bool fillTranslationalCopies(double cartTol = 1e-5); /** * Use transforms to reduce a cell to its asymmetric unit. Changes are * emitted. * @param hallNumber The hall number to be used for obtaining the transforms. * @param cartTol Cartesian tolerance for comparing atom positions. * @return True if the algorithm succeeded, and false if it failed. */ bool reduceCellToAsymmetricUnit(unsigned short hallNumber, double cartTol = 1e-5); /** * Call this function when you wish to merge all undo commands. * It turns on interactive mode to merge similar undo commands in a series * (in order to save space), and it uses QUndoStack's beginMacro() to merge * dissimilar undo commands together. You must call endMergeMode() to end * the merging section (undo and redo are unavailable while merge mode is * on). * @param undoName The name of the undo command */ void beginMergeMode(const QString& undoName = QStringLiteral("Draw")); /** * Call this function when you wish merge mode to end. This will turn off * interactive mode, and it will call QUndoStack's endMacro(). All of the * undo commands pushed between beginMergeMode() and endMergeMode() will be * merged into one undo command. beginMergeMode() should have been called * before this is called. */ void endMergeMode(); /** * @brief Begin or end an interactive edit. * * If enabled, certain undo operations will be merged together. For instance, * an editor dragging an atom through space in response to mouse movement will * only generate a single undo command containing the initial and final * positions and discard the intermediate states. If disabled, each * intermediate action will appear in the undo log. */ void setInteractive(bool b); /** * @return True if interactive mode is enabled, false otherwise. * @sa setInteractive */ bool isInteractive() const; /** * @return The QUndoStack for this molecule. * @{ */ QUndoStack& undoStack(); const QUndoStack& undoStack() const; /** @} */ class UndoCommand; friend class UndoCommand; /** Returns a vector of forces for the atoms in the molecule. */ const Core::Array& forceVectors() const; /** * Replace the current array of force vectors. * @param pos The new force vector array. Must be of length atomCount(). * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setForceVector( Index atomId, const Vector3& pos, const QString& undoText = QStringLiteral("Change Force Vectors")); public slots: /** * @brief Force the molecule to emit the changed() signal. * @param change See changed(). */ void emitChanged(unsigned int change); signals: /** * @brief Indicates that the molecule has changed. * @param change Use the MoleculeChange enum to check what has changed. * * The @p change variable indicates what has changed, i.e. if * change & Atoms == true then atoms were changed in some way, and if * change & Removed == true then one or more atoms were removed. */ void changed(unsigned int change); protected: Index findAtomUniqueId(Index atomId) const; Index findBondUniqueId(Index bondId) const; /** * @brief m_molecule still stored all data, this class acts upon it and builds * an undo/redo stack that can be used to offer undo and redo. */ Molecule& m_molecule; bool m_interactive; QUndoStack m_undoStack; friend class Molecule; }; class AVOGADROQTGUI_EXPORT RWAtom : public Core::AtomTemplate { public: RWAtom() : Core::AtomTemplate() {} RWAtom(RWMolecule* m, Index i) : Core::AtomTemplate(m, i) {} }; class AVOGADROQTGUI_EXPORT RWBond : public Core::BondTemplate { public: RWBond() : Core::BondTemplate() {} RWBond(RWMolecule* m, Index i) : Core::BondTemplate(m, i) {} }; inline RWMolecule::AtomType RWMolecule::atom(Index atomId) const { return AtomType(const_cast(this), atomId); } inline RWMolecule::AtomType RWMolecule::atomByUniqueId(Index atomUId) const { return atomUId < m_molecule.m_atomUniqueIds.size() ? AtomType(const_cast(this), m_molecule.m_atomUniqueIds[atomUId]) : AtomType(); } inline Index RWMolecule::atomUniqueId(Index atomId) const { return findAtomUniqueId(atomId); } inline Index RWMolecule::atomUniqueId(const RWMolecule::AtomType& a) const { return a.molecule() == this ? findAtomUniqueId(a.index()) : MaxIndex; } inline Index RWMolecule::atomCount() const { return m_molecule.atomCount(); } inline bool RWMolecule::removeAtom(const AtomType& a) { return a.molecule() == this ? removeAtom(a.index()) : false; } inline const Core::Array& RWMolecule::atomicNumbers() const { return m_molecule.atomicNumbers(); } inline unsigned char RWMolecule::atomicNumber(Index atomId) const { return m_molecule.atomicNumber(atomId); } inline const Core::Array& RWMolecule::atomPositions3d() const { return m_molecule.atomPositions3d(); } inline Vector3 RWMolecule::atomPosition3d(Index atomId) const { return m_molecule.atomPosition3d(atomId); } inline std::string RWMolecule::atomLabel(Index atomId) const { return m_molecule.atomLabel(atomId); } inline std::string RWMolecule::bondLabel(Index bondId) const { return m_molecule.bondLabel(bondId); } inline Core::AtomHybridization RWMolecule::hybridization(Index atomId) const { return m_molecule.hybridization(atomId); } inline signed char RWMolecule::formalCharge(Index atomId) const { return m_molecule.formalCharge(atomId); } inline unsigned short RWMolecule::isotope(Index atomId) const { return m_molecule.isotope(atomId); } inline Vector3ub RWMolecule::color(Index atomId) const { return m_molecule.color(atomId); } inline size_t RWMolecule::layer(Index atomId) const { return m_molecule.layer(atomId); } inline RWMolecule::BondType RWMolecule::addBond(const AtomType& atom1, const AtomType& atom2, unsigned char order) { if (atom1.molecule() != atom2.molecule() || atom1.molecule() != this) return BondType(); return addBond(atom1.index(), atom2.index(), order); } inline RWMolecule::BondType RWMolecule::bond(Index bondId) const { return BondType(const_cast(this), bondId); } inline RWMolecule::BondType RWMolecule::bond( const RWMolecule::AtomType& atom1, const RWMolecule::AtomType& atom2) const { if (atom1.molecule() == atom2.molecule() && atom1.molecule() == this) return bond(atom1.index(), atom2.index()); return BondType(); } inline RWMolecule::BondType RWMolecule::bondByUniqueId(Index bondUid) const { return bondUid < m_molecule.m_bondUniqueIds.size() ? BondType(const_cast(this), m_molecule.m_bondUniqueIds[bondUid]) : BondType(); } inline Index RWMolecule::bondUniqueId(Index bondId) const { return findBondUniqueId(bondId); } inline Index RWMolecule::bondUniqueId(const RWMolecule::BondType& b) const { return b.molecule() == this ? findBondUniqueId(b.index()) : MaxIndex; } inline Index RWMolecule::bondCount() const { return m_molecule.bondCount(); } inline bool RWMolecule::removeBond(const RWMolecule::BondType& b) { return b.molecule() == this ? removeBond(b.index()) : false; } inline bool RWMolecule::removeBond(Index atom1, Index atom2) { return removeBond(bond(atom1, atom2).index()); } inline bool RWMolecule::removeBond(const RWMolecule::AtomType& atom1, const RWMolecule::AtomType& atom2) { if (atom1.molecule() != atom2.molecule() || atom1.molecule() != this) return false; return removeBond(bond(atom1.index(), atom2.index()).index()); } inline Core::Array RWMolecule::bonds( const RWMolecule::AtomType& a) const { return a.molecule() == this ? bonds(a.index()) : Core::Array(); } inline Core::Array RWMolecule::bonds( const Index& atomId) const { auto atomBonds = m_molecule.bonds(atomId); Core::Array result; for (Index i = 0; i < atomBonds.size(); ++i) { result.push_back( BondType(const_cast(this), atomBonds[i].index())); } return result; } inline const Core::Array& RWMolecule::bondOrders() const { return m_molecule.bondOrders(); } inline unsigned char RWMolecule::bondOrder(Index bondId) const { return m_molecule.bondOrder(bondId); } inline const Core::Array>& RWMolecule::bondPairs() const { return m_molecule.bondPairs(); } inline std::pair RWMolecule::bondPair(Index bondId) const { return m_molecule.bondPair(bondId); } inline void RWMolecule::beginMergeMode(const QString& undoName) { m_interactive = true; m_undoStack.beginMacro(undoName); } inline void RWMolecule::endMergeMode() { m_interactive = false; m_undoStack.endMacro(); } inline void RWMolecule::setInteractive(bool b) { m_interactive = b; } inline bool RWMolecule::isInteractive() const { return m_interactive; } inline QUndoStack& RWMolecule::undoStack() { return m_undoStack; } inline const QUndoStack& RWMolecule::undoStack() const { return m_undoStack; } inline const Core::Array& RWMolecule::forceVectors() const { return m_molecule.forceVectors(); } } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_RWMOLECULE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/rwmolecule_undo.h000066400000000000000000000560051516317240700260070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_RWMOLECULE_UNDO_H #define AVOGADRO_QTGUI_RWMOLECULE_UNDO_H #include "rwmolecule.h" #include #include namespace Avogadro { namespace QtGui { using Core::Array; using Core::AtomHybridization; using Core::UnitCell; // Base class for all undo commands used by this class. // Used to expose molecule internals without needing to add explicit friendships // between all undo commands and the container. // Subclasses that want to support automatic merging should use the // MergeUndoCommand interface below. // Subclass implementations are inline in the code below. Specific undo // operations are kept near the RWMolecule methods that use them. class RWMolecule::UndoCommand : public QUndoCommand { public: UndoCommand(RWMolecule& m) : QUndoCommand(tr("Modify Molecule")), m_mol(m), m_molecule(m.m_molecule) { } protected: Array& positions3d() { return m_molecule.atomPositions3d(); } Array& atomUniqueIds() { return m_mol.m_molecule.atomUniqueIds(); } Array& bondUniqueIds() { return m_mol.m_molecule.bondUniqueIds(); } RWMolecule& m_mol; QtGui::Molecule& m_molecule; }; namespace { enum MergeIds { SetPositions3dMergeId = 0, SetPosition3dMergeId, SetForceVectorMergeId, SetBondOrderMergeId, ModifySelectionMergeId, ModifyColorsMergeId }; // Base class for undo commands that can be merged together, overriding the // "after" state of an old command with that of the new command. // Intended for use with RWMolecule's interactive mode. // To add a new class, add a new entry to the MergeIds enum above and use that // symbolic value as the template parameter. Implement the mergeWith() method // to update the "after" state. See SetPositions3dCommand for an example. template class MergeUndoCommand : public RWMolecule::UndoCommand { bool m_canMerge; public: MergeUndoCommand(RWMolecule& m) : UndoCommand(m), m_canMerge(false) {} void setCanMerge(bool merge) { m_canMerge = merge; } bool canMerge() const { return m_canMerge; } int id() const override { return m_canMerge ? Id : -1; } }; } // namespace namespace { class AddAtomCommand : public RWMolecule::UndoCommand { unsigned char m_atomicNumber; bool m_usingPositions; Index m_atomId; Index m_atomUid; size_t m_layer; public: AddAtomCommand(RWMolecule& m, unsigned char aN, bool usingPositions, Index atomId, Index uid) : UndoCommand(m), m_atomicNumber(aN), m_usingPositions(usingPositions), m_atomId(atomId), m_atomUid(uid) { m_layer = m_molecule.layer().activeLayer(); } void redo() override { assert(m_molecule.atomCount() == m_atomId); if (m_usingPositions) m_molecule.addAtom(m_atomicNumber, Vector3::Zero(), m_atomUid); else m_molecule.addAtom(m_atomicNumber, m_atomUid); m_molecule.layer().addAtom(m_layer, m_atomId); } void undo() override { assert(m_molecule.atomCount() == m_atomId + 1); m_layer = m_molecule.layer().getLayerID(m_atomId); m_molecule.removeAtom(m_atomId); } }; } // namespace namespace { class RemoveAtomCommand : public RWMolecule::UndoCommand { Index m_atomId; Index m_atomUid; unsigned char m_atomicNumber; Vector3 m_position3d; Array> m_bonds; Array m_orders; size_t m_layer; public: RemoveAtomCommand(RWMolecule& m, Index atomId, Index uid, unsigned char aN, const Vector3& pos) : UndoCommand(m), m_atomId(atomId), m_atomUid(uid), m_atomicNumber(aN), m_position3d(pos) { } void redo() override { assert(m_atomId < m_molecule.atomCount()); m_layer = m_molecule.layer().getLayerID(m_atomId); m_bonds = m_molecule.getAtomBonds(m_atomId); m_orders = m_molecule.getAtomOrders(m_atomId); m_molecule.removeAtom(m_atomId); } void undo() override { m_molecule.addAtom(m_atomicNumber, m_position3d, m_atomUid); // Swap the moved and unremoved atom data if needed Index movedId = m_mol.atomCount() - 1; m_molecule.layer().addAtom(m_layer, movedId); m_molecule.swapAtom(m_atomId, movedId); m_molecule.addBonds(m_bonds, m_orders); m_bonds.clear(); } }; } // namespace namespace { class SetAtomicNumbersCommand : public RWMolecule::UndoCommand { Core::Array m_oldAtomicNumbers; Core::Array m_newAtomicNumbers; public: SetAtomicNumbersCommand(RWMolecule& m, const Core::Array& oldAtomicNumbers, const Core::Array& newAtomicNumbers) : UndoCommand(m), m_oldAtomicNumbers(oldAtomicNumbers), m_newAtomicNumbers(newAtomicNumbers) { } void redo() override { m_molecule.setAtomicNumbers(m_newAtomicNumbers); } void undo() override { m_molecule.setAtomicNumbers(m_oldAtomicNumbers); } }; } // namespace namespace { class SetAtomicNumberCommand : public RWMolecule::UndoCommand { Index m_atomId; unsigned char m_oldAtomicNumber; unsigned char m_newAtomicNumber; public: SetAtomicNumberCommand(RWMolecule& m, Index atomId, unsigned char oldAtomicNumber, unsigned char newAtomicNumber) : UndoCommand(m), m_atomId(atomId), m_oldAtomicNumber(oldAtomicNumber), m_newAtomicNumber(newAtomicNumber) { } void redo() override { m_molecule.setAtomicNumber(m_atomId, m_newAtomicNumber); } void undo() override { m_molecule.setAtomicNumber(m_atomId, m_oldAtomicNumber); } }; } // namespace namespace { class SetPositions3dCommand : public MergeUndoCommand { Core::Array m_oldPositions3d; Core::Array m_newPositions3d; public: SetPositions3dCommand(RWMolecule& m, const Core::Array& oldPositions3d, const Core::Array& newPositions3d) : MergeUndoCommand(m), m_oldPositions3d(oldPositions3d), m_newPositions3d(newPositions3d) { } void redo() override { positions3d() = m_newPositions3d; } void undo() override { positions3d() = m_oldPositions3d; } bool mergeWith(const QUndoCommand* other) override { const SetPositions3dCommand* o = dynamic_cast(other); if (o) { m_newPositions3d = o->m_newPositions3d; return true; } return false; } }; } // namespace namespace { class SetPosition3dCommand : public MergeUndoCommand { Array m_atomIds; Array m_oldPosition3ds; Array m_newPosition3ds; public: SetPosition3dCommand(RWMolecule& m, Index atomId, const Vector3& oldPosition3d, const Vector3& newPosition3d) : MergeUndoCommand(m), m_atomIds(1, atomId), m_oldPosition3ds(1, oldPosition3d), m_newPosition3ds(1, newPosition3d) { } void redo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) positions3d()[m_atomIds[i]] = m_newPosition3ds[i]; } void undo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) positions3d()[m_atomIds[i]] = m_oldPosition3ds[i]; } bool mergeWith(const QUndoCommand* o) override { const SetPosition3dCommand* other = dynamic_cast(o); if (!other) return false; size_t numAtoms = other->m_atomIds.size(); if (numAtoms != other->m_oldPosition3ds.size() || numAtoms != other->m_newPosition3ds.size()) { return false; } for (size_t i = 0; i < numAtoms; ++i) { const Index& atomId = other->m_atomIds[i]; const Vector3& oldPos = other->m_oldPosition3ds[i]; const Vector3& newPos = other->m_newPosition3ds[i]; Array::const_iterator idsBegin = m_atomIds.begin(); Array::const_iterator idsEnd = m_atomIds.end(); Array::const_iterator match = std::find(idsBegin, idsEnd, atomId); if (match == idsEnd) { // Append a new atom: m_atomIds.push_back(atomId); m_oldPosition3ds.push_back(oldPos); m_newPosition3ds.push_back(newPos); } else { // Overwrite the existing movement: size_t offset = std::distance(idsBegin, match); assert(m_atomIds[offset] == atomId); m_newPosition3ds[offset] = newPos; } } return true; } }; } // namespace namespace { class SetAtomHybridizationCommand : public RWMolecule::UndoCommand { Index m_atomId; AtomHybridization m_oldHybridization; AtomHybridization m_newHybridization; public: SetAtomHybridizationCommand(RWMolecule& m, Index atomId, AtomHybridization oldHybridization, AtomHybridization newHybridization) : UndoCommand(m), m_atomId(atomId), m_oldHybridization(oldHybridization), m_newHybridization(newHybridization) { } void redo() override { m_molecule.setHybridization(m_atomId, m_newHybridization); } void undo() override { m_molecule.setHybridization(m_atomId, m_oldHybridization); } }; } // namespace namespace { class SetAtomFormalChargeCommand : public RWMolecule::UndoCommand { Index m_atomId; signed char m_oldCharge; signed char m_newCharge; public: SetAtomFormalChargeCommand(RWMolecule& m, Index atomId, signed char oldCharge, signed char newCharge) : UndoCommand(m), m_atomId(atomId), m_oldCharge(oldCharge), m_newCharge(newCharge) { } void redo() override { m_molecule.setFormalCharge(m_atomId, m_newCharge); } void undo() override { m_molecule.setFormalCharge(m_atomId, m_oldCharge); } }; } // namespace namespace { class SetAtomColorCommand : public RWMolecule::UndoCommand { Index m_atomId; Vector3ub m_oldColor; Vector3ub m_newColor; public: SetAtomColorCommand(RWMolecule& m, Index atomId, Vector3ub oldColor, Vector3ub newColor) : UndoCommand(m), m_atomId(atomId), m_oldColor(oldColor), m_newColor(newColor) { } void redo() override { m_molecule.setColor(m_atomId, m_newColor); } void undo() override { m_molecule.setColor(m_atomId, m_oldColor); } }; class SetResidueColorCommand : public RWMolecule::UndoCommand { Index m_residueId; Vector3ub m_oldColor; Vector3ub m_newColor; public: SetResidueColorCommand(RWMolecule& m, Index residueId, Vector3ub oldColor, Vector3ub newColor) : UndoCommand(m), m_residueId(residueId), m_oldColor(oldColor), m_newColor(newColor) { } void redo() override { m_molecule.residue(m_residueId).setColor(m_newColor); } void undo() override { m_molecule.residue(m_residueId).setColor(m_oldColor); } }; class SetLayerCommand : public RWMolecule::UndoCommand { Index m_atomId; size_t m_oldLayer; size_t m_newLayer; public: SetLayerCommand(RWMolecule& m, Index atomId, size_t oldLayer, size_t newLayer) : UndoCommand(m), m_atomId(atomId), m_oldLayer(oldLayer), m_newLayer(newLayer) { } void redo() override { m_molecule.setLayer(m_atomId, m_newLayer); } void undo() override { m_molecule.setLayer(m_atomId, m_oldLayer); } }; class AddBondCommand : public RWMolecule::UndoCommand { unsigned char m_bondOrder; std::pair m_bondPair; Index m_bondId; Index m_bondUid; public: AddBondCommand(RWMolecule& m, unsigned char order, const std::pair& bondPair, Index bondId, Index uid) : UndoCommand(m), m_bondOrder(order), m_bondPair(bondPair), m_bondId(bondId), m_bondUid(uid) { } void redo() override { assert(m_molecule.bondCount() == m_bondId); m_molecule.addBond(m_bondPair.first, m_bondPair.second, m_bondOrder); } void undo() override { // we know this is the top so just a simple remove m_molecule.removeBond(m_bondId); } }; } // namespace namespace { class RemoveBondCommand : public RWMolecule::UndoCommand { Index m_bondId; Index m_bondUid; std::pair m_bondPair; unsigned char m_bondOrder; public: RemoveBondCommand(RWMolecule& m, Index bondId, Index bondUid, const std::pair& bondPair, unsigned char bondOrder) : UndoCommand(m), m_bondId(bondId), m_bondUid(bondUid), m_bondPair(bondPair), m_bondOrder(bondOrder) { } void redo() override { m_molecule.removeBond(m_bondId); } void undo() override { m_molecule.addBond(m_bondPair.first, m_bondPair.second, m_bondOrder, m_bondUid); Index movedId = m_molecule.bondCount() - 1; m_molecule.swapBond(m_bondId, movedId); } }; } // namespace namespace { class SetBondOrdersCommand : public RWMolecule::UndoCommand { Array m_oldBondOrders; Array m_newBondOrders; public: SetBondOrdersCommand(RWMolecule& m, const Array& oldBondOrders, const Array& newBondOrders) : UndoCommand(m), m_oldBondOrders(oldBondOrders), m_newBondOrders(newBondOrders) { } void redo() override { m_molecule.setBondOrders(m_newBondOrders); } void undo() override { m_molecule.setBondOrders(m_oldBondOrders); } }; } // namespace namespace { class SetBondOrderCommand : public MergeUndoCommand { Index m_bondId; unsigned char m_oldBondOrder; unsigned char m_newBondOrder; public: SetBondOrderCommand(RWMolecule& m, Index bondId, unsigned char oldBondOrder, unsigned char newBondOrder) : MergeUndoCommand(m), m_bondId(bondId), m_oldBondOrder(oldBondOrder), m_newBondOrder(newBondOrder) { } void redo() override { m_molecule.setBondOrder(m_bondId, m_newBondOrder); } void undo() override { m_molecule.setBondOrder(m_bondId, m_oldBondOrder); } bool mergeWith(const QUndoCommand* other) override { const SetBondOrderCommand* o = dynamic_cast(other); // Only merge when the bondIds match. if (o && o->m_bondId == this->m_bondId) { this->m_newBondOrder = o->m_newBondOrder; return true; } return false; } }; } // namespace namespace { class SetBondPairsCommand : public RWMolecule::UndoCommand { Array> m_oldBondPairs; Array> m_newBondPairs; public: SetBondPairsCommand(RWMolecule& m, const Array>& oldBondPairs, const Array>& newBondPairs) : UndoCommand(m), m_oldBondPairs(oldBondPairs), m_newBondPairs(newBondPairs) { } void redo() override { m_molecule.setBondPairs(m_newBondPairs); } void undo() override { m_molecule.setBondPairs(m_oldBondPairs); } }; } // namespace namespace { class SetBondPairCommand : public RWMolecule::UndoCommand { Index m_bondId; std::pair m_oldBondPair; std::pair m_newBondPair; public: SetBondPairCommand(RWMolecule& m, Index bondId, const std::pair& oldBondPair, const std::pair& newBondPair) : UndoCommand(m), m_bondId(bondId), m_oldBondPair(oldBondPair), m_newBondPair(newBondPair) { } void redo() override { m_molecule.setBondPair(m_bondId, m_newBondPair); } void undo() override { m_molecule.setBondPair(m_bondId, m_oldBondPair); } }; } // namespace namespace { class AddUnitCellCommand : public RWMolecule::UndoCommand { UnitCell m_newUnitCell; public: AddUnitCellCommand(RWMolecule& m, const UnitCell& newUnitCell) : UndoCommand(m), m_newUnitCell(newUnitCell) { } void redo() override { m_mol.molecule().setUnitCell(new UnitCell(m_newUnitCell)); } void undo() override { m_mol.molecule().setUnitCell(nullptr); } }; } // namespace namespace { class RemoveUnitCellCommand : public RWMolecule::UndoCommand { UnitCell m_oldUnitCell; public: RemoveUnitCellCommand(RWMolecule& m, const UnitCell& oldUnitCell) : UndoCommand(m), m_oldUnitCell(oldUnitCell) { } void redo() override { m_mol.molecule().setUnitCell(nullptr); } void undo() override { m_mol.molecule().setUnitCell(new UnitCell(m_oldUnitCell)); } }; } // namespace namespace { class ModifyMoleculeCommand : public RWMolecule::UndoCommand { Molecule m_oldMolecule; Molecule m_newMolecule; public: ModifyMoleculeCommand(RWMolecule& m, const Molecule& oldMolecule, const Molecule& newMolecule) : UndoCommand(m), m_oldMolecule(oldMolecule), m_newMolecule(newMolecule) { } void redo() override { m_mol.molecule() = m_newMolecule; } void undo() override { m_mol.molecule() = m_oldMolecule; } }; } // namespace namespace { class SetForceVectorCommand : public MergeUndoCommand { Array m_atomIds; Array m_oldForceVectors; Array m_newForceVectors; public: SetForceVectorCommand(RWMolecule& m, Index atomId, const Vector3& oldForceVector, const Vector3& newForceVector) : MergeUndoCommand(m), m_atomIds(1, atomId), m_oldForceVectors(1, oldForceVector), m_newForceVectors(1, newForceVector) { } void redo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) m_molecule.setForceVector(m_atomIds[i], m_newForceVectors[i]); } void undo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) m_molecule.setForceVector(m_atomIds[i], m_oldForceVectors[i]); } bool mergeWith(const QUndoCommand* o) override { const SetForceVectorCommand* other = dynamic_cast(o); if (!other) return false; size_t numAtoms = other->m_atomIds.size(); if (numAtoms != other->m_oldForceVectors.size() || numAtoms != other->m_newForceVectors.size()) { return false; } for (size_t i = 0; i < numAtoms; ++i) { const Index& atomId = other->m_atomIds[i]; const Vector3& oldPos = other->m_oldForceVectors[i]; const Vector3& newPos = other->m_newForceVectors[i]; Array::const_iterator idsBegin = m_atomIds.begin(); Array::const_iterator idsEnd = m_atomIds.end(); Array::const_iterator match = std::find(idsBegin, idsEnd, atomId); if (match == idsEnd) { // Append a new atom: m_atomIds.push_back(atomId); m_oldForceVectors.push_back(oldPos); m_newForceVectors.push_back(newPos); } else { // Overwrite the existing movement: size_t offset = std::distance(idsBegin, match); assert(m_atomIds[offset] == atomId); m_newForceVectors[offset] = newPos; } } return true; } }; } // namespace namespace { class ModifyAtomLabelCommand : public RWMolecule::UndoCommand { Index m_atomId; std::string m_newLabel; std::string m_oldLabel; public: ModifyAtomLabelCommand(RWMolecule& m, Index atomId, const std::string& label) : UndoCommand(m), m_atomId(atomId), m_newLabel(label) { m_oldLabel = m_mol.molecule().atomLabel(m_atomId); } void redo() override { m_mol.molecule().setAtomLabel(m_atomId, m_newLabel); } void undo() override { m_mol.molecule().setAtomLabel(m_atomId, m_oldLabel); } }; } // namespace namespace { class ModifyBondLabelCommand : public RWMolecule::UndoCommand { Index m_bondId; std::string m_newLabel; std::string m_oldLabel; public: ModifyBondLabelCommand(RWMolecule& m, Index bondId, const std::string& label) : UndoCommand(m), m_bondId(bondId), m_newLabel(label) { m_oldLabel = m_mol.molecule().bondLabel(m_bondId); } void redo() override { m_mol.molecule().setBondLabel(m_bondId, m_newLabel); } void undo() override { m_mol.molecule().setBondLabel(m_bondId, m_oldLabel); } }; } // namespace namespace { class ModifySelectionCommand : public MergeUndoCommand { std::vector m_newSelectedAtoms; std::vector m_oldSelectedAtoms; public: ModifySelectionCommand(RWMolecule& m, Index atomId, bool selected) : MergeUndoCommand(m) { Index atomCount = m_mol.molecule().atomCount(); m_oldSelectedAtoms.resize(atomCount); m_newSelectedAtoms.resize(atomCount); for (Index i = 0; i < atomCount; ++i) { m_oldSelectedAtoms[i] = m_molecule.atomSelected(i); m_newSelectedAtoms[i] = m_molecule.atomSelected(i); } m_newSelectedAtoms[atomId] = selected; } void redo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_newSelectedAtoms[i]); } void undo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_oldSelectedAtoms[i]); } bool mergeWith(const QUndoCommand* other) override { const ModifySelectionCommand* o = dynamic_cast(other); if (!o) return false; // check if the atom count matches Index numAtoms = m_oldSelectedAtoms.size(); if (numAtoms != o->m_oldSelectedAtoms.size() || numAtoms != o->m_newSelectedAtoms.size()) return false; // merge these, by grabbing the new selected atoms m_newSelectedAtoms = o->m_newSelectedAtoms; return true; } }; } // namespace /* namespace { class ModifyColorCommand : public MergeUndoCommand { Array m_newSelectedAtoms; Array m_oldSelectedAtoms; public: ModifySelectionCommand(RWMolecule& m, Index atomId, bool selected) : MergeUndoCommand(m) { Index atomCount = m_mol.molecule().atomCount(); m_oldSelectedAtoms.reserve(atomCount); m_newSelectedAtoms.reserve(atomCount); for (Index i = 0; i < atomCount; ++i) { m_oldSelectedAtoms[i] = m_molecule.atomSelected(i); m_newSelectedAtoms[i] = m_molecule.atomSelected(i); } m_newSelectedAtoms[atomId] = selected; } void redo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_newSelectedAtoms[i]); } void undo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_oldSelectedAtoms[i]); } bool mergeWith(const QUndoCommand* other) override { const ModifySelectionCommand* o = dynamic_cast(other); if (o) { // check if the atom count matches Index numAtoms = m_oldSelectedAtoms.size(); if (numAtoms != o->m_oldSelectedAtoms.size() || numAtoms != o->m_newSelectedAtoms.size()) { return false; } // merge these, by grabbing the new selected atoms for (Index i = 0; i < numAtoms; ++i) m_newSelectedAtoms[i] = o->m_newSelectedAtoms[i]; return true; } return false; } }; } // namespace */ } // namespace QtGui } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/sceneplugin.cpp000066400000000000000000000016731516317240700254540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sceneplugin.h" namespace Avogadro::QtGui { ScenePlugin::ScenePlugin(QObject* parent_) : QObject(parent_) {} ScenePlugin::~ScenePlugin() {} void ScenePlugin::process(const QtGui::Molecule&, Rendering::GroupNode&) {} void ScenePlugin::processEditable(const RWMolecule&, Rendering::GroupNode&) {} QWidget* ScenePlugin::setupWidget() { return nullptr; } bool ScenePlugin::isEnabled() const { return m_layerManager.isEnabled(); } bool ScenePlugin::isActiveLayerEnabled() const { return m_layerManager.isActiveLayerEnabled(); } void ScenePlugin::setEnabled(bool enable) { m_layerManager.setEnabled(enable); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/sceneplugin.h000066400000000000000000000067311516317240700251210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SCENEPLUGIN_H #define AVOGADRO_QTGUI_SCENEPLUGIN_H #include "avogadroqtguiexport.h" #include "pluginlayermanager.h" #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Rendering { class GroupNode; } namespace QtGui { class RWMolecule; class Molecule; /** * @class ScenePluginFactory sceneplugin.h * @brief The base class for scene plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ScenePlugin : public QObject { Q_OBJECT public: explicit ScenePlugin(QObject* parent = nullptr); ~ScenePlugin() override; /** * Process the supplied atom, and add the necessary primitives to the scene. */ virtual void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node); virtual void processEditable(const RWMolecule& molecule, Rendering::GroupNode& node); /** * The name of the scene plugin, will be displayed in the user interface. */ virtual QString name() const = 0; /** * A description of the scene plugin, may be displayed in the user interface. */ virtual QString description() const = 0; /** * Returns true if the scene plugin has been enabled and is active. */ virtual bool isEnabled() const; /** * Returns true if the scene plugin has been enabled and is active in the * active scene. */ virtual bool isActiveLayerEnabled() const; /** * Set the enabled state of the plugin (default should be false). */ virtual void setEnabled(bool enable); /** * @return whether this plugin works with the current molecule. * This is used to determine if the plugin should be enabled in the UI. * For example, a plugin that only works with unit cells would return * false if the current molecule does not include a unit cell. */ virtual bool isApplicable() const { return true; } /** * @return the widget for plugin settings (e.g., colors, widths, etc.) */ virtual QWidget* setupWidget(); /** * This method exists to query without creating the widget. * @return true if the plugin has a setup widget */ virtual bool hasSetupWidget() const { return false; } /** * Returns if this plugin should be considered in the default behavior, * or it should reset to true or false. */ enum DefaultBehavior { Ignore, False, True }; virtual DefaultBehavior defaultBehavior() const { return Ignore; } signals: void drawablesChanged(); protected: PluginLayerManager m_layerManager; }; /** * @class ScenePluginFactory sceneplugin.h * @brief The base class for scene plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ScenePluginFactory : public Avogadro::QtPlugins::PluginFactory { public: ~ScenePluginFactory() override {} }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_INTERFACE(Avogadro::QtGui::ScenePluginFactory, "org.openchemistry.avogadro.ScenePluginFactory") #endif // AVOGADRO_QTGUI_SCENEPLUGIN_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/scenepluginmodel.cpp000066400000000000000000000116361516317240700264750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scenepluginmodel.h" #include "sceneplugin.h" namespace Avogadro::QtGui { ScenePluginModel::ScenePluginModel(QObject* parent_) : QAbstractItemModel(parent_) { } QModelIndex ScenePluginModel::parent(const QModelIndex&) const { return QModelIndex(); } int ScenePluginModel::rowCount(const QModelIndex& parent_) const { if (parent_.isValid()) return 0; else return m_scenePlugins.size(); } int ScenePluginModel::columnCount(const QModelIndex&) const { return 2; } Qt::ItemFlags ScenePluginModel::flags(const QModelIndex& index_) const { auto* item = qobject_cast(static_cast(index_.internalPointer())); if (!item) return Qt::NoItemFlags; Qt::ItemFlags flags = Qt::ItemIsEnabled; if (!item->isApplicable()) flags = Qt::NoItemFlags; if (index_.column() == 0) return flags | Qt::ItemIsEditable | Qt::ItemIsUserCheckable; else return flags; } bool ScenePluginModel::setData(const QModelIndex& index_, const QVariant& value, int role) { if (!index_.isValid() || index_.column() > 1) return false; auto* item = qobject_cast(static_cast(index_.internalPointer())); if (!item) return false; switch (role) { case Qt::CheckStateRole: if (value == Qt::Checked && !item->isActiveLayerEnabled()) { item->setEnabled(true); emit pluginStateChanged(item); } else if (value == Qt::Unchecked && item->isActiveLayerEnabled()) { item->setEnabled(false); emit pluginStateChanged(item); } emit dataChanged(index_, index_); return true; } return false; } QVariant ScenePluginModel::data(const QModelIndex& index_, int role) const { if (!index_.isValid() || index_.column() > 2) return QVariant(); auto* object = static_cast(index_.internalPointer()); auto* item = qobject_cast(object); if (!item) return QVariant(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // check if setupWidget() returns something if (index_.column() == 1) { switch (role) { case Qt::DisplayRole: case Qt::EditRole: return (item->hasSetupWidget()) ? "•••" : " "; case Qt::ToolTipRole: case Qt::WhatsThisRole: return tr("Settings"); case Qt::TextAlignmentRole: return toVariant(Qt::AlignLeft | Qt::AlignVCenter); default: return QVariant(); } } if (index_.column() == 0) { switch (role) { case Qt::DisplayRole: case Qt::EditRole: return item->name(); case Qt::CheckStateRole: if (item->isActiveLayerEnabled()) return Qt::Checked; else return Qt::Unchecked; case Qt::ToolTipRole: case Qt::WhatsThisRole: return item->description(); case Qt::TextAlignmentRole: return toVariant(Qt::AlignLeft); default: return QVariant(); } } return QVariant(); } QModelIndex ScenePluginModel::index(int row, int column, const QModelIndex& parent_) const { if (!parent_.isValid() && row >= 0 && row < m_scenePlugins.size()) return createIndex(row, column, m_scenePlugins[row]); else return QModelIndex(); } void ScenePluginModel::clear() { m_scenePlugins.clear(); } ScenePlugin* ScenePluginModel::scenePlugin(const QModelIndex& index) const { if (!index.isValid() || index.column() != 0) return nullptr; return m_scenePlugins[index.row()]; } ScenePlugin* ScenePluginModel::scenePlugin(int row) const { if (row < 0 || row >= m_scenePlugins.size()) return nullptr; return m_scenePlugins[row]; } QList ScenePluginModel::scenePlugins() const { return m_scenePlugins; } QList ScenePluginModel::activeScenePlugins() const { QList result; foreach (ScenePlugin* plugin, m_scenePlugins) { if (plugin->isEnabled()) result << plugin; } return result; } void ScenePluginModel::addItem(ScenePlugin* item) { if (!m_scenePlugins.contains(item)) { m_scenePlugins.append(item); item->setParent(this); connect(item, SIGNAL(drawablesChanged()), SIGNAL(pluginConfigChanged())); } } void ScenePluginModel::removeItem(ScenePlugin* item) { m_scenePlugins.removeAll(item); } void ScenePluginModel::itemChanged() { auto* item = qobject_cast(sender()); if (item) { int row = m_scenePlugins.indexOf(item); if (row >= 0) emit dataChanged(createIndex(row, 0), createIndex(row, 0)); } } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/scenepluginmodel.h000066400000000000000000000037111516317240700261350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SCENEPLUGINMODEL_H #define AVOGADRO_QTGUI_SCENEPLUGINMODEL_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { class ScenePlugin; /** * @class ScenePluginModel scenepluginmodel.h * * @brief A model containing scene plugins that will build up the scene. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ScenePluginModel : public QAbstractItemModel { Q_OBJECT public: explicit ScenePluginModel(QObject* parent = nullptr); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void clear(); QList scenePlugins() const; QList activeScenePlugins() const; ScenePlugin* scenePlugin(const QModelIndex& index) const; ScenePlugin* scenePlugin(int row) const; signals: void pluginStateChanged(Avogadro::QtGui::ScenePlugin*); void pluginConfigChanged(); public slots: void addItem(Avogadro::QtGui::ScenePlugin* item); void removeItem(Avogadro::QtGui::ScenePlugin* item); void itemChanged(); private: QList m_scenePlugins; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_SCENEPLUGINMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/slatersetconcurrent.cpp000066400000000000000000000067751516317240700272610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "slatersetconcurrent.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::Cube; using Core::SlaterSet; using Core::SlaterSetTools; struct SlaterShell { SlaterSetTools* tools; // A pointer to the tools, cannot write to member vars Cube* tCube; // The target cube, used to initialise temp cubes too unsigned int pos; // The index of the point to calculate the MO for unsigned int state; // The MO number to calculate }; SlaterSetConcurrent::SlaterSetConcurrent(QObject* p) : QObject(p), m_shells(nullptr), m_set(nullptr), m_tools(nullptr) { // Watch for the future connect(&m_watcher, SIGNAL(finished()), this, SLOT(calculationComplete())); } SlaterSetConcurrent::~SlaterSetConcurrent() { delete m_shells; } void SlaterSetConcurrent::setMolecule(Core::Molecule* mol) { if (!mol) return; m_set = dynamic_cast(mol->basisSet()); delete m_tools; m_tools = new SlaterSetTools(mol); } bool SlaterSetConcurrent::calculateMolecularOrbital(Core::Cube* cube, unsigned int state) { return setUpCalculation(cube, state, SlaterSetConcurrent::processOrbital); } bool SlaterSetConcurrent::calculateElectronDensity(Core::Cube* cube) { return setUpCalculation(cube, 0, SlaterSetConcurrent::processDensity); } bool SlaterSetConcurrent::calculateSpinDensity(Core::Cube* cube) { return setUpCalculation(cube, 0, SlaterSetConcurrent::processSpinDensity); } void SlaterSetConcurrent::calculationComplete() { // (*m_shells)[0].tCube->lock()->unlock(); delete m_shells; m_shells = nullptr; emit finished(); } bool SlaterSetConcurrent::setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(SlaterShell&)) { if (!m_set || !m_tools) return false; m_set->initCalculation(); // Set up the points we want to calculate the density at. m_shells = new QVector(static_cast(cube->data()->size())); for (int i = 0; i < m_shells->size(); ++i) { (*m_shells)[i].tools = m_tools; (*m_shells)[i].tCube = cube; (*m_shells)[i].pos = i; (*m_shells)[i].state = state; } // Lock the cube until we are done. // cube->lock()->lock(); // The main part of the mapped reduced function... m_future = QtConcurrent::map(*m_shells, func); // Connect our watcher to our future m_watcher.setFuture(m_future); return true; } void SlaterSetConcurrent::processOrbital(SlaterShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue( shell.pos, shell.tools->calculateMolecularOrbital(pos, shell.state)); } void SlaterSetConcurrent::processDensity(SlaterShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateElectronDensity(pos)); } void SlaterSetConcurrent::processSpinDensity(SlaterShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateSpinDensity(pos)); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/slatersetconcurrent.h000066400000000000000000000040121516317240700267040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SLATERSETCONCURRENT_H #define AVOGADRO_QTGUI_SLATERSETCONCURRENT_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Cube; class Molecule; class SlaterSet; class SlaterSetTools; } // namespace Core namespace QtGui { struct SlaterShell; /** * @brief The SlaterSetConcurrent class uses SlaterSetTools to calculate values * of electronic structure properties from quantum output read in. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT SlaterSetConcurrent : public QObject { Q_OBJECT public: explicit SlaterSetConcurrent(QObject* p = nullptr); ~SlaterSetConcurrent() override; void setMolecule(Core::Molecule* mol); bool calculateMolecularOrbital(Core::Cube* cube, unsigned int state); bool calculateElectronDensity(Core::Cube* cube); bool calculateSpinDensity(Core::Cube* cube); QFutureWatcher& watcher() { return m_watcher; } signals: /** * Emitted when the calculation is complete. */ void finished(); private slots: /** * Slot to set the cube data once Qt Concurrent is done */ void calculationComplete(); private: QFuture m_future; QFutureWatcher m_watcher; Core::Cube* m_cube; QVector* m_shells; Core::SlaterSet* m_set; Core::SlaterSetTools* m_tools; bool setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(SlaterShell&)); static void processOrbital(SlaterShell& shell); static void processDensity(SlaterShell& shell); static void processSpinDensity(SlaterShell& shell); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_SLATERSETCONCURRENT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/sortfiltertreeproxymodel.cpp000066400000000000000000000061421516317240700303340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sortfiltertreeproxymodel.h" namespace Avogadro::QtGui { // Custom class for Avogadro to handle filtering files // Directories are at most 2 levels deep until we get to files bool SortFilterTreeProxyModel::filterAcceptsRow( int sourceRow, const QModelIndex& sourceParent) const { // First we see if we're the source root node QModelIndex sourceIndex = sourceModel()->index(sourceRow, 0, sourceParent); if (!sourceIndex.isValid() || !sourceParent.isValid()) return true; // viewer will handle filtering // Make sure the root is always accepted, or we become rootless // See // http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo if (m_sourceRoot.isValid() && sourceIndex == m_sourceRoot) { return true; // true root, always accept } QString data = sourceModel()->data(sourceIndex).toString(); // ignore any image files if (data.endsWith(".png") || data.endsWith(".svg")) return false; // ignore any .smi files if (data.endsWith(".smi")) return false; // other development files like .json, .md, and .py if (data.endsWith(".json") || data.endsWith(".md") || data.endsWith(".py") || data.endsWith(".toml")) return false; // Now we see if we're a child of the root // If not, we accept -- only filter under *our* tree // Along the way, we'll see if a parent matches the filter if (sourceParent != m_sourceRoot) { bool childOfRoot = false; QModelIndex parent = sourceParent; for (int depth = 3; depth > 0; depth--) { if (sourceModel()->data(parent).toString().contains( filterRegularExpression())) return true; // a parent matches the pattern parent = parent.parent(); if (!parent.isValid()) return true; // tree view handles filtering, and we ascended too far if (parent == m_sourceRoot) { childOfRoot = true; break; } } // OK, we've gone up the tree, did we find our root? if (!childOfRoot) return true; } // else, sourceParent is a root, so we're good to filter // Check if the data for this row matches. If so, the default is to accept if (data.contains(filterRegularExpression())) return true; // Now we have to check the child nodes // We'll show the row if any child is accepted // (i.e., if a file matches, we'll show the directory path to it) // Try to fetchMore() first sourceModel()->fetchMore(sourceIndex); for (int i = 0; i < sourceModel()->rowCount(sourceIndex); ++i) { QModelIndex subRow = sourceModel()->index(i, 0, sourceIndex); if (!subRow.isValid()) continue; QString rowData = sourceModel()->data(subRow).toString(); if (rowData.contains(filterRegularExpression())) return true; } return false; // nothing matched } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/sortfiltertreeproxymodel.h000066400000000000000000000023601516317240700277770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SORTFILTERTREEPROXYMODEL_H #define AVOGADRO_QTGUI_SORTFILTERTREEPROXYMODEL_H #include "avogadroqtguiexport.h" #include namespace Avogadro::QtGui { class AVOGADROQTGUI_EXPORT SortFilterTreeProxyModel : public QSortFilterProxyModel { Q_OBJECT public: SortFilterTreeProxyModel(QObject* parent = nullptr) : QSortFilterProxyModel(parent), m_sourceRoot() { } // From http://kodeclutz.blogspot.com/2008/12/filtering-qtreeview.html bool filterAcceptsRow(int sourceRow, const QModelIndex& sourceParent) const override; // This is a hack to prevent us from becoming root-less // See // http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo void setSourceRoot(const QModelIndex& sourceRoot) { m_sourceRoot = sourceRoot; } private: QModelIndex m_sourceRoot; }; } // namespace Avogadro::QtGui #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/timedprogressdialog.cpp000066400000000000000000000055121516317240700272030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "timedprogressdialog.h" namespace Avogadro::QtGui { TimedProgressDialog::TimedProgressDialog(QWidget* parent) : QProgressDialog(parent) { } TimedProgressDialog::TimedProgressDialog(const QString& labelText, const QString& cancelButtonText, int minimum, int maximum, QWidget* parent) : QProgressDialog(labelText, cancelButtonText, minimum, maximum, parent), originalLabelText(labelText) { } void TimedProgressDialog::show() { elapsedTimer.start(); QProgressDialog::show(); } void TimedProgressDialog::setValue(int value) { QProgressDialog::setValue(value); if (!elapsedTimer.isValid()) { return; } // Calculate progress percentage float progress = static_cast(value - minimum()) / (maximum() - minimum()); // Avoid division by zero if (progress <= 0) { return; } // Ignore early progress (e.g., unreliable progress bar) if (progress < 0.1) { return; } // Calculate elapsed time in seconds float elapsedSeconds = elapsedTimer.elapsed() / 1000.0f; // Estimate total time and remaining time float estimatedTotal = elapsedSeconds / progress; float remainingSeconds = estimatedTotal - elapsedSeconds; // Format the time string QString remaining = formatTime(remainingSeconds); // Update label with original text and time remaining QString labelText = originalLabelText; if (!labelText.isEmpty()) { labelText += "\n" + remaining; } else { labelText = remaining; } QProgressDialog::setLabelText(labelText); } QString TimedProgressDialog::formatTime(double seconds) { if (seconds < 0) { return tr("Calculating…"); } if (seconds < 1) { return tr("Less than a second remaining"); } else if (seconds < 60) { int sec = static_cast(seconds); return tr("%n second(s) remaining", "", sec); } else if (seconds < 3600) { int minutes = static_cast(seconds / 60); return tr("%n minute(s) remaining", "", minutes); } else { // hopefully we don't have anything this slow int hours = static_cast(seconds / 3600); int minutes = static_cast((static_cast(seconds) % 3600) / 60); if (hours == 1 && minutes > 0) { // give a message for under 2 hours, e.g. // "1 hour 10 minutes remaining" return tr("1 hour %n minute(s) remaining", "", minutes); } else { // one hour or 2 hours, etc. return tr("%n hour(s) remaining", "", hours); } } } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/timedprogressdialog.h000066400000000000000000000034331516317240700266500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_TIMEDPROGRESSDIALOG_H #define AVOGADRO_QTGUI_TIMEDPROGRESSDIALOG_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro::QtGui { /** * @class TimedProgressDialog timedprogressdialog.h * * @brief A progress dialog with a time remaining label * @author Geoff Hutchison */ class AVOGADROQTGUI_EXPORT TimedProgressDialog : public QProgressDialog { Q_OBJECT public: TimedProgressDialog(QWidget* parent); TimedProgressDialog(const QString& labelText = QString(), const QString& cancelButtonText = QString(), int minimum = 0, int maximum = 100, QWidget* parent = nullptr); /** * @brief show the progress dialog and start the timer */ void show(); /** * @brief set the default label text */ void setLabelText(const QString& labelText) { originalLabelText = labelText; QProgressDialog::setLabelText(labelText); } public slots: /** * @brief set the value of the progress dialog * and update the time remaining */ void setValue(int value); private: /** * convert the time to a translatable * human-readable string like 2 minutes remaining * @param seconds the time in seconds */ QString formatTime(double seconds); QElapsedTimer elapsedTimer; QString originalLabelText; }; } // namespace Avogadro::QtGui #endif // AVOGADRO_QTGUI_TIMEDPROGRESSDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/tomlparse.cpp000066400000000000000000000066561516317240700251540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "tomlparse.h" #include #include #include #include #include #include #include #include // tomlplusplus — single header in thirdparty/ #include namespace Avogadro::QtGui { // --------------------------------------------------------------------------- // Internal TOML → QVariant helpers // --------------------------------------------------------------------------- static QVariant tomlNodeToVariant(const toml::node& node); static QVariantMap tomlTableToVariantMap(const toml::table& tbl) { QVariantMap map; for (auto&& [key, val] : tbl) { map.insert(QString::fromStdString(std::string(key.str())), tomlNodeToVariant(val)); } return map; } static QVariantList tomlArrayToVariantList(const toml::array& arr) { QVariantList list; for (auto&& val : arr) { list.append(tomlNodeToVariant(val)); } return list; } static QVariant tomlNodeToVariant(const toml::node& node) { if (node.is_string()) return QString::fromStdString(std::string(node.as_string()->get())); if (node.is_integer()) return static_cast(node.as_integer()->get()); if (node.is_floating_point()) return node.as_floating_point()->get(); if (node.is_boolean()) return node.as_boolean()->get(); if (node.is_table()) return tomlTableToVariantMap(*node.as_table()); if (node.is_array()) return tomlArrayToVariantList(*node.as_array()); if (node.is_date()) { auto d = node.as_date()->get(); return QDate(d.year, d.month, d.day); } if (node.is_time()) { auto t = node.as_time()->get(); return QTime(t.hour, t.minute, t.second, t.nanosecond / 1000000); } if (node.is_date_time()) { auto dt = node.as_date_time()->get(); QDate date(dt.date.year, dt.date.month, dt.date.day); QTime time(dt.time.hour, dt.time.minute, dt.time.second, dt.time.nanosecond / 1000000); if (dt.offset) return QDateTime(date, time, QTimeZone(dt.offset->minutes * 60)); return QDateTime(date, time); } return {}; } // --------------------------------------------------------------------------- // Public API // --------------------------------------------------------------------------- QVariantMap parseTomlString(std::string_view content, bool* ok) { try { toml::table root = toml::parse(content); if (ok) *ok = true; return tomlTableToVariantMap(root); } catch (const toml::parse_error& err) { qWarning() << "TOML parse error:" << err.what(); if (ok) *ok = false; return {}; } } QVariantMap parseTomlString(const QString& content, bool* ok) { QByteArray utf8 = content.toUtf8(); return parseTomlString(std::string_view(utf8.constData(), utf8.size()), ok); } QJsonObject parseTomlToJson(const QByteArray& content, bool* ok) { bool localOk = false; QVariantMap map = parseTomlString( std::string_view(content.constData(), content.size()), &localOk); if (ok) *ok = localOk; if (!localOk) return {}; return QJsonObject::fromVariantMap(map); } } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/tomlparse.h000066400000000000000000000042701516317240700246070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_TOMLPARSE_H #define AVOGADRO_QTGUI_TOMLPARSE_H #include "avogadroqtguiexport.h" #include #include #include class QByteArray; class QString; namespace Avogadro { namespace QtGui { /** * @brief Parse a TOML document and return the top-level table as a * QVariantMap. * * TOML types are mapped to Qt types as follows: * string → QString * integer → qlonglong * float → double * boolean → bool * date → QDate * time → QTime * datetime → QDateTime * array → QVariantList * table → QVariantMap * * @param content UTF-8 encoded TOML text. * @param ok If non-null, set to true on success and false on error. * @return The top-level TOML table as a QVariantMap; empty on parse error. */ AVOGADROQTGUI_EXPORT QVariantMap parseTomlString(std::string_view content, bool* ok = nullptr); /** * Overload accepting a QString (converted to UTF-8 internally). */ AVOGADROQTGUI_EXPORT QVariantMap parseTomlString(const QString& content, bool* ok = nullptr); /** * @brief Parse TOML bytes and return the top-level table as a QJsonObject. * * Convenience wrapper around parseTomlString() that converts the resulting * QVariantMap to a QJsonObject via QJsonObject::fromVariantMap(). Useful * when the caller needs to work with Qt's JSON types directly. * * @param content Raw UTF-8 encoded TOML bytes. * @param ok If non-null, set to true on success and false on error. * @return The top-level TOML table as a QJsonObject; empty on parse error. */ AVOGADROQTGUI_EXPORT QJsonObject parseTomlToJson(const QByteArray& content, bool* ok = nullptr); } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_TOMLPARSE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/toolplugin.cpp000066400000000000000000000024131516317240700253250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "toolplugin.h" namespace Avogadro::QtGui { ToolPlugin::ToolPlugin(QObject* parent_) : QObject(parent_) {} ToolPlugin::~ToolPlugin() {} QUndoCommand* ToolPlugin::mousePressEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::mouseReleaseEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::mouseMoveEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::mouseDoubleClickEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::wheelEvent(QWheelEvent*) { return nullptr; } QUndoCommand* ToolPlugin::keyPressEvent(QKeyEvent*) { return nullptr; } QUndoCommand* ToolPlugin::keyReleaseEvent(QKeyEvent*) { return nullptr; } void ToolPlugin::draw(Rendering::GroupNode&) {} bool ToolPlugin::handleCommand(const QString& command, const QVariantMap& options) { Q_UNUSED(command); Q_UNUSED(options); return false; } ToolPluginFactory::~ToolPluginFactory() {} } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/toolplugin.h000066400000000000000000000125731516317240700250020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_TOOLPLUGIN_H #define AVOGADRO_QTGUI_TOOLPLUGIN_H #include "avogadroqtguiexport.h" #include class QAction; class QKeyEvent; class QMouseEvent; class QUndoCommand; class QWheelEvent; namespace Avogadro { namespace Rendering { class GroupNode; class GLRenderer; } // namespace Rendering namespace QtOpenGL { class GLWidget; } namespace QtGui { class Molecule; class RWMolecule; /** * @class ToolPlugin toolplugin.h * @brief The base class for plugins that interact with QtOpenGL::GLWidget. * @author Allison Vacanti */ class AVOGADROQTGUI_EXPORT ToolPlugin : public QObject { Q_OBJECT public: explicit ToolPlugin(QObject* parent = nullptr); ~ToolPlugin() override; /** * The name of the tool, will be displayed in the user interface. */ virtual QString name() const = 0; /** * A description of the tool, may be displayed in the user interface. */ virtual QString description() const = 0; /** * A priority of the tool for sorting in the user interface. */ virtual unsigned char priority() const = 0; /** * @return The QAction that will cause this tool to become active. */ virtual QAction* activateAction() const = 0; /** * Set the tool icon (based on dark / light theme). */ virtual void setIcon(bool darkTheme = false) = 0; /** * @return A QWidget that will be displayed to the user while this tool is * active. */ virtual QWidget* toolWidget() const = 0; /** * Respond to user-input events. * @param e The QEvent object. * @return A QUndoCommand that can be used to undo any changes to the * molecule. If no undoable change is made, the method may return nullptr. * @{ */ virtual QUndoCommand* mousePressEvent(QMouseEvent* e); virtual QUndoCommand* mouseReleaseEvent(QMouseEvent* e); virtual QUndoCommand* mouseMoveEvent(QMouseEvent* e); virtual QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e); virtual QUndoCommand* wheelEvent(QWheelEvent* e); virtual QUndoCommand* keyPressEvent(QKeyEvent* e); virtual QUndoCommand* keyReleaseEvent(QKeyEvent* e); /**@}*/ /** * Override this method to add drawables to the scene graph. */ virtual void draw(Rendering::GroupNode& node); /** * Called by the app to handle a command registered by the plugin. * (e.g., "renderMovie" or "drawAtom", etc.) * * The app will turn the command into a string and pass it to the tool. * and any options will go from a JSON dictionary to a QVariantMap. * * @return true if the command was handled, false otherwise. */ virtual bool handleCommand(const QString& command, const QVariantMap& options); /** * Called by the app to tell the tool to register commands. * If the tool has commands, it should emit the registerCommand signals. */ virtual void registerCommands() {} signals: /** * Emitted when draw() needs to be called again due to updates. */ void drawablesChanged(); /** * Emitted when something changed (camera, etc) and the molecule should be * redrawn. */ void updateRequested(); /** * Register a new command with the application. The command will be available * through scripting (e.g., "renderMovie" or "generateSurface", etc.) * * @param command The name of the command to register. * @param description A description of the command. * * @sa handleCommand */ void registerCommand(QString command, QString description); /** * Request a specific display type (or types) are made active. * This can be useful when loading a specific type of data that * would be most readily viewed with a specialized view. */ void requestActiveDisplayTypes(QStringList displayTypes); /** * Indicate that a particular script command is finished. * (e.g., from handleCommand) * @param message An optional message to the script or user */ void commandFinished(const QString& message = QString()); public slots: /** * Called when the current molecule changes. */ virtual void setMolecule(QtGui::Molecule* mol) = 0; virtual void setEditMolecule(QtGui::RWMolecule*) {} /** * Set the GLWidget used by the tool. */ virtual void setGLWidget(QtOpenGL::GLWidget*) {} /** * Set the active widget used by the tool, this can be anything derived from * QWidget. */ virtual void setActiveWidget(QWidget*) {} /** * Set the GLRenderer used by the tool. */ virtual void setGLRenderer(Rendering::GLRenderer*) {} }; /** * @class ToolPluginFactory toolplugin.h * @brief The base class for tool plugin factories in Avogadro. * @author Allison Vacanti */ class AVOGADROQTGUI_EXPORT ToolPluginFactory { public: virtual ~ToolPluginFactory(); virtual ToolPlugin* createInstance(QObject* parent = nullptr) = 0; virtual QString identifier() const = 0; virtual QString description() const = 0; }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_INTERFACE(Avogadro::QtGui::ToolPluginFactory, "org.openchemistry.avogadro.ToolPluginFactory") #endif // AVOGADRO_QTGUI_TOOLPLUGIN_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/utilities.cpp000066400000000000000000000051011516317240700251410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "utilities.h" #include #include #include #include namespace Avogadro::QtGui::Utilities { QString libraryDirectory() { return QString(AvogadroLibs_LIB_DIR); } QString dataDirectory() { return QString(AvogadroLibs_DATA_DIR); } QString findExecutablePath(QString program) { // we want to return the path to a program if it exists // using the PATH system environment variable QProcessEnvironment system = QProcessEnvironment::systemEnvironment(); QString path = system.value("PATH"); #ifdef Q_OS_WIN32 QStringList paths = path.split(';'); #else QStringList paths = path.split(':'); // check standard locations first paths.prepend("/usr/bin"); paths.prepend("/usr/local/bin"); #endif // check the current application directory too paths.prepend(QCoreApplication::applicationDirPath()); // and check "../bin" too paths.prepend(QCoreApplication::applicationDirPath() + "/../bin"); // check to see if we find the program in that path for (const auto& dir : paths) { QFileInfo test(dir + '/' + program); if (test.isExecutable()) { // must exist to be executable, so we're done return dir; } } return QString(); } QStringList findExecutablePaths(QStringList programs) { QStringList result; // we want to return the path to a program if it exists // using the PATH system environment variable QProcessEnvironment system = QProcessEnvironment::systemEnvironment(); QString path = system.value("PATH"); #ifdef Q_OS_WIN32 QStringList paths = path.split(';'); #else QStringList paths = path.split(':'); // check standard locations first paths.prepend("/usr/bin"); paths.prepend("/usr/local/bin"); #endif // check the current application directory too paths.prepend(QCoreApplication::applicationDirPath()); // loop through all programs and all possible paths for (const auto& program : programs) { for (const auto& dir : paths) { QFileInfo test(dir + '/' + program); if (test.isExecutable() && !result.contains(test.absoluteFilePath())) { // must exist to be executable, so add it to the list result << test.absoluteFilePath(); } } } return result; } } // namespace Avogadro::QtGui::Utilities OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/utilities.h000066400000000000000000000017361516317240700246200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_UTILITIES_H #define AVOGADRO_QTGUI_UTILITIES_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { namespace Utilities { AVOGADROQTGUI_EXPORT QString libraryDirectory(); AVOGADROQTGUI_EXPORT QString dataDirectory(); //! \return a fully-qualified path for a program or an empty string if not found AVOGADROQTGUI_EXPORT QString findExecutablePath(QString program); //! \return a list of all fully-qualified paths for programs that are found AVOGADROQTGUI_EXPORT QStringList findExecutablePaths(QStringList programs); } // namespace Utilities } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_UTILITIES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/viewfactory.cpp000066400000000000000000000006721516317240700255000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "viewfactory.h" namespace Avogadro::QtGui { ViewFactory::ViewFactory() {} ViewFactory::~ViewFactory() {} } // namespace Avogadro::QtGui OpenChemistry-avogadrolibs-ceb949f/avogadro/qtgui/viewfactory.h000066400000000000000000000024241516317240700251420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_VIEWFACTORY_H #define AVOGADRO_QTGUI_VIEWFACTORY_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { /** * @class ViewFactory viewfactory.h * @brief The ViewFactory class is a pure virtual that provides a method of * dynamically adding views to the MultiViewWidget class. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ViewFactory { public: ViewFactory(); virtual ~ViewFactory(); /** * @brief Get the list of views the factory provides. * @return A list of supported views. */ virtual QStringList views() const = 0; /** * @brief Create a named view, the caller assumes ownership of the widget. * @param view The name of the view. * @return A new widget of the requested type, nullptr if none exists. */ virtual QWidget* createView(const QString& view) = 0; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_VIEWFACTORY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/000077500000000000000000000000001516317240700231255ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/CMakeLists.txt000066400000000000000000000007741516317240700256750ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS Widgets OpenGLWidgets) endif() add_library(QtOpenGL) avogadro_headers(QtOpenGL activeobjects.h glwidget.h qttextrenderstrategy.h ) target_sources(QtOpenGL PRIVATE activeobjects.cpp glwidget.cpp qttextrenderstrategy.cpp ) avogadro_add_library(QtOpenGL) target_link_libraries(QtOpenGL PUBLIC Avogadro::Rendering Avogadro::QtGui Qt::Widgets) if(QT_VERSION EQUAL 6) target_link_libraries(QtOpenGL PUBLIC Qt6::OpenGLWidgets) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/activeobjects.cpp000066400000000000000000000024001516317240700264520ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "activeobjects.h" #include "glwidget.h" #include namespace Avogadro::QtOpenGL { ActiveObjects::ActiveObjects() = default; ActiveObjects::~ActiveObjects() = default; ActiveObjects& ActiveObjects::instance() { static ActiveObjects singletonInstance; return singletonInstance; } GLWidget* ActiveObjects::activeGLWidget() const { return m_glWidget; } QWidget* ActiveObjects::activeWidget() const { return m_widget; } QtGui::Molecule* ActiveObjects::activeMolecule() const { return m_molecule; } void ActiveObjects::setActiveGLWidget(GLWidget* glWidget) { if (m_glWidget != glWidget) { m_widget = nullptr; m_glWidget = glWidget; emit activeGLWidgetChanged(m_glWidget); setActiveWidget(glWidget); } } void ActiveObjects::setActiveWidget(QWidget* widget) { if (m_widget != widget) { m_glWidget = nullptr; m_widget = widget; emit activeWidgetChanged(widget); } } void ActiveObjects::setActiveMolecule(QtGui::Molecule* molecule) { if (m_molecule != molecule) { m_molecule = molecule; emit activeMoleculeChanged(molecule); } } } // namespace Avogadro::QtOpenGL OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/activeobjects.h000066400000000000000000000042761516317240700261340ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef AVOGADRO_QTOPENGL_ACTIVEOBJECTS_H #define AVOGADRO_QTOPENGL_ACTIVEOBJECTS_H #include "avogadroqtopenglexport.h" #include // #include "glwidget.h" #include class QWidget; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtOpenGL { class GLWidget; /** * @class ActiveObjects activeobjects.h * @brief Singleton to provide access to active objects. * * This class provides access to the active objects in the running application. * If you write an application using the Avogadro libraries you need to keep * this class updated with changes in active objects in order for built in * features to work as expected. * * All returned objects are owned by the running application, nullptr indicates * that there is no currently active object of that type. */ class AVOGADROQTOPENGL_EXPORT ActiveObjects : public QObject { Q_OBJECT public: /** Return a reference to the singleton instance that can be queried. */ static ActiveObjects& instance(); /** Get the active GLWidget. **/ GLWidget* activeGLWidget() const; /** * Get the active widget. */ QWidget* activeWidget() const; /** * Get the active molecule. */ QtGui::Molecule* activeMolecule() const; public slots: /** Set the active GLWidget. */ void setActiveGLWidget(GLWidget* glWidget); /** Set the active widget. */ void setActiveWidget(QWidget* widget); /** Set the active molecule. */ void setActiveMolecule(QtGui::Molecule* molecule); signals: /** The active GL widget changed. */ void activeGLWidgetChanged(GLWidget* glWidget); /** The active widget changed. */ void activeWidgetChanged(QWidget* widget); /** The active molecule changed. */ void activeMoleculeChanged(QtGui::Molecule* molecule); private: ActiveObjects(); ~ActiveObjects() override; Q_DISABLE_COPY(ActiveObjects) GLWidget* m_glWidget = nullptr; QWidget* m_widget = nullptr; QtGui::Molecule* m_molecule = nullptr; }; } // namespace QtOpenGL } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_ACTIVEOBJECTS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/glwidget.cpp000066400000000000000000000174521516317240700254500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "glwidget.h" #include "qttextrenderstrategy.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtOpenGL { GLWidget::GLWidget(QWidget* p) : QOpenGLWidget(p), m_activeTool(nullptr), m_defaultTool(nullptr), m_renderTimer(nullptr) { setFocusPolicy(Qt::ClickFocus); connect(&m_scenePlugins, &QtGui::ScenePluginModel::pluginStateChanged, this, &GLWidget::updateScene); connect(&m_scenePlugins, &QtGui::ScenePluginModel::pluginConfigChanged, this, &GLWidget::updateScene); m_renderer.setTextRenderStrategy(new QtTextRenderStrategy); } GLWidget::~GLWidget() {} void GLWidget::setMolecule(QtGui::Molecule* mol) { clearScene(); if (m_molecule) disconnect(m_molecule, nullptr, nullptr, nullptr); m_molecule = mol; foreach (QtGui::ToolPlugin* tool, m_tools) tool->setMolecule(m_molecule); if (m_molecule != nullptr) { // update properties like dipole rendering QTimer::singleShot(500, m_molecule, &QtGui::Molecule::update); } connect(m_molecule, &QtGui::Molecule::changed, this, &GLWidget::updateScene); } QtGui::Molecule* GLWidget::molecule() { return m_molecule; } const QtGui::Molecule* GLWidget::molecule() const { return m_molecule; } void GLWidget::updateMolecule() { if (m_molecule != nullptr) { // update properties like dipole rendering QTimer::singleShot(500, m_molecule, &QtGui::Molecule::update); } } void GLWidget::updateScene() { // Build up the scene with the scene plugins, creating the appropriate nodes. QtGui::Molecule* mol = m_molecule; if (!mol) mol = new QtGui::Molecule(this); if (mol) { Rendering::GroupNode& node = m_renderer.scene().rootNode(); node.clear(); auto* moleculeNode = new Rendering::GroupNode(&node); foreach (QtGui::ScenePlugin* scenePlugin, m_scenePlugins.activeScenePlugins()) { auto* engineNode = new Rendering::GroupNode(moleculeNode); scenePlugin->process(*mol, *engineNode); } // Let the tools perform any drawing they need to do. foreach (QtGui::ToolPlugin* tool, m_tools) { auto* toolNode = new Rendering::GroupNode(moleculeNode); tool->draw(*toolNode); } m_renderer.resetGeometry(); update(); } if (mol != m_molecule) delete mol; } void GLWidget::clearScene() { m_renderer.scene().clear(); } void GLWidget::resetCamera() { m_renderer.resetCamera(); update(); } void GLWidget::resetGeometry() { m_renderer.resetGeometry(); } void GLWidget::setTools(const QList& toolList) { foreach (QtGui::ToolPlugin* tool, toolList) addTool(tool); } void GLWidget::addTool(QtGui::ToolPlugin* tool) { if (m_tools.contains(tool)) return; connect(tool, &QtGui::ToolPlugin::updateRequested, this, &GLWidget::requestUpdate); tool->setParent(this); tool->setGLWidget(this); tool->setActiveWidget(this); tool->setMolecule(m_molecule); tool->setGLRenderer(&m_renderer); m_tools << tool; } void GLWidget::setActiveTool(const QString& name) { foreach (QtGui::ToolPlugin* tool, m_tools) { QAction* toolAction = tool->activateAction(); if (tool->objectName() == name || (toolAction && toolAction->text() == name)) { setActiveTool(tool); return; } } } void GLWidget::setActiveTool(QtGui::ToolPlugin* tool) { if (tool == m_activeTool) return; if (m_activeTool && m_activeTool != m_defaultTool) { disconnect(m_activeTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } if (tool) addTool(tool); m_activeTool = tool; if (m_activeTool && m_activeTool != m_defaultTool) { connect(m_activeTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } } void GLWidget::setDefaultTool(const QString& name) { foreach (QtGui::ToolPlugin* tool, m_tools) { QAction* toolAction = tool->activateAction(); if (tool->objectName() == name || tool->name() == name || (toolAction && toolAction->text() == name)) { setDefaultTool(tool); return; } } } void GLWidget::setDefaultTool(QtGui::ToolPlugin* tool) { if (tool == m_defaultTool) return; if (m_defaultTool && m_activeTool != m_defaultTool) { disconnect(m_defaultTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } if (tool) addTool(tool); m_defaultTool = tool; if (m_defaultTool && m_activeTool != m_defaultTool) { connect(m_defaultTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } } void GLWidget::requestUpdate() { if (!m_renderTimer) { m_renderTimer = new QTimer(this); connect(m_renderTimer, &QTimer::timeout, this, &GLWidget::updateTimeout); m_renderTimer->setSingleShot(1000 / 30); // 30 fps m_renderTimer->start(); } } void GLWidget::updateTimeout() { if (m_renderTimer) { m_renderTimer->deleteLater(); m_renderTimer = nullptr; } update(); } void GLWidget::initializeGL() { m_renderer.initialize(); if (!m_renderer.isValid()) emit rendererInvalid(); } void GLWidget::resizeGL(int width_, int height_) { float pixelRatio = window()->windowHandle()->devicePixelRatio(); m_renderer.setPixelRatio(pixelRatio); m_renderer.resize(width_, height_); } void GLWidget::paintGL() { m_renderer.render(); } void GLWidget::mouseDoubleClickEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mouseDoubleClickEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mouseDoubleClickEvent(e); if (!e->isAccepted()) QOpenGLWidget::mouseDoubleClickEvent(e); } void GLWidget::mousePressEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mousePressEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mousePressEvent(e); if (!e->isAccepted()) QOpenGLWidget::mousePressEvent(e); } void GLWidget::mouseMoveEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mouseMoveEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mouseMoveEvent(e); if (!e->isAccepted()) QOpenGLWidget::mouseMoveEvent(e); } void GLWidget::mouseReleaseEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mouseReleaseEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mouseReleaseEvent(e); if (!e->isAccepted()) QOpenGLWidget::mouseReleaseEvent(e); } void GLWidget::wheelEvent(QWheelEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->wheelEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->wheelEvent(e); if (!e->isAccepted()) QOpenGLWidget::wheelEvent(e); } void GLWidget::keyPressEvent(QKeyEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->keyPressEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->keyPressEvent(e); if (!e->isAccepted()) QOpenGLWidget::keyPressEvent(e); } void GLWidget::keyReleaseEvent(QKeyEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->keyReleaseEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->keyReleaseEvent(e); if (!e->isAccepted()) QOpenGLWidget::keyReleaseEvent(e); } } // namespace Avogadro::QtOpenGL OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/glwidget.h000066400000000000000000000133261516317240700251110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTOPENGL_GLWIDGET_H #define AVOGADRO_QTOPENGL_GLWIDGET_H #include "avogadroqtopenglexport.h" #include #include #include #include #if QT_VERSION >= 0x060000 #include #else #include #endif class QTimer; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtOpenGL { /** * @class GLWidget glwidget.h * @brief QOpenGLGLWidget derived object for displaying 3D molecular geometry. * @author Marcus D. Hanwell * * This class creates the GL context, and contains a renderer to render the * 3D molecular geometry. * * The GLWidget also manages a collection of ToolPlugins that are used to * respond to user input events. Use setTools() or addTool() to add tools to the * widget. Use setActiveTool() to indicate which tool is active. The active tool * will be given the opportunity to handle input events first. If the active * tool does not handle the event, the default tool will be used. If the default * tool also ignores the event, it will be passed to QOpenGLWidget's handlers. */ class AVOGADROQTOPENGL_EXPORT GLWidget : public QOpenGLWidget { Q_OBJECT public: explicit GLWidget(QWidget* parent = nullptr); ~GLWidget() override; /** Set the molecule the widget will render. */ void setMolecule(QtGui::Molecule* molecule); /** * Get the molecule being rendered by the widget. * @{ */ QtGui::Molecule* molecule(); const QtGui::Molecule* molecule() const; /** @}*/ /** Get a reference to the renderer for the widget. */ Rendering::GLRenderer& renderer() { return m_renderer; } /** * @return A list of the ToolPlugins owned by the GLWidget. */ QList tools() const { return m_tools; } /** * @return The active tool. */ QtGui::ToolPlugin* activeTool() const { return m_activeTool; } /** * @return The default tool. */ QtGui::ToolPlugin* defaultTool() const { return m_defaultTool; } /** * Get the GLWidget's ScenePluginModel, used to add, delete and modify the * scene plugin items. * @{ */ QtGui::ScenePluginModel& sceneModel() { return m_scenePlugins; } const QtGui::ScenePluginModel& sceneModel() const { return m_scenePlugins; } /** @}*/ /** * Check if the GLWidget was able to acquire a context, and set up the * renderer correctly. If not valid, the error method may provide more * information. * @return true if value, false if not. */ bool isValid() const { return m_renderer.isValid(); } /** * Get the error(s), if any, encountered when setting up the GLWidget. * @return A free form string containing errors encountered. */ QString error() const { return m_renderer.error().c_str(); } signals: void rendererInvalid(); public slots: /** * Update the scene plugins for the widget, this will generate geometry in * the scene etc. */ void updateScene(); /** * Request update of molecule properties (e.g., dipole moment) */ void updateMolecule(); /** * Clear the contents of the scene. */ void clearScene(); /** Reset the view to fit the entire scene. */ void resetCamera(); /** Reset the geometry when the molecule etc changes. */ void resetGeometry(); /** * Make the tools in toolList available to the GLWidget. The GLWidget takes * ownership of the tools. */ void setTools(const QList& toolList); /** * Make tool available to the GLWidget. The GLWidget takes ownership of the * tool. */ void addTool(QtGui::ToolPlugin* tool); /** * Set the active tool. This is the tool that will be used to handle input * events first. * @{ */ void setActiveTool(const QString& name); void setActiveTool(QtGui::ToolPlugin* tool); /**@}*/ /** * Set the default tool. This is the tool that will be used to handle input * events that are ignored by the active tool. * @{ */ void setDefaultTool(const QString& name); void setDefaultTool(QtGui::ToolPlugin* tool); /**@}*/ /** * Request an update, this will by default initiate a timer that will trigger * in a specified time, enabling us to compress multiple events such as * camera moves to maintain interactivity. */ void requestUpdate(); protected slots: /** * Perform the update of the render, this should only be called by the timer. */ void updateTimeout(); protected: /** This is where the GL context is initialized. */ void initializeGL() override; /** Take care of resizing the context. */ void resizeGL(int width, int height) override; /** Main entry point for all GL rendering. */ void paintGL() override; /** Reimplemented from QOpenGLWidget @{ */ void mouseDoubleClickEvent(QMouseEvent*) override; void mousePressEvent(QMouseEvent*) override; void mouseMoveEvent(QMouseEvent*) override; void mouseReleaseEvent(QMouseEvent*) override; void wheelEvent(QWheelEvent*) override; void keyPressEvent(QKeyEvent*) override; void keyReleaseEvent(QKeyEvent*) override; /** @} */ private: QPointer m_molecule; QList m_tools; QtGui::ToolPlugin* m_activeTool; QtGui::ToolPlugin* m_defaultTool; Rendering::GLRenderer m_renderer; QtGui::ScenePluginModel m_scenePlugins; QTimer* m_renderTimer; }; } // namespace QtOpenGL } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_GLWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/qttextrenderstrategy.cpp000066400000000000000000000165461516317240700301610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qttextrenderstrategy.h" #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Rendering::TextProperties; namespace { inline Qt::Alignment textPropertiesToAlignment(const TextProperties& prop) { // This is initialized with no flags set as we want, no need to initialize. Qt::Alignment result; switch (prop.hAlign()) { default: case TextProperties::HLeft: result |= Qt::AlignLeft; break; case TextProperties::HCenter: result |= Qt::AlignHCenter; break; case TextProperties::HRight: result |= Qt::AlignRight; break; } switch (prop.vAlign()) { default: case TextProperties::VTop: result |= Qt::AlignTop; break; case TextProperties::VCenter: result |= Qt::AlignVCenter; break; case TextProperties::VBottom: result |= Qt::AlignBottom; break; } return result; } inline QFont textPropertiesToQFont(const TextProperties& prop) { QString family; switch (prop.fontFamily()) { case TextProperties::SansSerif: #ifndef Q_OS_MAC family = "SansSerif"; #else family = QApplication::font().family(); #endif break; case TextProperties::Serif: #ifndef Q_OS_MAC family = "serif"; #else family = "Times"; #endif break; case TextProperties::Mono: #ifndef Q_OS_MAC family = "mono"; #else family = "Menlo"; #endif break; default: qWarning() << "Unknown font family id: " << prop.fontFamily() << "Defaulting to SansSerif."; family = QApplication::font().family(); } TextProperties::FontStyles style = prop.fontStyles(); QFont result(family, static_cast(prop.pixelHeight()) / 2 + 1, static_cast(style & TextProperties::Bold) ? QFont::Bold : QFont::Normal, static_cast(style & TextProperties::Italic)); result.setUnderline(static_cast(style & TextProperties::Underline)); // Scale the font size to match the specified pixel height: QFontMetricsF metrics(result); int iterLimiter = 0; // no more than 5 iterations below: do { result.setPointSizeF(result.pointSizeF() * static_cast(prop.pixelHeight()) / metrics.height()); metrics = QFontMetricsF(result); } while ( std::fabs(metrics.height() - static_cast(prop.pixelHeight())) > static_cast(0.5) && iterLimiter++ < 5); return result; } } // namespace namespace Avogadro::QtOpenGL { QtTextRenderStrategy::QtTextRenderStrategy() {} QtTextRenderStrategy::~QtTextRenderStrategy() {} Rendering::TextRenderStrategy* QtTextRenderStrategy::newInstance() const { return new QtTextRenderStrategy; } void QtTextRenderStrategy::boundingBox(const std::string& string, const Rendering::TextProperties& tprop, int bbox[]) const { QRect rect; const QFont font(textPropertiesToQFont(tprop)); const Qt::Alignment align(textPropertiesToAlignment(tprop)); rect = QFontMetrics(font).boundingRect(rect, align, QString::fromStdString(string)); // Rotate if needed if (tprop.rotationDegreesCW() != 0.f) { // Build transformation QTransform transform; transform.rotate(static_cast(-tprop.rotationDegreesCW())); // Transform a floating point representation of the bbox QRectF tmpRect(rect); tmpRect = transform.mapRect(tmpRect); // Update the bbox, rounding values to give the largest containing bbox rect.setLeft(static_cast(std::floor(tmpRect.left()))); rect.setRight(static_cast(std::floor(tmpRect.right()))); rect.setTop(static_cast(std::ceil(tmpRect.top()))); rect.setBottom(static_cast(std::floor(tmpRect.bottom()))); } bbox[0] = rect.left(); bbox[1] = rect.right(); bbox[2] = rect.top(); bbox[3] = rect.bottom(); } void QtTextRenderStrategy::render(const std::string& string, const Rendering::TextProperties& tprop, unsigned char* buffer, const Vector2i& dims) const { // Convert inputs to Qt QString str = QString::fromStdString(string); Qt::Alignment flags = textPropertiesToAlignment(tprop); QFont font = textPropertiesToQFont(tprop); // Construct our target image to use the input buffer and clear it. QImage target(buffer, dims[0], dims[1], QImage::Format_ARGB32_Premultiplied); target.fill(qRgba(0, 0, 0, 0)); // Painter setup QPainter painter(&target); painter.setFont(font); // Get a tight bbox for the text without rotations: QRectF textRect(painter.boundingRect(QRectF(), flags, str)); // Undo any alignment translations of the bbox. textRect.translate(-textRect.topLeft()); // Apply rotation, if any auto rot(static_cast(tprop.rotationDegreesCW())); if (rot != 0.f) { // Rotate the painter: painter.rotate(static_cast(rot)); // Convert the bbox into a polygon and rotate it QPolygonF textCorners(textRect); textCorners = painter.transform().map(textCorners); // Find the new origin in the rotated space: QPointF newOrigin(-textCorners.boundingRect().topLeft()); // Rotate the point back (drawText will reapply the rotation) newOrigin = painter.transform().inverted().map(newOrigin); // Account for the rotation in the bbox: textRect.translate(newOrigin); } // Draw the text painter.setPen( QColor(tprop.red(), tprop.green(), tprop.blue(), tprop.alpha())); painter.drawText(textRect, flags, str); painter.end(); // Convert the buffer from ARGB --> RGBA for openGL by default if (!m_preserveArgb) argbToRgba(buffer, dims[0] * dims[1]); } namespace { template inline void argbToRgbaWorker(quint32 in, quint32& out) { Q_UNUSED(in) Q_UNUSED(out) qWarning("QtTextRenderStrategy::argbToRgba: Invalid byte order."); } template <> inline void argbToRgbaWorker(quint32 in, quint32& out) { out = ((in >> 24) & 0xff) | (in << 8); } template <> inline void argbToRgbaWorker(quint32 in, quint32& out) { out = ((in << 16) & 0xff0000) | ((in >> 16) & 0xff) | (in & 0xff00ff00); } } // namespace void QtTextRenderStrategy::argbToRgba(unsigned char* buffer, size_t pixels) { // Adapted from QGLWidget::convertToGLFormat to perform the conversion // in-place. // input: 0xAARRGGBB // output: 0xRRGGBBAA (big endian) // output: 0xAABBGGRR (little endian) auto* cur = reinterpret_cast(buffer); quint32* end = &cur[pixels]; while (cur < end) { // Ignore empty pixels if (*cur) argbToRgbaWorker(*cur, *cur); cur++; } } } // namespace Avogadro::QtOpenGL OpenChemistry-avogadrolibs-ceb949f/avogadro/qtopengl/qttextrenderstrategy.h000066400000000000000000000034721516317240700276200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_QTTEXTRENDERSTRATEGY_H #define AVOGADRO_QTGUI_QTTEXTRENDERSTRATEGY_H #include "avogadroqtopenglexport.h" #include #include namespace Avogadro { namespace QtOpenGL { /** * @class QtTextRenderStrategy qttextrenderstrategy.h * * @brief The QtTextRenderStrategy class uses the Qt toolkit to render text. */ class AVOGADROQTOPENGL_EXPORT QtTextRenderStrategy : public Rendering::TextRenderStrategy { public: QtTextRenderStrategy(); ~QtTextRenderStrategy() override; TextRenderStrategy* newInstance() const override; void boundingBox(const std::string& string, const Rendering::TextProperties& tprop, int bbox[4]) const override; void render(const std::string& string, const Rendering::TextProperties& tprop, unsigned char* buffer, const Vector2i& dims) const override; /** * Keep the buffer as a QImage::Format_ARGB32_Premultiplied image. Useful * for testing. * @note The result buffer may or may not actually be ARGB ordered depending * on system endianness. See the QImage docs for more info. * @{ */ bool preserveArgb() const { return m_preserveArgb; } void setPreserveArgb(bool b) { m_preserveArgb = b; } /** @} */ private: static void argbToRgba(unsigned char* buffer, size_t pixels); bool m_preserveArgb; }; } // namespace QtOpenGL } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_QTTEXTRENDERSTRATEGY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/000077500000000000000000000000001516317240700233225ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/000077500000000000000000000000001516317240700243405ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/3dmol.cpp000066400000000000000000000033471516317240700260710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "3dmol.h" #include "3dmoldialog.h" #include #include namespace Avogadro::QtPlugins { ThreeDMol::ThreeDMol(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(this)), m_dialog(nullptr), m_molecule(nullptr) { m_action->setEnabled(true); m_action->setText("&3DMol HTML Snippet…"); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } QString ThreeDMol::description() const { return tr("3DMol HTML Block."); } QList ThreeDMol::actions() const { return QList() << m_action; } QStringList ThreeDMol::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void ThreeDMol::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; m_molecule = mol; if (m_dialog) m_dialog->setMolecule(m_molecule); } void ThreeDMol::showDialog() { if (!m_dialog) { m_dialog = new ThreeDMolDialog(m_molecule, qobject_cast(this->parent())); } m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/3dmol.h000066400000000000000000000031151516317240700255270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ThreeDMOL_H #define AVOGADRO_QTPLUGINS_ThreeDMOL_H #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { class ThreeDMolDialog; /** * @brief The ThreeDMol class is an extension to launch * a ThreeDMolDialog. */ class ThreeDMol : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ThreeDMol(QObject* parent_ = nullptr); ~ThreeDMol() override = default; QString name() const override { return tr("ThreeDMol"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void showDialog(); private: QAction* m_action; ThreeDMolDialog* m_dialog; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_ThreeDMOLEXTENSION_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/3dmoldialog.cpp000066400000000000000000000066721516317240700272550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "3dmoldialog.h" #include "ui_3dmoldialog.h" #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { ThreeDMolDialog::ThreeDMolDialog(QtGui::Molecule* mol, QWidget* parent_) : QDialog(parent_), m_molecule(nullptr), m_ui(new Ui::ThreeDMolDialog) { m_ui->setupUi(this); setMolecule(mol); } ThreeDMolDialog::~ThreeDMolDialog() { delete m_ui; } void ThreeDMolDialog::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (!m_molecule) return; connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(updateLabels())); connect(m_molecule, SIGNAL(destroyed()), SLOT(moleculeDestroyed())); connect(m_ui->closeButton, SIGNAL(clicked()), SLOT(close())); connect(m_ui->copyButton, SIGNAL(clicked()), SLOT(copyToClipboard())); updateLabels(); } void ThreeDMolDialog::updateLabels() { if (m_molecule) { updateTextBrowser(); } else { m_ui->plainTextEdit->clear(); } } void ThreeDMolDialog::updateTextBrowser() { QString text = "\n"; // MDL representation std::string mol; bool writeSDF = Io::FileFormatManager::instance().writeString(*m_molecule, mol, "sdf"); text.append("
\n"); else text.append(" data-type='xyz' data-backgroundcolor='0xffffff' " "data-style='stick'>\n"); text.append(""); m_ui->plainTextEdit->setPlainText(text); } void ThreeDMolDialog::moleculeDestroyed() { m_molecule = nullptr; updateLabels(); } void ThreeDMolDialog::copyToClipboard() { QApplication::clipboard()->setText(m_ui->plainTextEdit->toPlainText()); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/3dmoldialog.h000066400000000000000000000032521516317240700267110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ThreeDMOLDIALOG_H #define AVOGADRO_QTGUI_ThreeDMOLDIALOG_H #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class ThreeDMolDialog; } /** * @class ThreeDMolDialog 3dmoldialog.h * @brief The ThreeDMolDialog class provides a dialog which displays * basic molecular properties. * @author Barry E. Moore II * * @todo IUPAC name fetch (need inchi key). */ class ThreeDMolDialog : public QDialog { Q_OBJECT public: explicit ThreeDMolDialog(QtGui::Molecule* mol, QWidget* parent_ = nullptr); ~ThreeDMolDialog() override; QtGui::Molecule* molecule() { return m_molecule; } public slots: void setMolecule(QtGui::Molecule* mol); private slots: void updateLabels(); void updateTextBrowser(); void moleculeDestroyed(); void copyToClipboard(); private: QtGui::Molecule* m_molecule; Ui::ThreeDMolDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTGUI_ThreeDMOLDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/3dmoldialog.ui000066400000000000000000000026351516317240700271030ustar00rootroot00000000000000 Avogadro::QtPlugins::ThreeDMolDialog true 0 0 370 257 3DMol HTML Snippet true &Copy to Clipboard Ctrl+C Close OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/3dmol/CMakeLists.txt000066400000000000000000000002301516317240700270730ustar00rootroot00000000000000avogadro_plugin(ThreeDMol "The 3DMol HTML Block Generator" ExtensionPlugin 3dmol.h ThreeDMol "3dmol.cpp;3dmoldialog.cpp" "3dmoldialog.ui" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/CMakeLists.txt000066400000000000000000000175331516317240700260730ustar00rootroot00000000000000find_package(Qt${QT_VERSION} COMPONENTS Widgets Network Concurrent REQUIRED) if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS OpenGLWidgets REQUIRED) endif() if(WIN32) # used for HTTPS (e.g., PQR, downloads, etc.) find_package(OpenSSL REQUIRED) endif() set(CMAKE_INCLUDE_CURRENT_DIR ON) # Modify the output directory for the build tree. set(original_library_output_dir "${CMAKE_LIBRARY_OUTPUT_DIRECTORY}") set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${original_library_output_dir}/avogadro2/plugins") set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY "${original_library_output_dir}/avogadro2/staticplugins") # Optionally build all plugins statically. option(BUILD_STATIC_PLUGINS "Build static plugins by default" ON) # Allow GPL plugins to be disabled. option(BUILD_GPL_PLUGINS "Build plugins that are licensed under the GNU Public License." OFF) # Create a plugin for Avogadro. # name is the name of the plugin, this will be the name of the target created. # description Free text description of the plugin. # type The base class of the plugin. # header is the header(s) for the class to be instantiated for the plugin. # pluginClass is the class to be instantiated for the plugin. # sources is the list of source files for the plugin. # uis is the list of UI files that need to be compiled (optional). # rcs is the list of qrc files that need to be compiled (optional). function(avogadro_plugin name description type header pluginClass sources) set(uis "") set(rcs "") if(${ARGC} GREATER 6) set(uis ${ARGV6}) endif() if(${ARGC} GREATER 7) set(rcs ${ARGV7}) endif() qt_wrap_ui(ui_srcs ${uis}) qt_add_resources(rc_srcs ${rcs}) unset(PluginIncludes) foreach(_header ${header}) set(PluginIncludes "${PluginIncludes}#include \"${CMAKE_CURRENT_SOURCE_DIR}/${_header}\"\n") endforeach() set(PluginName "${name}") set(PluginDescription "${description}") set(PluginType "${type}") set(PluginClass "${pluginClass}") configure_file("${AvogadroLibs_SOURCE_DIR}/cmake/avogadroplugin.cpp.in" "${CMAKE_CURRENT_BINARY_DIR}/${name}Plugin.cpp") # Figure out which type of plugin is being added, and put it in the right list if(BUILD_STATIC_PLUGINS) set(_plugin_object "STATIC") set_property(GLOBAL APPEND PROPERTY AvogadroLibs_STATIC_PLUGINS ${name}) if(rcs) get_filename_component(_name_we ${rcs} NAME_WE) set_property(GLOBAL APPEND PROPERTY AvogadroLibs_STATIC_RCS ${_name_we}) endif() else() set(_plugin_object "MODULE") set_property(GLOBAL APPEND PROPERTY AvogadroLibs_PLUGINS ${name}) endif() add_library(${name} ${_plugin_object} ${sources} ${ui_srcs} ${rc_srcs} ${name}Plugin.cpp ) target_link_libraries(${name} PRIVATE Avogadro::QtGui) if("${_plugin_object}" STREQUAL "STATIC") set_target_properties(${name} PROPERTIES COMPILE_DEFINITIONS "QT_STATICPLUGIN") if(UNIX) set_target_properties(${name} PROPERTIES POSITION_INDEPENDENT_CODE ON) endif() endif() set_target_properties(${name} PROPERTIES AUTOMOC TRUE PREFIX "") install(TARGETS ${name} EXPORT "AvogadroLibsTargets" RUNTIME DESTINATION "${INSTALL_RUNTIME_DIR}" LIBRARY DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/plugins" ARCHIVE DESTINATION "${INSTALL_ARCHIVE_DIR}/avogadro2/staticplugins") endfunction() # Now to make the plugins. add_subdirectory(3dmol) add_subdirectory(alchemy) add_subdirectory(aligntool) add_subdirectory(apbs) add_subdirectory(applycolors) add_subdirectory(autoopt) add_subdirectory(bondcentrictool) add_subdirectory(bonding) add_subdirectory(centroid) add_subdirectory(configurepython) add_subdirectory(constraints) add_subdirectory(coordinateeditor) add_subdirectory(copypaste) add_subdirectory(cp2kinput) add_subdirectory(crystal) add_subdirectory(customelements) add_subdirectory(dipole) add_subdirectory(editor) add_subdirectory(fetchpdb) add_subdirectory(focus) add_subdirectory(forcefield) add_subdirectory(gamessinput) add_subdirectory(hydrogens) add_subdirectory(importpqr) add_subdirectory(insertdna) add_subdirectory(insertfragment) add_subdirectory(insertpeptide) add_subdirectory(label) add_subdirectory(lammpsinput) add_subdirectory(lineformatinput) add_subdirectory(manipulator) add_subdirectory(measuretool) add_subdirectory(molecularproperties) add_subdirectory(navigator) add_subdirectory(networkdatabases) add_subdirectory(openbabel) add_subdirectory(openmminput) add_subdirectory(playertool) add_subdirectory(ply) add_subdirectory(povray) add_subdirectory(propertytables) add_subdirectory(resetview) add_subdirectory(select) add_subdirectory(selectiontool) if(USE_SPGLIB) add_subdirectory(spacegroup) endif() add_subdirectory(surfaces) add_subdirectory(svg) add_subdirectory(templatetool) add_subdirectory(vibrations) add_subdirectory(vrml) # Plugins that require plotting (JKQTPlotter) if(USE_PLOTTER) add_subdirectory(spectra) add_subdirectory(plotconformer) add_subdirectory(plotpdf) add_subdirectory(plotxrd) if(USE_SPGLIB) add_subdirectory(yaehmop) endif() endif() # script plugins (input generators, etc.) add_subdirectory(commandscripts) add_subdirectory(quantuminput) add_subdirectory(scriptcharges) add_subdirectory(scriptfileformats) if(USE_LIBARCHIVE) add_subdirectory(packageinstaller) endif() if(USE_LIBMSYM) add_subdirectory(symmetry) endif() # The scene plugins add_subdirectory(ballandstick) add_subdirectory(cartoons) add_subdirectory(closecontacts) add_subdirectory(force) add_subdirectory(licorice) add_subdirectory(surfacerender) add_subdirectory(noncovalent) add_subdirectory(vanderwaals) add_subdirectory(wireframe) if (USE_OPENGL) # needs some raw OpenGL code add_subdirectory(overlayaxes) endif() # other optional plugins if(BUILD_GPL_PLUGINS) # qtaimcurvature.h/cpp contains GPL licensed code: add_subdirectory(qtaim) endif() set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${original_library_output_dir}") # Add all of the static plugins to the initialization file. get_property(AvogadroLibs_STATIC_PLUGINS GLOBAL PROPERTY AvogadroLibs_STATIC_PLUGINS) get_property(AvogadroLibs_STATIC_RCS GLOBAL PROPERTY AvogadroLibs_STATIC_RCS) file(WRITE "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "// Automatically generated file. Do not edit. #ifndef AVOGADRO_STATIC_QTPLUGINS_H #define AVOGADRO_STATIC_QTPLUGINS_H #include \n\n") foreach(_plugin ${AvogadroLibs_STATIC_PLUGINS}) file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "Q_IMPORT_PLUGIN(${_plugin}Factory)\n") endforeach() file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "\nvoid initAvogadroPluginResources() {\n") foreach(_rcs ${AvogadroLibs_STATIC_RCS}) file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" " Q_INIT_RESOURCE(${_rcs});\n") endforeach() file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "}\n\n") file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "\n#endif // AVOGADRO_STATIC_QTPLUGINS_H\n") # Configure the static plugin header, ensuring it only changes if the contents # are modified - otherwise the original timestamp will be maintained. configure_file("${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h") # Now to build the plugin library, which can also statically link plugins # and initialize them for the application. If Avogadro is built statically # then the static plugin header must be included by the application. add_library(QtPlugins) avogadro_headers(QtPlugins pluginmanager.h pluginfactory.h "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h" ) target_sources(QtPlugins PRIVATE pluginmanager.cpp ) avogadro_add_library(QtPlugins ${HEADERS} ${SOURCES}) target_link_libraries(QtPlugins PUBLIC Qt::Core PRIVATE ${AvogadroLibs_STATIC_PLUGINS} Avogadro::QtGui Avogadro::Calc) if(QT_VERSION EQUAL 6) target_link_libraries(QtPlugins PRIVATE Qt6::OpenGLWidgets Qt6::Network) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/alchemy/000077500000000000000000000000001516317240700247445ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/alchemy/CMakeLists.txt000066400000000000000000000002351516317240700275040ustar00rootroot00000000000000include_directories(${CMAKE_CURRENT_BINARY_DIR}) avogadro_plugin(Alchemy "Change elements" ExtensionPlugin alchemy.h Alchemy "alchemy.cpp" "" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/alchemy/alchemy.cpp000066400000000000000000000044341516317240700270770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "alchemy.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; Alchemy::Alchemy(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_action(new QAction(tr("Change Elements…"), this)) { m_action->setProperty("menu priority", 750); connect(m_action, &QAction::triggered, this, &Alchemy::changeElements); } Alchemy::~Alchemy() {} QList Alchemy::actions() const { QList result; return result << m_action; } QStringList Alchemy::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void Alchemy::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Alchemy::changeElements() { if (!m_molecule) return; // assemble the list of elements QStringList choices; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { QString choice("%1: %2"); choice = choice.arg(i).arg(Elements::name(i)); choices << choice; } // get the element of the first selected atom unsigned char firstElement = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { firstElement = m_molecule->atom(i).atomicNumber(); break; } } bool ok = false; QString currentChoice = QInputDialog::getItem( qobject_cast(parent()), tr("Change Elements"), tr("Element:"), choices, static_cast(firstElement), false, &ok); if (!ok) return; unsigned char newElement = currentChoice.section(':', 0, 0).toUShort(); // loop through the selected atoms and change their elements for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) m_molecule->atom(i).setAtomicNumber(newElement); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/alchemy/alchemy.h000066400000000000000000000024171516317240700265430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ALCHEMY_H #define AVOGADRO_QTPLUGINS_ALCHEMY_H #include #include #include namespace Ui { class BondingDialog; } namespace Avogadro { namespace QtPlugins { /** * @brief The Bonding class performs bonding operations on demand. */ class Alchemy : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Alchemy(QObject* parent_ = nullptr); ~Alchemy() override; QString name() const override { return tr("Alchemy"); } QString description() const override { return tr("Change elements of atoms."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void changeElements(); private: QtGui::Molecule* m_molecule; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_ALCHEMY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/000077500000000000000000000000001516317240700253125ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/CMakeLists.txt000066400000000000000000000007161516317240700300560ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Gui REQUIRED) endif() set(aligntool_srcs aligntool.cpp ) set(aligntool_uis ) set(aligntool_rcs aligntool.qrc ) avogadro_plugin(AlignTool "AlignTool" ToolPlugin aligntool.h AlignTool "${aligntool_srcs}" "${aligntool_uis}" "${aligntool_rcs}" ) target_link_libraries(AlignTool PRIVATE Avogadro::QtOpenGL) if(QT_VERSION EQUAL 6) target_link_libraries(AlignTool PRIVATE Qt6::Gui) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/align_dark.svg000066400000000000000000000045421516317240700301330ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/align_light.svg000066400000000000000000000044021516317240700303140ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/aligntool.cpp000066400000000000000000000240361516317240700300130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "aligntool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::contrastColor; using Avogadro::Core::Elements; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; namespace Avogadro::QtPlugins { AlignTool::AlignTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_axis(0), m_alignType(0), m_toolWidget(nullptr) { m_activateAction->setText(tr("Align")); m_activateAction->setToolTip( tr("Align Molecules\n\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin.")); setIcon(); } AlignTool::~AlignTool() { if (m_toolWidget) m_toolWidget->deleteLater(); } void AlignTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/align_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/align_light.svg")); } QWidget* AlignTool::toolWidget() const { if (!m_toolWidget) { m_toolWidget = new QWidget; auto* labelAxis = new QLabel(tr("Axis:"), m_toolWidget); labelAxis->setSizePolicy(QSizePolicy::Preferred, QSizePolicy::Preferred); labelAxis->setMaximumHeight(15); // Combo box to select desired aixs to align to auto* comboAxis = new QComboBox(m_toolWidget); comboAxis->addItem("x"); comboAxis->addItem("y"); comboAxis->addItem("z"); comboAxis->setCurrentIndex(m_axis); // Button to actually perform actions auto* buttonAlign = new QPushButton(m_toolWidget); buttonAlign->setText(tr("Align")); connect(buttonAlign, SIGNAL(clicked()), this, SLOT(align())); auto* gridLayout = new QGridLayout(); gridLayout->addWidget(labelAxis, 0, 0, 1, 1, Qt::AlignRight); auto* hLayout = new QHBoxLayout; hLayout->addWidget(comboAxis); hLayout->addStretch(1); gridLayout->addLayout(hLayout, 0, 1); auto* hLayout3 = new QHBoxLayout(); hLayout3->addStretch(1); hLayout3->addWidget(buttonAlign); hLayout3->addStretch(1); auto* layout = new QVBoxLayout(); layout->addLayout(gridLayout); layout->addLayout(hLayout3); layout->addStretch(1); m_toolWidget->setLayout(layout); connect(comboAxis, SIGNAL(currentIndexChanged(int)), this, SLOT(axisChanged(int))); connect(m_toolWidget, SIGNAL(destroyed()), this, SLOT(toolWidgetDestroyed())); } return m_toolWidget; } void AlignTool::axisChanged(int axis) { // Axis to use - x=0, y=1, z=2 m_axis = axis; } void AlignTool::alignChanged(int align) { // Type of alignment - 0=everything, 1=molecule m_alignType = align; } void AlignTool::align() { if (m_atoms.size() == 0) return; if (m_atoms.size() >= 1) shiftAtomToOrigin(m_atoms[0].index); if (m_atoms.size() == 2) alignAtomToAxis(m_atoms[1].index, m_axis); } void AlignTool::shiftAtomToOrigin(Index atomIndex) { // Shift the atom to the origin Vector3 shift = m_molecule->atom(atomIndex).position3d(); const Core::Array& coords = m_molecule->atomPositions3d(); Core::Array newCoords(coords.size()); for (Index i = 0; i < coords.size(); ++i) newCoords[i] = coords[i] - shift; m_molecule->setAtomPositions3d(newCoords, tr("Align at Origin")); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void AlignTool::alignAtomToAxis(Index atomIndex, int axis) { // Align the atom to the specified axis [[maybe_unused]] Vector3 align = m_molecule->atom(atomIndex).position3d(); const Core::Array& coords = m_molecule->atomPositions3d(); Core::Array newCoords(coords.size()); [[maybe_unused]] double alpha; double beta, gamma; alpha = beta = gamma = 0.0; Vector3 pos = m_molecule->atom(atomIndex).position3d(); pos.normalize(); Vector3 axisVector; if (axis == 0) // x-axis axisVector = Vector3(1., 0., 0.); else if (axis == 1) // y-axis axisVector = Vector3(0., 1., 0.); else if (axis == 2) // z-axis axisVector = Vector3(0., 0., 1.); // Calculate the angle of the atom from the axis double angle = acos(axisVector.dot(pos)); // Get the vector for the rotation axisVector = axisVector.cross(pos); axisVector.normalize(); // Now to rotate the fragment for (Index i = 0; i < coords.size(); ++i) newCoords[i] = Eigen::AngleAxisd(-angle, axisVector) * coords[i]; m_molecule->setAtomPositions3d(newCoords, tr("Align to Axis")); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void AlignTool::toolWidgetDestroyed() { m_toolWidget = nullptr; } QUndoCommand* AlignTool::mousePressEvent(QMouseEvent* e) { // If the click is released on an atom, add it to the list if (e->button() != Qt::LeftButton || !m_renderer) return nullptr; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // Now add the atom on release. if (hit.type == Rendering::AtomType) { if (toggleAtom(hit)) emit drawablesChanged(); e->accept(); } return nullptr; } QUndoCommand* AlignTool::mouseDoubleClickEvent(QMouseEvent* e) { // Reset the atom list if (e->button() == Qt::LeftButton && !m_atoms.isEmpty()) { m_atoms.clear(); emit drawablesChanged(); e->accept(); } return nullptr; } bool AlignTool::toggleAtom(const Rendering::Identifier& atom) { int ind = m_atoms.indexOf(atom); if (ind >= 0) { m_atoms.remove(ind); return true; } if (m_atoms.size() >= 2) return false; m_atoms.push_back(atom); return true; } void AlignTool::draw(Rendering::GroupNode& node) { if (m_atoms.size() == 0) return; // check to make sure we have atoms for all of these for (int i = 0; i < m_atoms.size(); ++i) { Identifier& ident = m_atoms[i]; if (ident.type == Rendering::AtomType && ident.index >= m_molecule->atomCount()) return; } auto* geo = new GeometryNode; node.addChild(geo); // Add labels, extract positions QVector positions(m_atoms.size(), Vector3()); TextProperties atomLabelProp; atomLabelProp.setFontFamily(TextProperties::SansSerif); atomLabelProp.setAlign(TextProperties::HCenter, TextProperties::VCenter); for (int i = 0; i < m_atoms.size(); ++i) { Identifier& ident = m_atoms[i]; Q_ASSERT(ident.type == Rendering::AtomType); Q_ASSERT(ident.molecule != nullptr); auto atom = m_molecule->atom(ident.index); Q_ASSERT(atom.isValid()); unsigned char atomicNumber(atom.atomicNumber()); positions[i] = atom.position3d(); // get the color of the atom const unsigned char* color = Elements::color(atomicNumber); atomLabelProp.setColorRgb(contrastColor(Vector3ub(color)).data()); auto* label = new TextLabel3D; label->setText(QString("#%1").arg(i + 1).toStdString()); label->setTextProperties(atomLabelProp); label->setAnchor(positions[i].cast()); label->setRadius( static_cast(Elements::radiusCovalent(atomicNumber)) + 0.1f); geo->addDrawable(label); } } void AlignTool::registerCommands() { emit registerCommand("centerAtom", tr("Center the atom at the origin.")); emit registerCommand( "alignAtom", tr("Rotate the molecule to align the atom to the specified axis.")); } bool AlignTool::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "centerAtom") { if (options.contains("id")) { Index atomIndex = options["id"].toInt(); if (atomIndex < m_molecule->atomCount()) shiftAtomToOrigin(atomIndex); return true; } else if (options.contains("index")) { Index atomIndex = options["index"].toInt(); if (atomIndex < m_molecule->atomCount()) shiftAtomToOrigin(atomIndex); return true; } return false; } else if (command == "alignAtom") { int axis = -1; if (options.contains("axis") && options["axis"].type() == QVariant::Int) { axis = options["axis"].toInt(); } else if (options.contains("axis") && options["axis"].type() == QVariant::String) { QString axisString = options["axis"].toString(); if (axisString == "x") axis = 0; else if (axisString == "y") axis = 1; else if (axisString == "z") axis = 2; } if (axis >= 0 && axis < 3) { if (options.contains("id")) { Index atomIndex = options["id"].toInt(); if (atomIndex < m_molecule->atomCount()) alignAtomToAxis(atomIndex, axis); return true; } else if (options.contains("index")) { Index atomIndex = options["index"].toInt(); if (atomIndex < m_molecule->atomCount()) alignAtomToAxis(atomIndex, axis); return true; } } return false; // invalid options } return true; // nothing to handle } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/aligntool.h000066400000000000000000000050541516317240700274570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ALIGNTOOL_H #define AVOGADRO_QTPLUGINS_ALIGNTOOL_H #include #include #include namespace Avogadro::QtPlugins { /** * @class AlignTool aligntool.h * * @brief The Align Tool class aligns molecules to a frame of reference. * @author Geoffrey Hutchison */ class AlignTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit AlignTool(QObject* parent_ = nullptr); ~AlignTool() override; QString name() const override { return tr("Align tool"); } QString description() const override { return tr("Align molecules to a Cartesian axis"); } unsigned char priority() const override { return 90; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); m_atoms.clear(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; void draw(Rendering::GroupNode& node) override; void shiftAtomToOrigin(Index atomIndex); void alignAtomToAxis(Index atomIndex, int axis); bool toggleAtom(const Rendering::Identifier& atom); bool handleCommand(const QString& command, const QVariantMap& options) override; /** * Called by the app to tell the tool to register commands. * If the tool has commands, it should emit the registerCommand signals. */ void registerCommands() override; public Q_SLOTS: void axisChanged(int axis); void alignChanged(int align); void align(); private: QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; QVector m_atoms; int m_axis; int m_alignType; mutable QWidget* m_toolWidget; private Q_SLOTS: void toolWidgetDestroyed(); }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTOPENGL_ALIGNTOOL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/aligntool/aligntool.qrc000066400000000000000000000002071516317240700300100ustar00rootroot00000000000000 align_light.svg align_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/000077500000000000000000000000001516317240700242475ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/CMakeLists.txt000066400000000000000000000005021516317240700270040ustar00rootroot00000000000000set(apbs_srcs apbs.cpp apbsdialog.cpp apbsoutputdialog.cpp opendxreader.cpp ) set(apbs_uis apbsdialog.ui apbsoutputdialog.ui ) avogadro_plugin(apbs "APBS Extension" ExtensionPlugin apbs.h Apbs "${apbs_srcs}" "${apbs_uis}" ) target_link_libraries(apbs PRIVATE Avogadro::IO Avogadro::MoleQueue) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbs.cpp000066400000000000000000000116641516317240700257100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "apbs.h" #include "apbsdialog.h" #include "opendxreader.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Mesh; Apbs::Apbs(QObject* parent_) : QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_progressDialog(nullptr), m_dialog(nullptr) { auto* action = new QAction(this); action->setText(tr("Run APBS…")); connect(action, SIGNAL(triggered()), this, SLOT(onRunApbs())); m_actions.append(action); action = new QAction(this); action->setText(tr("Open Output File…")); connect(action, SIGNAL(triggered()), this, SLOT(onOpenOutputFile())); m_actions.append(action); } Apbs::~Apbs() { delete m_dialog; delete m_progressDialog; } QStringList Apbs::menuPath(QAction*) const { return QStringList() << tr("&Input") << tr("&APBS"); } void Apbs::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) m_molecule = mol; } void Apbs::onOpenOutputFile() { QString fileName = QFileDialog::getOpenFileName( qobject_cast(parent()), tr("Open Output File"), QString(), tr("OpenDX File (*.dx)")); if (fileName.isEmpty()) return; if (!m_molecule) return; loadOpenDxFile(fileName, *m_molecule); } void Apbs::meshGeneratorFinished() { auto* generator = qobject_cast(sender()); if (!generator) { return; } // delete the generator generator->deleteLater(); m_progressDialog->setValue(m_progressDialog->maximum()); m_progressDialog->hide(); } void Apbs::onMeshGeneratorProgress(int value) { m_progressDialog->setValue(value); qApp->processEvents(); } void Apbs::onRunApbs() { if (!m_dialog) m_dialog = new ApbsDialog(qobject_cast(parent())); m_dialog->setMolecule(m_molecule); int code = m_dialog->exec(); m_dialog->hide(); if (code == QDialog::Accepted) { m_pqrFileName = m_dialog->pqrFileName(); m_cubeFileName = m_dialog->cubeFileName(); emit moleculeReady(1); } } bool Apbs::readMolecule(QtGui::Molecule& molecule) { bool ok = Io::FileFormatManager::instance().readFile( molecule, m_pqrFileName.toStdString()); if (!ok) { QMessageBox::critical( qobject_cast(parent()), tr("IO Error"), tr("Error reading structure file (%1).").arg(m_pqrFileName)); return false; } if (!m_cubeFileName.isEmpty()) { // load the cube file and generate meshes ok = loadOpenDxFile(m_cubeFileName, molecule); if (!ok) return false; } return true; } bool Apbs::loadOpenDxFile(const QString& fileName, QtGui::Molecule& molecule) { OpenDxReader reader; bool ok = reader.readFile(fileName); if (!ok) { QMessageBox::critical( qobject_cast(parent()), tr("OpenDX Error"), tr("Error reading OpenDX file: %1").arg(reader.errorString())); } else { const Core::Cube* cube = reader.cube(); if (!cube) { QMessageBox::critical(qobject_cast(parent()), tr("OpenDX Error"), tr("Error reading OpenDX file: No cube found")); } else { if (!m_progressDialog) m_progressDialog = new QProgressDialog(qobject_cast(parent())); // generate positive mesh m_progressDialog->setLabelText("Generating Positive Potential Mesh"); m_progressDialog->setRange(0, 100); m_progressDialog->setValue(1); qApp->processEvents(); Mesh* mesh = molecule.addMesh(); auto* meshGenerator = new QtGui::MeshGenerator(cube, mesh, 0.1f); connect(meshGenerator, SIGNAL(finished()), this, SLOT(meshGeneratorFinished())); connect(meshGenerator, SIGNAL(progressValueChanged(int)), this, SLOT(onMeshGeneratorProgress(int))); meshGenerator->run(); // generate negative mesh m_progressDialog->setLabelText("Generating Negative Potential Mesh"); m_progressDialog->setRange(0, 100); m_progressDialog->setValue(1); qApp->processEvents(); mesh = molecule.addMesh(); meshGenerator = new QtGui::MeshGenerator(cube, mesh, -0.1f); connect(meshGenerator, SIGNAL(finished()), this, SLOT(meshGeneratorFinished())); connect(meshGenerator, SIGNAL(progressValueChanged(int)), this, SLOT(onMeshGeneratorProgress(int))); meshGenerator->run(); m_progressDialog->setValue(100); m_progressDialog->hide(); } } return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbs.h000066400000000000000000000033261516317240700253510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_APBS_H #define AVOGADRO_QTPLUGINS_APBS_APBS_H #include #include class QProgressDialog; namespace Avogadro::QtPlugins { class ApbsDialog; /** * @brief The Apbs class provides integration with the APBS package, primarily * reading the OpenDX output files produced by it at this point. */ class Apbs : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Apbs(QObject* parent_ = nullptr); ~Apbs() override; QString name() const override { return tr("APBS"); } QString description() const override { return tr("Interact with APBS utilities."); } QList actions() const override { return m_actions; } QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule*) override; bool readMolecule(QtGui::Molecule&) override; private slots: void onOpenOutputFile(); void onMeshGeneratorProgress(int value); void meshGeneratorFinished(); void onRunApbs(); private: /** * Loads the cube from the OpenDX file and adds the meshes to the molecule. */ bool loadOpenDxFile(const QString& fileName, QtGui::Molecule& molecule); private: QtGui::Molecule* m_molecule; QList m_actions; QProgressDialog* m_progressDialog; ApbsDialog* m_dialog; QString m_pqrFileName; QString m_cubeFileName; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_APBS_APBS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbsdialog.cpp000066400000000000000000000144261516317240700270670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include "apbsdialog.h" #include "apbsoutputdialog.h" #include "ui_apbsdialog.h" #include #include #include #include #include #include namespace Avogadro::QtPlugins { using MoleQueue::InputGenerator; ApbsDialog::ApbsDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::ApbsDialog), m_molecule(nullptr), m_inputGenerator( new InputGenerator(QCoreApplication::applicationDirPath() + "/../" + QtGui::Utilities::libraryDirectory() + "/avogadro2/scripts/inputGenerators/apbs.py")), m_loadStructureFile(false), m_loadCubeFile(false) { m_ui->setupUi(this); connect(m_ui->closeButton, SIGNAL(clicked()), this, SLOT(reject())); connect(m_ui->openPdbFileButton, SIGNAL(clicked()), this, SLOT(openPdbFile())); connect(m_ui->openPqrFileButton, SIGNAL(clicked()), this, SLOT(openPqrFile())); connect(m_ui->runApbsButton, SIGNAL(clicked()), this, SLOT(runApbs())); connect(m_ui->runPdb2PqrButton, SIGNAL(clicked()), this, SLOT(runPdb2Pqr())); connect(m_ui->saveInputFileButton, SIGNAL(clicked()), this, SLOT(saveInputFile())); } ApbsDialog::~ApbsDialog() { delete m_ui; delete m_inputGenerator; } void ApbsDialog::setMolecule(QtGui::Molecule* molecule) { if (molecule != m_molecule) { m_molecule = molecule; // clear values from previous runs m_ui->pdbFileLineEdit->clear(); m_ui->pqrFileLineEdit->clear(); m_ui->textEdit->clear(); } } QString ApbsDialog::pqrFileName() const { if (m_ui->generateFromPdbButton->isChecked()) return m_generatedPqrFileName; else return m_ui->pqrFileLineEdit->text(); } QString ApbsDialog::cubeFileName() const { return m_cubeFileName; } void ApbsDialog::openPdbFile() { QString fileName = QFileDialog::getOpenFileName( qobject_cast(parent()), tr("Open PDB File"), QString(), tr("PDB Files (*.pdb)")); if (!fileName.isEmpty()) { m_ui->pdbFileLineEdit->setText(fileName); m_ui->generateFromPdbButton->setChecked(true); } } void ApbsDialog::openPqrFile() { QString fileName = QFileDialog::getOpenFileName( qobject_cast(parent()), tr("Open PQR File"), QString(), tr("PQR Files (*.pqr)")); if (!fileName.isEmpty()) { m_ui->pqrFileLineEdit->setText(fileName); m_ui->loadFromPqrButton->setChecked(true); } updatePreviewTextImmediately(); } void ApbsDialog::runApbs() { saveInputFile("apbs.in"); // run apbs QStringList arguments; arguments.append("apbs.in"); QProcess process; process.start("apbs", arguments); // FIXME: show progress dialog process.waitForFinished(); if (process.exitStatus() == QProcess::NormalExit) { m_cubeFileName = "pot-PE0.dx"; ApbsOutputDialog dialog(this); connect(&dialog, SIGNAL(accepted()), this, SLOT(accept())); int code = dialog.exec(); if (code == QDialog::Accepted) { m_loadStructureFile = dialog.loadStructureFile(); m_loadCubeFile = dialog.loadCubeFile(); } else { m_loadStructureFile = false; m_loadCubeFile = false; } } else { m_loadStructureFile = false; m_loadCubeFile = false; QMessageBox::critical(this, tr("Error"), tr("Error running APBS: %1") .arg(process.readAllStandardError().constData())); } } void ApbsDialog::runPdb2Pqr() { QString pdbFileName = m_ui->pdbFileLineEdit->text(); if (pdbFileName.isEmpty()) { QMessageBox::critical(this, tr("Error"), tr("Please specify PDB file")); return; } QString pqrFileName_ = QFileInfo(pdbFileName).baseName() + ".pqr"; QString forceFieldName = m_ui->forceFieldComboBox->currentText(); // run pdb2pqr QStringList arguments; arguments.append("--ff"); arguments.append(forceFieldName); arguments.append(pdbFileName); arguments.append(pqrFileName_); QProcess process; process.start("pdb2pqr", arguments); process.waitForFinished(); if (process.exitStatus() == QProcess::NormalExit) { QMessageBox::information(this, tr("Success"), tr("Generated %1").arg(pqrFileName_)); m_generatedPqrFileName = pqrFileName_; updatePreviewTextImmediately(); } else { QMessageBox::critical(this, tr("Error"), tr("Error running PDB2PQR")); m_generatedPqrFileName.clear(); } } void ApbsDialog::saveInputFile() { QString fileName = QFileDialog::getSaveFileName( this, tr("Save APBS Input File"), "apbs.in", tr("APBS Input (*.in)")); if (!fileName.isEmpty()) { saveInputFile(fileName); QMessageBox::information(this, tr("Success"), tr("Input file written to '%1'").arg(fileName)); } } void ApbsDialog::saveInputFile(const QString& fileName) { QString contents = m_inputGenerator->fileContents("apbs.in"); QFile file(fileName); if (!file.open(QFile::WriteOnly)) { QMessageBox::critical(this, tr("Error"), tr("Cannot save file %1.").arg(fileName)); return; } file.write(contents.toLocal8Bit()); file.close(); } void ApbsDialog::updatePreviewTextImmediately() { QString pqrFileName_; if (m_ui->generateFromPdbButton->isChecked()) pqrFileName_ = m_generatedPqrFileName; else pqrFileName_ = m_ui->pqrFileLineEdit->text(); QJsonObject inputOptions; QJsonObject options; options["mainFile"] = pqrFileName_; options["Input File"] = pqrFileName_; options["Calculation"] = QString("mg-auto"); inputOptions["options"] = options; QJsonObject settings; inputOptions["settings"] = settings; bool success = m_inputGenerator->generateInput(inputOptions, *m_molecule); if (!success) { // FIXME: show in a dialog std::cerr << "errors: " << std::endl; foreach (const QString& error, m_inputGenerator->errorList()) { std::cerr << " " << error.toStdString() << std::endl; } } m_ui->textEdit->setText(m_inputGenerator->fileContents("apbs.in")); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbsdialog.h000066400000000000000000000031501516317240700265240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_APBSDIALOG_H #define AVOGADRO_QTPLUGINS_APBS_APBSDIALOG_H #include #include namespace Ui { class ApbsDialog; } namespace Avogadro { namespace QtGui { class Molecule; } namespace MoleQueue { class InputGenerator; } namespace QtPlugins { /** * @brief Dialog for running APBS. */ class ApbsDialog : public QDialog { Q_OBJECT public: /** * Constructor for ApbsDialog. */ ApbsDialog(QWidget* parent_ = nullptr); /** * Destructor for ApbsDialog. */ ~ApbsDialog() override; void setMolecule(QtGui::Molecule* molecule); /** * Returns the file name for the input .pqr file. */ QString pqrFileName() const; /** * Returns the file name for the output .dx file. */ QString cubeFileName() const; private slots: void openPdbFile(); void openPqrFile(); void runApbs(); void runPdb2Pqr(); void saveInputFile(); void saveInputFile(const QString& fileName); private: void updatePreviewTextImmediately(); private: Ui::ApbsDialog* m_ui; QString m_generatedPqrFileName; QtGui::Molecule* m_molecule; MoleQueue::InputGenerator* m_inputGenerator; QString m_cubeFileName; bool m_loadStructureFile; bool m_loadCubeFile; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_APBS_APBSDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbsdialog.ui000066400000000000000000000126301516317240700267150ustar00rootroot00000000000000 ApbsDialog 0 0 794 644 APBS Structure Input File Generate Input From PDB true PDB File: … 0 0 Force Field: AMBER CHARMM PARSE TYL06 PEOEPB SWANSON 0 0 Run PDB2PQR Load Existing PQR File PQR File: … APBS Input File Save Input File Run APBS Close OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbsoutputdialog.cpp000066400000000000000000000014411516317240700303410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "apbsoutputdialog.h" #include "ui_apbsoutputdialog.h" namespace Avogadro::QtPlugins { ApbsOutputDialog::ApbsOutputDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::ApbsOutputDialog) { m_ui->setupUi(this); } ApbsOutputDialog::~ApbsOutputDialog() {} bool ApbsOutputDialog::loadStructureFile() const { return m_ui->loadStructureCheckBox->isChecked(); } bool ApbsOutputDialog::loadCubeFile() const { return m_ui->loadCubeCheckBox->isChecked(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbsoutputdialog.h000066400000000000000000000024601516317240700300100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_APBSOUTPUTDIALOG_H #define AVOGADRO_QTPLUGINS_APBS_APBSOUTPUTDIALOG_H #include namespace Ui { class ApbsOutputDialog; } namespace Avogadro::QtPlugins { /** * @brief Dialog indicating a successful run of APBS. * * The ApbsOutputDialog class is used to tell the user that the run of APBS * was successful. It allows the user to select which of the input and output * files to load. */ class ApbsOutputDialog : public QDialog { Q_OBJECT public: /** * Constructor for ApbsOutputDialog. */ ApbsOutputDialog(QWidget* parent_ = nullptr); /** * Destructor for ApbsOutputDialog. */ ~ApbsOutputDialog() override; /** * Returns true if the user checked the 'Load Structure' check box. */ bool loadStructureFile() const; /** * Returns true if the user checked the 'Load Cube' check box. */ bool loadCubeFile() const; private: Ui::ApbsOutputDialog* m_ui; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_APBS_APBSOUTPUTDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/apbsoutputdialog.ui000066400000000000000000000040571516317240700302020ustar00rootroot00000000000000 ApbsOutputDialog 0 0 325 99 Success Success! Load Structure File true Load Cube File true Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() ApbsOutputDialog accept() 248 254 157 274 buttonBox rejected() ApbsOutputDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/opendxreader.cpp000066400000000000000000000043611516317240700274370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "opendxreader.h" #include #include #include #include namespace Avogadro::QtPlugins { using Core::Cube; bool OpenDxReader::readFile(const QString& fileName) { QFile file(fileName); if (!file.open(QFile::ReadOnly)) { m_errorString = "Failed to open file for reading"; return false; } delete m_cube; Vector3i dim(0, 0, 0); Vector3 origin(0, 0, 0); QVector spacings; std::vector values; while (!file.atEnd()) { QByteArray line = file.readLine(); QTextStream stream(line); if (line.isEmpty()) { // skip empty line continue; } else if (line[0] == '#') { // skip comment line continue; } else if (line.startsWith("object")) { if (dim[0] != 0) continue; QString unused; stream >> unused >> unused >> unused >> unused >> unused; stream >> dim[0] >> dim[1] >> dim[2]; } else if (line.startsWith("origin")) { QString unused; stream >> unused >> origin[0] >> origin[1] >> origin[2]; } else if (line.startsWith("delta")) { QString unused; Vector3 delta; stream >> unused >> delta[0] >> delta[1] >> delta[2]; spacings.append(delta); } else if (line.startsWith("attribute")) { continue; } else if (line.startsWith("component")) { continue; } else { // data line while (!stream.atEnd()) { double value; stream >> value; values.push_back(value); stream.skipWhiteSpace(); } } } Vector3 spacing(spacings[0][0], spacings[1][1], spacings[2][2]); // create potential cube m_cube = new Cube; m_cube->setCubeType(Cube::ESP); m_cube->setLimits(origin, dim, spacing); m_cube->setData(values); return true; } QString OpenDxReader::errorString() const { return m_errorString; } Cube* OpenDxReader::cube() const { return m_cube; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/apbs/opendxreader.h000066400000000000000000000024151516317240700271020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_OPENDXREADER_H #define AVOGADRO_QTPLUGINS_APBS_OPENDXREADER_H #include namespace Avogadro { namespace Core { class Cube; } namespace QtPlugins { /** * @brief Provide a reader for OpenDX files. */ class OpenDxReader { public: /** * Constructor for OpenDxReader. */ OpenDxReader() = default; /** * Destructor for OpenDxReader. */ ~OpenDxReader() = default; /** * Reads the file with the given @fileName. Returns false if an error * occurs. */ bool readFile(const QString& fileName); /** * @return String describing the last error that occurred. */ QString errorString() const; /** * Returns the potential energy cube read from the file. Returns 0 if no file * has been successfully read. */ Core::Cube* cube() const; private: Core::Cube* m_cube = nullptr; QString m_errorString; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_APBS_OPENDXREADER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/applycolors/000077500000000000000000000000001516317240700256715ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/applycolors/CMakeLists.txt000066400000000000000000000003701516317240700304310ustar00rootroot00000000000000avogadro_plugin(ApplyColors "Extension to apply color schemes to atoms and residues." ExtensionPlugin applycolors.h ApplyColors "applycolors.cpp" chargedialog.ui ) target_link_libraries(ApplyColors PRIVATE Avogadro::Calc tinycolormap) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/applycolors/applycolors.cpp000066400000000000000000000442441516317240700307540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "applycolors.h" #include "ui_chargedialog.h" #include #include #include #include #include #include #include #include #include #include #include using namespace tinycolormap; namespace Avogadro::QtPlugins { const int atomColors = 0; const int bondColors = 1; const int residueColors = 2; class ChargeColorDialog : public QDialog, public Ui::ChargeDialog { public: ChargeColorDialog(QWidget* parent = nullptr) : QDialog(parent) { setWindowFlags(Qt::Dialog | Qt::Tool); setupUi(this); } }; ApplyColors::ApplyColors(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_dialog(nullptr) { QAction* action; action = new QAction(tr("By Custom Color…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(openColorDialog())); m_actions.append(action); action = new QAction(tr("By Atomic Index…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(applyIndexColors())); m_actions.append(action); action = new QAction(tr("By Distance…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(applyDistanceColors())); m_actions.append(action); action = new QAction(tr("By Element"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(resetColors())); m_actions.append(action); // not sure if we want to color atoms by residue or not... action = new QAction(tr("By Custom Color…"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(openColorDialogResidue())); m_actions.append(action); action = new QAction(tr("By Chain"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(resetColorsResidue())); m_actions.append(action); action = new QAction(tr("By Partial Charge…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(applyChargeColors())); m_actions.append(action); action = new QAction(tr("By Secondary Structure"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(applySecondaryStructureColors())); m_actions.append(action); action = new QAction(tr("By Amino Acid"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(applyAminoColors())); m_actions.append(action); action = new QAction(tr("By Shapely Scheme"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(applyShapelyColors())); m_actions.append(action); } ApplyColors::~ApplyColors() { if (m_dialog) m_dialog->deleteLater(); } ColormapType ApplyColors::getColormapFromString(const QString& name) const { // Just do all of them, even though we won't use them all if (name == tr("Parula", "colormap")) return ColormapType::Parula; else if (name == tr("Heat", "colormap")) return ColormapType::Heat; else if (name == tr("Hot", "colormap")) return ColormapType::Hot; else if (name == tr("Gray", "colormap")) return ColormapType::Gray; else if (name == tr("Magma", "colormap")) return ColormapType::Magma; else if (name == tr("Inferno", "colormap")) return ColormapType::Inferno; else if (name == tr("Plasma", "colormap")) return ColormapType::Plasma; else if (name == tr("Viridis", "colormap")) return ColormapType::Viridis; else if (name == tr("Cividis", "colormap")) return ColormapType::Cividis; else if (name == tr("Spectral", "colormap")) return ColormapType::Spectral; else if (name == tr("Coolwarm", "colormap")) return ColormapType::Coolwarm; else if (name == tr("Balance", "colormap")) return ColormapType::Balance; else if (name == tr("Blue-DarkRed", "colormap")) return ColormapType::BlueDkRed; else if (name == tr("Turbo", "colormap")) return ColormapType::Turbo; return ColormapType::Turbo; } QString ApplyColors::description() const { return tr("Apply color schemes to atoms and residues."); } QList ApplyColors::actions() const { return m_actions; } QStringList ApplyColors::menuPath(QAction* action) const { if (action->data() == atomColors) return QStringList() << tr("&View") << tr("Color Atoms"); else if (action->data() == residueColors) return QStringList() << tr("&View") << tr("Color Residues"); else return QStringList(); } void ApplyColors::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void ApplyColors::openColorDialog() { if (m_dialog == nullptr) { m_dialog = new QColorDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(currentColorChanged(const QColor&)), SLOT(applyCustomColor(const QColor&))); } m_dialog->exec(); } // TODO - read colormap gradients (e.g., turbo) Vector3ub rainbowGradient(const float value, const ColormapType type = ColormapType::Turbo) { auto color = tinycolormap::GetColor(value, type); Vector3ub ci(color.ri(), color.gi(), color.bi()); return ci; } Vector3ub chargeGradient(const float value, const float clamp, const ColormapType type = ColormapType::Coolwarm) { // okay, typically color scales have blue at the bottom, red at the top. // so we need to invert, so blue is positive charge, red is negative charge. // we also need to scale the color to the range of the charge. float scaledValue = value / clamp; // from -1 to 1.0 float scaledValue2 = 1.0 - ((scaledValue + 1.0) / 2.0); // from 0 to 1.0 red to blue auto color = tinycolormap::GetColor(scaledValue2, type); Vector3ub ci(color.ri(), color.gi(), color.bi()); return ci; } void ApplyColors::applyIndexColors() { if (m_molecule == nullptr) return; // check on colormap ColormapType type = ColormapType::Turbo; QStringList colormaps; bool ok; colormaps << tr("Parula", "colormap") << tr("Magma", "colormap") << tr("Inferno", "colormap") << tr("Plasma", "colormap") << tr("Viridis", "colormap") << tr("Cividis", "colormap") << tr("Spectral", "colormap") << tr("Turbo", "colormap"); QString item = QInputDialog::getItem( nullptr, tr("Select Colormap"), tr("Colormap:"), colormaps, 7, false, &ok); if (ok) { type = getColormapFromString(item); } bool isSelection = !m_molecule->isSelectionEmpty(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Index Colors")); auto numAtoms = rwmol->atomCount(); for (Index i = 0; i < numAtoms; ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; float indexFraction = float(i) / (float(numAtoms) - 1); rwmol->setColor(i, rainbowGradient(indexFraction, type)); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyChargeColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); // get the list of possible models const auto identifiers = Calc::ChargeManager::instance().identifiersForMolecule(*m_molecule); if (identifiers.empty()) return; // populate the dialog to choose the model and colormap ChargeColorDialog dialog; for (const auto& model : identifiers) { auto name = Calc::ChargeManager::instance().nameForModel(model); dialog.modelCombo->addItem(name.c_str(), model.c_str()); } dialog.exec(); if (dialog.result() != QDialog::Accepted) return; // get the model and colormap const auto model = dialog.modelCombo->currentData().toString().toStdString(); const auto colormapName = dialog.colorMapCombo->currentText(); const auto type = getColormapFromString(colormapName); // first off, get the range of partial charges auto numAtoms = m_molecule->atomCount(); float minCharge = 0.0f; float maxCharge = 0.0f; auto charges = Calc::ChargeManager::instance().partialCharges(model, *m_molecule); // check if the model string is already a partial charge type if (m_molecule->partialChargeTypes().find(model) != m_molecule->partialChargeTypes().end()) { charges = m_molecule->partialCharges(model); } for (Index i = 0; i < numAtoms; ++i) { float charge = charges(i, 0); minCharge = std::min(minCharge, charge); maxCharge = std::max(maxCharge, charge); } // now apply the colors float clamp = std::max(std::abs(minCharge), std::abs(maxCharge)); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Charge Colors")); for (Index i = 0; i < numAtoms; ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; rwmol->setColor(i, chargeGradient(charges(i, 0), clamp, type)); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyDistanceColors() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool isSelection = !m_molecule->isSelectionEmpty(); // check on colormap ColormapType type = ColormapType::Turbo; QStringList colormaps; bool ok; colormaps << tr("Parula", "colormap") << tr("Magma", "colormap") << tr("Inferno", "colormap") << tr("Plasma", "colormap") << tr("Viridis", "colormap") << tr("Cividis", "colormap") << tr("Spectral", "colormap") << tr("Turbo", "colormap"); QString item = QInputDialog::getItem( nullptr, tr("Select Colormap"), tr("Colormap:"), colormaps, 7, false, &ok); if (ok) { type = getColormapFromString(item); } Vector3 firstPos = m_molecule->atomPosition3d(0); Real size = 2.0 * m_molecule->radius(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Distance Colors")); auto numAtoms = rwmol->atomCount(); for (Index i = 0; i < numAtoms; ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; Vector3 currPos = m_molecule->atomPosition3d(i); Vector3 diff = currPos - firstPos; Real distance = diff.norm(); Real distanceFraction = distance / size; rwmol->setColor(i, rainbowGradient(distanceFraction, type)); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::resetColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Reset Atom Colors")); for (Index i = 0; i < rwmol->atomCount(); ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; Vector3ub color(Core::Elements::color(m_molecule->atomicNumber(i))); rwmol->setColor(i, color); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyCustomColor(const QColor& new_color) { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); Vector3ub color; // map to our types color[0] = static_cast(new_color.red()); color[1] = static_cast(new_color.green()); color[2] = static_cast(new_color.blue()); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Custom Color")); for (Index i = 0; i < rwmol->atomCount(); ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; rwmol->setColor(i, color); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::openColorDialogResidue() { if (m_dialog == nullptr) { m_dialog = new QColorDialog(qobject_cast(parent())); } m_dialog->disconnect(); connect(m_dialog, SIGNAL(currentColorChanged(const QColor&)), SLOT(applyCustomColorResidue(const QColor&))); m_dialog->exec(); } void ApplyColors::applyCustomColorResidue(const QColor& new_color) { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); Vector3ub color; // map to our types color[0] = static_cast(new_color.red()); color[1] = static_cast(new_color.green()); color[2] = static_cast(new_color.blue()); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Custom Residue Color")); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection) { auto caAtom = residue.atomByName("CA"); if (!caAtom.isValid() || !m_molecule->atomSelected(caAtom.index())) continue; } rwmol->setResidueColor(i, color); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::resetColorsResidue() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Reset Residue Colors")); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection) { auto caAtom = residue.atomByName("CA"); if (!caAtom.isValid() || !m_molecule->atomSelected(caAtom.index())) continue; } int offset = 0; char chainId = residue.chainId(); if (chainId >= 'A' && chainId <= 'Z') offset = chainId - 'A'; else if (chainId >= 'a' && chainId <= 'z') offset = chainId - 'a'; else if (chainId >= '0' && chainId <= '9') offset = chainId - '0' + 15; // starts at 'P' Vector3ub color(Core::chain_color[offset]); rwmol->setResidueColor(i, color); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applySecondaryStructureColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Secondary Structure Colors")); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection) { auto caAtom = residue.atomByName("CA"); if (!caAtom.isValid() || !m_molecule->atomSelected(caAtom.index())) continue; } Core::Residue::SecondaryStructure type = residue.secondaryStructure(); if (type < 0 || type > 7) { type = Core::Residue::SecondaryStructure::coil; } Vector3ub color(Core::secondary_color[type]); rwmol->setResidueColor(i, color); } // end loop rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } int residueNameToOffset(const std::string& name) { std::string residueName(name); // ensure it's always in uppercase for (auto& c : residueName) c = (unsigned char)toupper(c); // used for "amino" and "shapely" color schemes int offset = 22; // other if (residueName == "ALA") offset = 0; else if (residueName == "ARG") offset = 1; else if (residueName == "ASN") offset = 2; else if (residueName == "ASP") offset = 3; else if (residueName == "CYS") offset = 4; else if (residueName == "GLN") offset = 5; else if (residueName == "GLU") offset = 6; else if (residueName == "GLY") offset = 7; else if (residueName == "HIS") offset = 8; else if (residueName == "ILE") offset = 9; else if (residueName == "LEU") offset = 10; else if (residueName == "LYS") offset = 11; else if (residueName == "MET") offset = 12; else if (residueName == "PHE") offset = 13; else if (residueName == "PRO") offset = 14; else if (residueName == "SER") offset = 15; else if (residueName == "THR") offset = 16; else if (residueName == "TRP") offset = 17; else if (residueName == "TYR") offset = 18; else if (residueName == "VAL") offset = 19; else if (residueName == "ASX") offset = 20; else if (residueName == "GLX") offset = 21; else offset = 22; // default return offset; } void ApplyColors::applyAminoColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Amino Acid Colors")); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection) { auto caAtom = residue.atomByName("CA"); if (!caAtom.isValid() || !m_molecule->atomSelected(caAtom.index())) continue; } int offset = residueNameToOffset(residue.residueName()); Vector3ub color(Core::amino_color[offset]); rwmol->setResidueColor(i, color); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyShapelyColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); auto* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Apply Shapely Colors")); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection) { auto caAtom = residue.atomByName("CA"); if (!caAtom.isValid() || !m_molecule->atomSelected(caAtom.index())) continue; } int offset = residueNameToOffset(residue.residueName()); Vector3ub color(Core::shapely_color[offset]); rwmol->setResidueColor(i, color); } rwmol->endMergeMode(); m_molecule->emitChanged(QtGui::Molecule::Atoms); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/applycolors/applycolors.h000066400000000000000000000032521516317240700304130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APPLYCOLORS_H #define AVOGADRO_QTPLUGINS_APPLYCOLORS_H #include #include #include class QColorDialog; namespace Avogadro::QtPlugins { /** * @brief The ApplyColors class is an extension to modify apply custom colors. */ class ApplyColors : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ApplyColors(QObject* parent_ = nullptr); ~ApplyColors() override; QString name() const override { return tr("ApplyColors"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void openColorDialog(); void applyCustomColor(const QColor& color); void applyDistanceColors(); void applyIndexColors(); void applyChargeColors(); void resetColors(); void openColorDialogResidue(); void applyCustomColorResidue(const QColor& color); void applyAminoColors(); void applyShapelyColors(); void applySecondaryStructureColors(); void resetColorsResidue(); private: QList m_actions; QtGui::Molecule* m_molecule; QColorDialog* m_dialog; tinycolormap::ColormapType getColormapFromString(const QString& name) const; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_APPLYCOLORS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/applycolors/chargedialog.ui000066400000000000000000000056071516317240700306510ustar00rootroot00000000000000 ChargeDialog 0 0 293 126 Partial Charges Colormap: QDialogButtonBox::Cancel|QDialogButtonBox::Ok Balance Blue-DarkRed Coolwarm Spectral Turbo Charge Model: Qt::Vertical 20 40 modelCombo colorMapCombo buttonBox rejected() ChargeDialog reject() 194 105 146 62 buttonBox accepted() ChargeDialog accept() 194 105 146 62 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/000077500000000000000000000000001516317240700250155ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/CMakeLists.txt000066400000000000000000000004201516317240700275510ustar00rootroot00000000000000set(autoopt_srcs autoopt.cpp ) set(autoopt_rcs autoopt.qrc ) avogadro_plugin(AutoOpt "AutoOpt" ToolPlugin autoopt.h AutoOpt "${autoopt_srcs}" "${autoopt_uis}" "${autoopt_rcs}" ) target_link_libraries(AutoOpt PRIVATE Avogadro::QtOpenGL Avogadro::Calc) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/autoopt.cpp000066400000000000000000000652341516317240700272260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "autoopt.h" #include "csvrthermostat.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::RWAtom; #define ROTATION_SPEED 0.5 AutoOpt::AutoOpt(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_pressedButtons(Qt::NoButton), m_toolWidget(nullptr), m_currentMethod("LJ") { QString shortcut = tr("Ctrl+7", "control-key 7"); m_activateAction->setText(tr("Auto Optimize")); m_activateAction->setToolTip( tr("Auto Optimize Tool\t(%1)\n\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms.") .arg(shortcut)); setIcon(); // used to run the optimization step connect(&m_timer, &QTimer::timeout, this, &AutoOpt::optimizeStep); // set up the the thermostat m_thermostat = new CSVRThermostat(m_temperature, m_timeStep, m_timeStep * 200.0); } AutoOpt::~AutoOpt() { cleanupWorker(); delete m_thermostat; } void AutoOpt::cleanupWorker() { if (m_workerThread) { m_workerThread->quit(); m_workerThread->wait(5000); m_workerThread = nullptr; m_worker = nullptr; } m_computePending = false; } void AutoOpt::startWorker() { cleanupWorker(); auto n = m_molecule->atomCount(); auto mask = m_molecule->molecule().frozenAtomMask(); if (mask.rows() != static_cast(3 * n)) mask = Eigen::VectorXd::Ones(3 * n); auto constraints = m_molecule->molecule().constraints(); auto* calc = Calc::EnergyManager::instance().model(m_currentMethod); if (calc == nullptr) return; Core::Molecule snapshot = static_cast(m_molecule->molecule()); m_workerThread = new QThread(this); m_worker = new QtGui::CalcWorker(); m_worker->moveToThread(m_workerThread); connect(m_workerThread, &QThread::finished, m_worker, &QObject::deleteLater); m_workerThread->start(); // Connect signals based on task if (m_task == 0) { connect(m_worker, &QtGui::CalcWorker::optimizeFinished, this, &AutoOpt::onOptimizeStepDone); } else { connect(m_worker, &QtGui::CalcWorker::evaluateFinished, this, &AutoOpt::onGradientDone); } connect(m_worker, &QtGui::CalcWorker::calculatorReady, this, &AutoOpt::onWorkerReady); // Now invoke initCalculator after connections are established QMetaObject::invokeMethod( m_worker, "initCalculator", Qt::QueuedConnection, Q_ARG(Avogadro::Calc::EnergyCalculator*, calc), Q_ARG(Avogadro::Core::Molecule, snapshot), Q_ARG(Eigen::VectorXd, mask), Q_ARG(std::vector, constraints)); } void AutoOpt::setIcon(bool darkTheme) { Q_UNUSED(darkTheme); m_activateAction->setIcon(QIcon(":/icons/autoopt.svg")); } void setMasses(Eigen::ArrayXd& masses, const QtGui::Molecule* mol) { masses.resize(mol->atomCount() * 3); // 3N to match coordinates for (unsigned int i = 0; i < mol->atomCount(); i++) { Real mass = mol->atom(i).mass(); if (mass < 0.5) mass = 1.0; // for dummy atoms masses[i * 3] = mass; masses[i * 3 + 1] = mass; masses[i * 3 + 2] = mass; } } void AutoOpt::setMolecule(QtGui::Molecule* mol) { if (mol != nullptr) { m_molecule = mol->undoMolecule(); // connect to any molecule changes connect(mol, SIGNAL(changed(unsigned int)), SLOT(moleculeChanged(unsigned int))); setMasses(m_masses, mol); } } void AutoOpt::moleculeChanged(unsigned int changes) { // qDebug() << "molecule changed" << changes; if (m_running && (changes != (Molecule::Atoms | Molecule::Moved))) { // restart stop(); start(); } } QWidget* AutoOpt::toolWidget() const { QSettings settings; if (!m_toolWidget && m_molecule) { m_toolWidget = new QWidget(); m_toolWidget->setWindowTitle("AutoOptimization"); // set up a form layout QFormLayout* form = new QFormLayout(m_toolWidget); QComboBox* taskComboBox = new QComboBox(); taskComboBox->setObjectName("taskComboBox"); taskComboBox->addItem(tr("Optimize")); taskComboBox->addItem(tr("Dynamics")); taskComboBox->setCurrentIndex(0); connect(taskComboBox, &QComboBox::currentIndexChanged, this, &AutoOpt::taskChanged); form->addRow(tr("Task:"), taskComboBox); // method combo box QComboBox* methodComboBox = new QComboBox(); methodComboBox->setObjectName("methodComboBox"); // check the methods for this molecule auto mol = m_molecule->molecule(); auto list = Calc::EnergyManager::instance().identifiersForMolecule(mol); for (auto option : list) { methodComboBox->addItem(option.c_str()); } // check for the previous saved method auto recommended = Calc::EnergyManager::instance().recommendedModel(mol); QString currentMethod = settings.value("autoopt/method", recommended.c_str()).toString(); // check to make sure currentMethod is in the list // otherwise use recommended if (!methodComboBox->findText(currentMethod)) currentMethod = recommended.c_str(); methodComboBox->setCurrentIndex(methodComboBox->findText(currentMethod)); connect(methodComboBox, &QComboBox::currentTextChanged, this, &AutoOpt::methodChanged); form->addRow(tr("Method:"), methodComboBox); // add a temperature double spin box for dynamics QDoubleSpinBox* temperatureSpinBox = new QDoubleSpinBox(); temperatureSpinBox->setObjectName("temperatureSpinBox"); temperatureSpinBox->setRange(0.0, 1000.0); temperatureSpinBox->setSingleStep(1.0); temperatureSpinBox->setDecimals(1); temperatureSpinBox->setSuffix(" K"); // don't translate units temperatureSpinBox->setValue(300.0); connect(temperatureSpinBox, &QDoubleSpinBox::valueChanged, this, &AutoOpt::temperatureChanged); form->addRow(tr("Temperature:"), temperatureSpinBox); // add a timestep double spin box for dynamics QDoubleSpinBox* timeStepSpinBox = new QDoubleSpinBox(); timeStepSpinBox->setObjectName("timeStepSpinBox"); timeStepSpinBox->setRange(0.1, 10.0); timeStepSpinBox->setSingleStep(0.5); timeStepSpinBox->setDecimals(1); timeStepSpinBox->setSuffix(" fs"); // don't translate units timeStepSpinBox->setValue(1.0); connect(timeStepSpinBox, &QDoubleSpinBox::valueChanged, this, &AutoOpt::timeStepChanged); form->addRow(tr("Timestep:"), timeStepSpinBox); // disable the temperature and timestep for now temperatureSpinBox->setEnabled(false); timeStepSpinBox->setEnabled(false); // start stop button QPushButton* startStopButton = new QPushButton(tr("Start")); startStopButton->setObjectName("startStopButton"); startStopButton->setIcon(QIcon::fromTheme("go-down")); connect(startStopButton, &QPushButton::clicked, this, &AutoOpt::startStop); form->addRow(startStopButton); m_toolWidget->setLayout(form); } return m_toolWidget; } void AutoOpt::taskChanged(int index) { m_task = index; auto temperatureSpinBox = m_toolWidget->findChild("temperatureSpinBox"); auto timeStepSpinBox = m_toolWidget->findChild("timeStepSpinBox"); bool enabled = (index == 1); temperatureSpinBox->setEnabled(enabled); timeStepSpinBox->setEnabled(enabled); if (index == 1) { // dynamics // enable the temperature and timestep disconnect(&m_timer, &QTimer::timeout, this, &AutoOpt::optimizeStep); connect(&m_timer, &QTimer::timeout, this, &AutoOpt::dynamicsStep); } else { // disable the temperature and timestep disconnect(&m_timer, &QTimer::timeout, this, &AutoOpt::dynamicsStep); connect(&m_timer, &QTimer::timeout, this, &AutoOpt::optimizeStep); } } void AutoOpt::temperatureChanged(double temp) { m_temperature = temp; } void AutoOpt::timeStepChanged(double timeStep) { m_timeStep = timeStep; } void AutoOpt::startStop() { if (m_running) stop(); else start(); } void AutoOpt::start() { // get the button from the widget QPushButton* startStopButton = m_toolWidget->findChild("startStopButton"); startStopButton->setText(tr("Stop")); startStopButton->setIcon(QIcon::fromTheme("process-stop")); m_running = true; // make sure method is set if (m_toolWidget) { auto comboBox = m_toolWidget->findChild("methodComboBox"); QString currentMethod = comboBox->currentText(); m_currentMethod = currentMethod.toStdString(); } m_molecule->beginMergeMode("AutoOpt"); m_energy = 0.0; m_deltaE = 0.0; // set up masses first (needed for velocity initialization) setMasses(m_masses, &m_molecule->molecule()); // set the initial velocities m_velocities.resize(m_molecule->atomCount() * 3); m_acceleration.resize(m_molecule->atomCount() * 3); m_acceleration.setZero(); m_firstStep = true; // reset for Velocity Verlet if (m_task == 1) { // For dynamics, initialize to Maxwell-Boltzmann distribution m_thermostat->setTargetTemperature(m_temperature); // Count free coordinates from the frozen atom mask auto mask = m_molecule->molecule().frozenAtomMask(); int freeDOF = 3 * m_molecule->atomCount(); if (mask.rows() == freeDOF) freeDOF = static_cast(mask.sum()); // Subtract 3 for overall translation unless periodic (unit cell) if (m_molecule->molecule().unitCell() == nullptr) freeDOF -= 3; m_thermostat->setDegreesOfFreedom(std::max(freeDOF, 1)); m_thermostat->initializeVelocities(m_velocities, m_masses); } else { m_velocities.setZero(); } // Start the worker thread — timer begins in onWorkerReady startWorker(); emit drawablesChanged(); } void AutoOpt::onWorkerReady() { if (!m_running) return; // Now that the worker is ready, start the timer qint64 minimumStep = 33; // 30 fps m_oneStepTime = minimumStep; m_timer.start(m_oneStepTime); } void AutoOpt::stop() { m_timer.stop(); m_running = false; cleanupWorker(); // get the button from the widget QPushButton* startStopButton = m_toolWidget->findChild("startStopButton"); startStopButton->setText(tr("Start")); startStopButton->setIcon(QIcon::fromTheme("go-down")); m_molecule->endMergeMode(); emit drawablesChanged(); } void AutoOpt::methodChanged(const QString& method) { m_currentMethod = method.toStdString(); // save the choice for next time QSettings settings; settings.setValue("autoopt/method", method); // need to stop the current optimization, // then restart after a brief pause if (m_running) { stop(); start(); } } void AutoOpt::optimizeStep() { if (!m_running) { m_timer.stop(); return; } // Skip if a previous computation is still in progress if (m_computePending || !m_worker) return; int n = m_molecule->atomCount(); Core::Array pos = m_molecule->atomPositions3d(); Eigen::Map map(pos[0].data(), 3 * n); Eigen::VectorXd positions = map; Calc::OptimizationOptions options; options.algorithm = Calc::OptimizationAlgorithm::Lbfgs; options.chunkIterations = 2; m_computePending = true; QMetaObject::invokeMethod( m_worker, "runOptimizeChunk", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions), Q_ARG(Avogadro::Calc::OptimizationOptions, options)); } void AutoOpt::onOptimizeStepDone(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged) { Q_UNUSED(gradient); Q_UNUSED(converged); m_computePending = false; if (!m_running || m_molecule == nullptr) return; int n = m_molecule->atomCount(); if (std::isfinite(energy) && positions.allFinite()) { m_deltaE = energy - m_energy; m_energy = energy; Core::Array pos(n); Eigen::Map(pos[0].data(), 3 * n) = positions; m_molecule->setAtomPositions3d(pos, tr("Optimize Geometry")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Moved; m_molecule->emitChanged(changes); } } void AutoOpt::dynamicsStep() { if (!m_running) { m_timer.stop(); return; } // Skip if a previous computation is still in progress if (m_computePending || !m_worker) return; int n = m_molecule->atomCount(); double dt = m_timeStep; Core::Array pos = m_molecule->atomPositions3d(); Eigen::Map map(pos[0].data(), 3 * n); Eigen::VectorXd positions = map; // get the frozen atoms auto mask = m_molecule->molecule().frozenAtomMask(); if (mask.rows() != 3 * n) mask = Eigen::VectorXd::Ones(3 * n); // check m_masses if (m_masses.rows() != 3 * n) setMasses(m_masses, &(m_molecule->molecule())); // Velocity Verlet Step 1: Update positions // x(t+dt) = x(t) + v(t)*dt + 0.5*a(t)*dt^2 Eigen::VectorXd velocityTerm = m_velocities * dt; Eigen::VectorXd accelTerm = 0.5 * m_acceleration * dt * dt; // zero out frozen atoms from the mask velocityTerm = velocityTerm.array() * mask.array(); accelTerm = accelTerm.array() * mask.array(); Eigen::VectorXd newPositions = positions + velocityTerm + accelTerm; // Limit maximum displacement per atom to prevent instability. const double baseDisplacement = 0.33 * std::sqrt(12.0 / 300.0); Eigen::ArrayXd maxDisplacements = baseDisplacement * (m_temperature / m_masses).sqrt(); Eigen::VectorXd displacement = newPositions - positions; for (int i = 0; i < n; ++i) { double dist = displacement.segment<3>(3 * i).norm(); double limit = maxDisplacements[3 * i]; if (dist > limit) { double scale = limit / dist; displacement.segment<3>(3 * i) *= scale; m_velocities.segment<3>(3 * i) *= scale; } } newPositions = positions + displacement; // Update molecule positions immediately (visual feedback) if (newPositions.allFinite()) { Core::Array newPos(n); Eigen::Map(newPos[0].data(), 3 * n) = newPositions; m_molecule->setAtomPositions3d(newPos, tr("Molecular Dynamics")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Moved; m_molecule->emitChanged(changes); } // Send newPositions to worker for gradient computation (Verlet Step 2) m_computePending = true; QMetaObject::invokeMethod(m_worker, "runGradient", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, newPositions)); } void AutoOpt::onGradientDone(Eigen::VectorXd gradient, double energy) { Q_UNUSED(energy); m_computePending = false; if (!m_running || m_molecule == nullptr) return; int n = m_molecule->atomCount(); double dt = m_timeStep; auto mask = m_molecule->molecule().frozenAtomMask(); if (mask.rows() != 3 * n) mask = Eigen::VectorXd::Ones(3 * n); // update the thermostat settings int freeDOF = static_cast(mask.sum()); if (m_molecule->molecule().unitCell() == nullptr) freeDOF -= 3; m_thermostat->setTargetTemperature(m_temperature); m_thermostat->setTimeStep(m_timeStep); m_thermostat->setDegreesOfFreedom(std::max(freeDOF, 1)); // Guard against NaN/Inf from the gradient if (!gradient.allFinite()) gradient.setZero(); Eigen::VectorXd newAcceleration = -units::FORCE_CONVERSION * gradient.array() / m_masses.array(); if (m_firstStep) { m_acceleration = newAcceleration; m_firstStep = false; } // Velocity Verlet Step 3: Update velocities // v(t+dt) = v(t) + 0.5*(a(t) + a(t+dt))*dt m_velocities += 0.5 * (m_acceleration + newAcceleration) * dt; // zero out frozen coords from the mask m_velocities = m_velocities.array() * mask.array(); newAcceleration = newAcceleration.array() * mask.array(); // Store new acceleration for next step m_acceleration = newAcceleration; // Apply thermostat m_thermostat->apply(m_velocities, m_masses); #ifndef NDEBUG qDebug() << " temperature " << m_thermostat->compute_temperature(m_velocities, m_masses); #endif } void AutoOpt::draw(Rendering::GroupNode& node) { if (!m_running) return; // nothing to draw QString overlayText; if (m_task == 1) { // dynamics step double temp = m_thermostat->compute_temperature(m_velocities, m_masses); overlayText = tr("%1 T = %L2", "temperature in Kelvin") .arg(m_currentMethod.c_str()) .arg(temp, 0, 'f', 1) + " K"; } else { overlayText = tr("%1 ΔE = %L2", "change in energy in kJ/mol") .arg(m_currentMethod.c_str()) .arg(m_deltaE, 0, 'f', 2) + " kJ/mol"; } auto* geo = new GeometryNode; node.addChild(geo); TextProperties overlayTProp; overlayTProp.setFontFamily(TextProperties::Mono); // black text as a default Vector3ub color(0, 0, 0); if (m_renderer) { auto backgroundColor = m_renderer->scene().backgroundColor(); color = Core::contrastColor( Vector3ub(backgroundColor[0], backgroundColor[1], backgroundColor[2])); } overlayTProp.setColorRgb(color[0], color[1], color[2]); overlayTProp.setAlign(TextProperties::HLeft, TextProperties::VTop); auto* label = new TextLabel2D; label->setText(overlayText.toStdString()); label->setTextProperties(overlayTProp); label->setRenderPass(Rendering::Overlay2DPass); // align to the top left so get the viewport height int height = m_renderer->camera().height(); label->setAnchor(Vector2i(10, height - 10)); geo->addDrawable(label); } QUndoCommand* AutoOpt::keyPressEvent(QKeyEvent* e) { switch (e->key()) { case Qt::Key_Left: case Qt::Key_H: case Qt::Key_A: translate(Vector3(-0.1, 0.0, 0.0)); e->accept(); break; case Qt::Key_Right: case Qt::Key_L: case Qt::Key_D: translate(Vector3(+0.1, 0.0, 0.0)); e->accept(); break; case Qt::Key_Up: case Qt::Key_K: case Qt::Key_W: translate(Vector3(0.0, +0.1, 0.0)); e->accept(); break; case Qt::Key_Down: case Qt::Key_J: case Qt::Key_S: translate(Vector3(0.0, -0.1, 0.0)); e->accept(); break; default: e->ignore(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); return nullptr; } QUndoCommand* AutoOpt::mousePressEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; updatePressedButtons(e, false); m_lastMousePosition = e->pos(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); m_lastMouse3D = m_renderer->camera().unProject(windowPos); if (m_molecule) { m_molecule->setInteractive(true); } if (m_pressedButtons & Qt::LeftButton) { m_object = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_object.type) { case Rendering::AtomType: e->accept(); return nullptr; default: break; } } return nullptr; } QUndoCommand* AutoOpt::mouseReleaseEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; updatePressedButtons(e, true); if (m_object.type == Rendering::InvalidType) return nullptr; if (m_molecule) { m_molecule->setInteractive(false); } switch (e->button()) { case Qt::LeftButton: case Qt::RightButton: resetObject(); e->accept(); break; default: break; } return nullptr; } QUndoCommand* AutoOpt::mouseMoveEvent(QMouseEvent* e) { // if we're dragging through empty space, just return and ignore // (e.g., fall back to the navigate tool) const Core::Molecule* mol = &m_molecule->molecule(); if (mol->isSelectionEmpty() && m_object.type == Rendering::InvalidType) { e->ignore(); return nullptr; } updatePressedButtons(e, false); e->ignore(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); if (mol->isSelectionEmpty() && m_object.type == Rendering::AtomType && m_object.molecule == &m_molecule->molecule()) { // translate single atom position RWAtom atom = m_molecule->atom(m_object.index); Vector3f oldPos(atom.position3d().cast()); Vector3f newPos = m_renderer->camera().unProject(windowPos, oldPos); atom.setPosition3d(newPos.cast()); } else if (!mol->isSelectionEmpty()) { // update all selected atoms Vector3f newPos = m_renderer->camera().unProject(windowPos); Vector3 delta = (newPos - m_lastMouse3D).cast(); if (m_currentAction == Translation) { translate(delta); } else { // get the center of the selected atoms Vector3 centroid(0.0, 0.0, 0.0); unsigned long selectedAtomCount = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; centroid += m_molecule->atomPosition3d(i); selectedAtomCount++; } if (selectedAtomCount > 0) centroid /= selectedAtomCount; if (m_currentAction == Rotation) { rotate(delta, centroid); } else if (m_currentAction == ZoomTilt) { tilt(delta, centroid); } } // now that we've moved things, save the position m_lastMouse3D = newPos; } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); e->accept(); return nullptr; } void AutoOpt::translate(Vector3 delta, bool moveSelected) { for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d(i, currentPos + delta.cast()); } } void AutoOpt::rotate(Vector3 delta, Vector3 centroid, bool moveSelected) { // Rotate the selected atoms about the center // rotate only selected primitives Rendering::Camera* camera = &m_renderer->camera(); Eigen::Vector3d backTransformX = camera->modelView().cast().linear().row(0).transpose().normalized(); Eigen::Vector3d backTransformY = camera->modelView().cast().linear().row(1).transpose().normalized(); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; fragmentRotation.rotate( Eigen::AngleAxisd(delta[1] * ROTATION_SPEED, backTransformX)); fragmentRotation.rotate( Eigen::AngleAxisd(delta[0] * ROTATION_SPEED, backTransformY)); fragmentRotation.translate(-centroid); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void AutoOpt::axisRotate(Vector3 delta, Vector3 centroid, bool moveSelected) { // rotate by the x, y, z axes by delta[0], delta[1], delta[2] // (in radians) for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; // Rotate around the x-axis fragmentRotation.rotate( Eigen::AngleAxisd(delta[0], Vector3(1.0, 0.0, 0.0))); // Rotate around the y-axis fragmentRotation.rotate( Eigen::AngleAxisd(delta[1], Vector3(0.0, 1.0, 0.0))); // Rotate around the z-axis fragmentRotation.rotate( Eigen::AngleAxisd(delta[2], Vector3(0.0, 0.0, 1.0))); fragmentRotation.translate(-centroid); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void AutoOpt::tilt(Vector3 delta, Vector3 centroid) { // Rotate the selected atoms about the center // rotate only selected primitives Rendering::Camera* camera = &m_renderer->camera(); Eigen::Vector3d backTransformZ = camera->modelView().cast().linear().row(2).transpose().normalized(); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; fragmentRotation.rotate( Eigen::AngleAxisd(delta[0] * ROTATION_SPEED, backTransformZ)); fragmentRotation.translate(-centroid); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void AutoOpt::updatePressedButtons(QMouseEvent* e, bool release) { if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); // check for modifier keys (e.g., Mac) if (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::NoModifier) { m_currentAction = Translation; } else if (e->buttons() & Qt::MiddleButton || (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::ShiftModifier)) { m_currentAction = ZoomTilt; } else if (e->buttons() & Qt::RightButton || (e->buttons() & Qt::LeftButton && (e->modifiers() == Qt::ControlModifier || e->modifiers() == Qt::MetaModifier))) { m_currentAction = Rotation; } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/autoopt.h000066400000000000000000000102601516317240700266600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_AUTOOPT_H #define AVOGADRO_QTPLUGINS_AUTOOPT_H #include #include #include #include #include #include #include class QThread; namespace Avogadro { namespace QtGui { class CalcWorker; } namespace QtPlugins { class AutoOptWidget; class CSVRThermostat; /** * @class AutoOpt autoopt.h * * @brief Optimize the geometry of a molecule while manipulating it. * @author Geoff Hutchison * Based on the Manipulator class by @author Allison Vacanti */ class AutoOpt : public QtGui::ToolPlugin { Q_OBJECT public: explicit AutoOpt(QObject* parent_ = nullptr); ~AutoOpt() override; QString name() const override { return tr("Auto Optimize tool"); } QString description() const override { return tr("Interactive optimization of molecular geometry"); } unsigned char priority() const override { return 50; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override; void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; public slots: void startStop(); void start(); void stop(); void methodChanged(const QString& method); void moleculeChanged(unsigned int changes); void optimizeStep(); void dynamicsStep(); void onOptimizeStepDone(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged); void onGradientDone(Eigen::VectorXd gradient, double energy); void onWorkerReady(); void taskChanged(int task); void temperatureChanged(double temperature); void timeStepChanged(double timeStep); private: /** * Update the currently pressed buttons, accounting for modifier keys. * \todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); void resetObject() { m_object = Rendering::Identifier(); } void translate(Vector3 delta, bool moveSelected = true); void rotate(Vector3 delta, Vector3 centroid, bool moveSelected = true); void axisRotate(Vector3 delta, Vector3 centroid, bool moveSelected = true); void tilt(Vector3 delta, Vector3 centroid); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; Rendering::Identifier m_object; QPoint m_lastMousePosition; Vector3f m_lastMouse3D; Qt::MouseButtons m_pressedButtons; Real m_energy; Real m_deltaE; Real m_temperature = 300.0; // Kelvin Real m_timeStep = 1.0; // fs int m_task = 0; // default to optimization Eigen::VectorXd m_velocities; Eigen::VectorXd m_acceleration; // stored for Velocity Verlet bool m_firstStep = true; // flag for first dynamics step Eigen::ArrayXd m_masses; CSVRThermostat* m_thermostat = nullptr; mutable QWidget* m_toolWidget; bool m_running = false; qint64 m_oneStepTime = 0; QTimer m_timer; enum ToolAction { Nothing = 0, Rotation, Translation, ZoomTilt, Zoom }; ToolAction m_currentAction; std::string m_currentMethod; // Worker thread state QThread* m_workerThread = nullptr; QtGui::CalcWorker* m_worker = nullptr; bool m_computePending = false; void startWorker(); void cleanupWorker(); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_AUTOOPT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/autoopt.qrc000066400000000000000000000001371516317240700272200ustar00rootroot00000000000000 autoopt.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/autoopt.svg000066400000000000000000000006021516317240700272270ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/autoopt/csvrthermostat.h000066400000000000000000000277341516317240700302730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). CSVR Thermostat - Canonical Sampling through Velocity Rescaling Based on: Bussi, Donadio, Parrinello, J. Chem. Phys. 126, 014101 (2007) ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CSVRTHERMOSTAT_H #define AVOGADRO_QTPLUGINS_CSVRTHERMOSTAT_H #include #include #include #include namespace Avogadro::QtPlugins { // Unit conversion constants for MD with: // - positions in Angstroms (Å) // - time in femtoseconds (fs) // - mass in atomic mass units (amu) // - energy in kJ/mol (from force field) // - temperature in Kelvin (K) // // CRITICAL: The force field returns energy in kJ/mol, meaning the energy // for one mole of the ENTIRE SYSTEM (not per atom). The gradient is thus // in kJ/(mol·Å). For dynamics, we need accelerations that produce realistic // atomic velocities. // // Physical constants: // kB = 1.380649e-23 J/K (Boltzmann constant) // NA = 6.02214076e23 /mol (Avogadro's number) // 1 amu = 1.66054e-27 kg // 1 Å = 1e-10 m // 1 fs = 1e-15 s // namespace units { // For temperature calculation from kinetic energy: // T = 2 * KE / (n_dof * kB) // where KE is in kJ/mol and we want T in K. // Using R = kB * NA = 8.314 J/(mol·K) = 8.314e-3 kJ/(mol·K) constexpr double kB = 8.314462618e-3; // kJ/(mol*K) - this is R // Force/acceleration conversion: // The gradient from the force field is in kJ/(mol·Å). // We want acceleration in Å/fs². // // From F = ma: a = F/m = [kJ/(mol·Å)] / [amu] // // 1 kJ/(mol·Å·amu) = 1000 J / (6.022e23 · 1e-10 m · 1.66054e-27 kg) // = 1000 / (1e-13) m/s² = 1e16 m/s² // In Å/fs²: 1e16 m/s² · 1e10 Å/m · (1e-15)² s²/fs² = 1e-4 Å/fs² constexpr double FORCE_CONVERSION = 1e-4; // (kJ/mol/Å)/amu to Å/fs² } // namespace units class CSVRThermostat { private: double target_temp; // Target temperature (K) double coupling_time; // Coupling time constant - MUST BE IN SAME UNITS AS dt (fs) double dt; // Timestep (fs) unsigned int n_dof; // Number of degrees of freedom bool auto_dof; // Automatically calculate DOF from atom count bool remove_com; // Remove COM motion during velocity initialization bool enable_diagnostics; // Enable diagnostic output std::mt19937 rng; std::normal_distribution normal_dist; // Generate single Gaussian random number double gaussian_random() { return normal_dist(rng); } // Generate sum of squared Gaussian random numbers (chi-squared distribution) // For n degrees of freedom double sum_noises_squared(int n) { if (n <= 0) return 0.0; // didn't realize there was a chi-squared distribution std::chi_squared_distribution chi2(n); return chi2(rng); } public: CSVRThermostat(double T_target = 300.0, double timestep = 1.0, double tau = 100.0, int ndof = 3, unsigned seed = 12345) : target_temp(T_target), coupling_time(tau), dt(timestep), n_dof(ndof), auto_dof(true), remove_com(true), enable_diagnostics(false), rng(seed), normal_dist(0.0, 1.0) { // IMPORTANT: Default coupling_time is now 100 fs (0.1 ps) // Previously was 10, which if interpreted as ps would be 10000 fs // Ensure coupling_time and dt are in the same units! } // Setters void setTargetTemperature(double T_target) { target_temp = T_target; } // IMPORTANT: tau must be in the same units as dt (femtoseconds) // Typical values: 100-1000 fs (0.1-1.0 ps) void setCouplingTime(double tau) { coupling_time = tau; } void setTimeStep(double timestep) { dt = timestep; } // Set number of degrees of freedom manually // For N atoms: 3N (periodic), 3N-3 (non-periodic, COM removed), // 3N-6 (non-periodic, COM and rotation removed) void setDegreesOfFreedom(int ndof) { n_dof = ndof; auto_dof = false; // Disable automatic calculation } // Enable/disable automatic DOF calculation (default: enabled) // When enabled, DOF = 3*N_atoms - 3 (assumes COM motion removed) void setAutoDOF(bool enable) { auto_dof = enable; } // Enable/disable COM removal during velocity initialization void setRemoveCOM(bool enable) { remove_com = enable; } // Enable/disable diagnostic output void setDiagnostics(bool enable) { enable_diagnostics = enable; } // Getters for diagnostics double getTargetTemperature() const { return target_temp; } double getCouplingTime() const { return coupling_time; } double getTimeStep() const { return dt; } int getDegreesOfFreedom() const { return n_dof; } // Calculate current kinetic energy in Joules (SI) // This returns the kinetic energy for the entire system, not per mole. double compute_kinetic_energy(const Eigen::VectorXd& velocities, const Eigen::VectorXd& masses) { constexpr double Apfs_to_mps = 1e5; // (m/s) / (Å/fs) constexpr double amu_to_kg = 1.66054e-27; // kg/amu double ke = 0.0; int n_atoms = masses.size() / 3; for (int i = 0; i < n_atoms; ++i) { Eigen::Vector3d v = velocities.segment<3>(3 * i); double v_mps_sq = v.squaredNorm() * Apfs_to_mps * Apfs_to_mps; double m_kg = masses[3 * i] * amu_to_kg; ke += 0.5 * m_kg * v_mps_sq; } return ke; // in Joules } // Calculate current temperature from kinetic energy double compute_temperature(const Eigen::VectorXd& velocities, const Eigen::VectorXd& masses) { if (n_dof < 1) return 0.0; constexpr double kB_SI = 1.380649e-23; // J/K double ke = compute_kinetic_energy(velocities, masses); // T = 2 * KE / (n_dof * kB) return 2.0 * ke / (n_dof * kB_SI); } // Apply CSVR (Canonical Sampling through Velocity Rescaling) thermostat // Based on Bussi, Donadio, Parrinello, J. Chem. Phys. 126, 014101 (2007) // // This thermostat correctly samples the canonical ensemble by adding // stochastic terms to the velocity rescaling. Unlike Berendsen, it // produces correct fluctuations in kinetic energy. // // The algorithm implements Eq. (A7) from the paper: // K_new = K_old * c + K_target * (1-c) * (sum_i R_i^2) / n_dof // + 2 * sqrt(K_old * K_target * c * (1-c) / n_dof) * R_1 // // where c = exp(-dt/tau), R_i are independent Gaussian random numbers, // and the sum is over n_dof terms. void apply(Eigen::VectorXd& velocities, const Eigen::VectorXd& masses) { constexpr double kB_SI = 1.380649e-23; // J/K // Update DOF if automatic mode is enabled if (auto_dof) { int n_atoms = masses.size() / 3; n_dof = 3 * n_atoms - 3; // Remove 3 DOF for COM translation if (n_dof < 1) n_dof = 1; } // Current kinetic energy in Joules double ke_current = compute_kinetic_energy(velocities, masses); if (ke_current < 1e-30) { if (enable_diagnostics) { std::cerr << "CSVR Warning: Near-zero kinetic energy, skipping thermostat\n"; } return; } // Target kinetic energy from equipartition: KE = (n_dof/2) * kB * T double ke_target = 0.5 * n_dof * kB_SI * target_temp; // Exponential decay factor // CRITICAL: dt and coupling_time MUST be in the same units (both in fs) double c = std::exp(-dt / coupling_time); // Sanity check on c value if (c < 0.5 && enable_diagnostics) { std::cerr << "CSVR Warning: c=" << c << " is very small. " << "Check that dt (" << dt << ") and coupling_time (" << coupling_time << ") are in the same units (fs).\n"; } // CSVR formula from Bussi et al. Eq. (A7) // // K_new = c * K + (1-c) * K_target / Nf * (R1² + sum_{i=2}^{Nf} Ri²) // + 2 * sqrt(c * (1-c) * K * K_target / Nf) * R1 // // where R1 is the SAME Gaussian in both the linear and quadratic terms. // This is a non-central chi-squared variate and is always non-negative. // // CRITICAL: The previous implementation replaced R1² with E[R1²] = 1 // ("centering"), which broke the non-central chi-squared structure, // destroyed the R1/R1² correlation, and made ke_new occasionally negative. double R1 = gaussian_random(); // Sum of (n_dof - 1) independent squared Gaussians (for i = 2..Nf) double sum_Rsq_rest = sum_noises_squared(n_dof - 1); // Full chi-squared sum includes R1² from the same draw double chi_sq_sum = R1 * R1 + sum_Rsq_rest; // Compute new kinetic energy using correct CSVR formula (Eq. A7) double ke_new = c * ke_current + (1.0 - c) * ke_target / n_dof * chi_sq_sum + 2.0 * std::sqrt(c * (1.0 - c) * ke_current * ke_target / n_dof) * R1; // Safety net: The correct CSVR formula is a non-central chi-squared // variate and should always be non-negative. This guard should essentially // never fire, but we keep it for numerical safety (e.g., extreme // floating-point edge cases). if (ke_new < 0.0) { ke_new = ke_target * 0.01; if (enable_diagnostics) { std::cerr << "CSVR Warning: Negative KE computed (should be very rare " "with correct formula), clamping to small positive value\n"; } } // Compute scaling factor double alpha = std::sqrt(ke_new / ke_current); // Rescale all velocities velocities *= alpha; // Diagnostic output if (enable_diagnostics) { double T_before = 2.0 * ke_current / (n_dof * kB_SI); double T_after = 2.0 * ke_new / (n_dof * kB_SI); std::cerr << "CSVR: T_before=" << T_before << " T_after=" << T_after << " T_target=" << target_temp << " alpha=" << alpha << " c=" << c << " n_dof=" << n_dof << "\n"; } } // Initialize velocities to Maxwell-Boltzmann distribution at target // temperature velocities: 3N vector to be filled [vx0, vy0, vz0, vx1, vy1, // vz1, ...] masses: 3N vector [m0, m0, m0, m1, m1, m1, ...] void initializeVelocities(Eigen::VectorXd& velocities, const Eigen::VectorXd& masses) { int n_atoms = masses.size() / 3; // Update DOF if automatic mode is enabled if (auto_dof) { n_dof = 3 * n_atoms - 3; if (n_dof < 1) n_dof = 1; } constexpr double kB_SI = 1.380649e-23; // J/K constexpr double amu_to_kg = 1.66054e-27; // kg/amu constexpr double mps_to_Apfs = 1e-5; // (Å/fs) / (m/s) // Generate Maxwell-Boltzmann distributed velocities for (int i = 0; i < n_atoms; ++i) { double mass_kg = masses[3 * i] * amu_to_kg; double sigma_mps = std::sqrt(kB_SI * target_temp / mass_kg); double sigma = sigma_mps * mps_to_Apfs; velocities[3 * i] = sigma * gaussian_random(); velocities[3 * i + 1] = sigma * gaussian_random(); velocities[3 * i + 2] = sigma * gaussian_random(); } // Remove center of mass motion if enabled if (remove_com) { Eigen::Vector3d total_momentum = Eigen::Vector3d::Zero(); double total_mass = 0.0; for (int i = 0; i < n_atoms; ++i) { double mass = masses[3 * i]; total_momentum += mass * velocities.segment<3>(3 * i); total_mass += mass; } Eigen::Vector3d com_velocity = total_momentum / total_mass; for (int i = 0; i < n_atoms; ++i) { velocities.segment<3>(3 * i) -= com_velocity; } } // Rescale to exact target temperature double current_temp = compute_temperature(velocities, masses); if (current_temp > 0.0) { double scale = std::sqrt(target_temp / current_temp); velocities *= scale; } if (enable_diagnostics) { double final_temp = compute_temperature(velocities, masses); std::cerr << "CSVR: Initialized velocities at T=" << final_temp << "K (target=" << target_temp << "K)\n"; } } // Reseed the random number generator void reseed(unsigned seed) { rng.seed(seed); } }; } // namespace Avogadro::QtPlugins #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ballandstick/000077500000000000000000000000001516317240700257555ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ballandstick/CMakeLists.txt000066400000000000000000000003031516317240700305110ustar00rootroot00000000000000avogadro_plugin(BallStick "Ball and stick rendering scheme" ScenePlugin ballandstick.h BallAndStick ballandstick.cpp "") target_link_libraries(BallStick PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ballandstick/ballandstick.cpp000066400000000000000000000313321516317240700311160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ballandstick.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Elements; using QtGui::PluginLayerManager; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::SphereGeometry; struct LayerBallAndStick : Core::LayerData { QWidget* widget; bool multiBonds; bool showHydrogens; float atomScale; float bondRadius; float opacity; LayerBallAndStick() { widget = nullptr; QSettings settings; atomScale = settings.value("ballandstick/atomScale", 0.3).toDouble(); bondRadius = settings.value("ballandstick/bondRadius", 0.1).toDouble(); multiBonds = settings.value("ballandstick/multiBonds", true).toBool(); showHydrogens = settings.value("ballandstick/showHydrogens", true).toBool(); opacity = settings.value("ballandstick/opacity", 1.0).toDouble(); } LayerBallAndStick(std::string settings) { widget = nullptr; deserialize(settings); } ~LayerBallAndStick() override { if (widget) widget->deleteLater(); } std::string serialize() final { return boolToString(multiBonds) + " " + boolToString(showHydrogens) + " " + std::to_string(atomScale) + " " + std::to_string(bondRadius) + " " + std::to_string(opacity); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; multiBonds = stringToBool(aux); ss >> aux; showHydrogens = stringToBool(aux); ss >> aux; atomScale = std::stof(aux); ss >> aux; bondRadius = std::stof(aux); ss >> aux; if (!aux.empty()) opacity = std::stof(aux); // backwards compatibility } LayerData* clone() final { return new LayerBallAndStick(serialize()); } void setupWidget(BallAndStick* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; auto* f = new QFormLayout; auto* atomRadiusSlider = new QSlider(Qt::Horizontal); atomRadiusSlider->setMinimum(1); atomRadiusSlider->setMaximum(9); atomRadiusSlider->setTickInterval(1); atomRadiusSlider->setValue(atomScale * 10); QObject::connect(atomRadiusSlider, &QSlider::valueChanged, slot, &BallAndStick::atomRadiusChanged); f->addRow(QObject::tr("Atom scale"), atomRadiusSlider); auto* bondRadiusSlider = new QSlider(Qt::Horizontal); bondRadiusSlider->setMinimum(1); bondRadiusSlider->setMaximum(8); bondRadiusSlider->setTickInterval(1); bondRadiusSlider->setValue(bondRadius * 10); QObject::connect(bondRadiusSlider, &QSlider::valueChanged, slot, &BallAndStick::bondRadiusChanged); f->addRow(QObject::tr("Bond scale"), bondRadiusSlider); auto* opacitySlider = new QSlider(Qt::Horizontal); opacitySlider->setMinimum(0); opacitySlider->setMaximum(100); opacitySlider->setTickInterval(1); opacitySlider->setValue(static_cast(opacity * 100)); QObject::connect(opacitySlider, &QSlider::valueChanged, slot, &BallAndStick::opacityChanged); f->addRow(QObject::tr("Opacity"), opacitySlider); v->addLayout(f); auto* check = new QCheckBox(QObject::tr("Show multiple bonds")); check->setChecked(multiBonds); QObject::connect(check, &QCheckBox::clicked, slot, &BallAndStick::multiBonds); v->addWidget(check); check = new QCheckBox(QObject::tr("Show hydrogens")); check->setChecked(showHydrogens); QObject::connect(check, &QCheckBox::clicked, slot, &BallAndStick::showHydrogens); v->addWidget(check); v->addStretch(1); widget->setLayout(v); } } }; BallAndStick::BallAndStick(QObject* p) : ScenePlugin(p), m_group(nullptr) { m_layerManager = PluginLayerManager(m_name); } BallAndStick::~BallAndStick() {} void BallAndStick::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); // Add a sphere node to contain all of the spheres. m_group = &node; auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = reinterpret_cast(&molecule); spheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); // if we have to draw any translucent spheres, we need to add a separate // geometry node for them auto translucentSpheres = new SphereGeometry; translucentSpheres->setRenderPass(Rendering::TranslucentPass); translucentSpheres->identifier().molecule = reinterpret_cast(&molecule); translucentSpheres->identifier().type = Rendering::AtomType; geometry->addDrawable(translucentSpheres); // for the selected atoms auto selectedSpheres = new SphereGeometry; selectedSpheres->setOpacity(0.42); geometry->addDrawable(selectedSpheres); for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); if (!m_layerManager.atomEnabled(i)) { continue; } unsigned char atomicNumber = atom.atomicNumber(); auto* interface = m_layerManager.getSetting( m_layerManager.getLayerID(i)); if (atomicNumber == 1 && !interface->showHydrogens) continue; Vector3ub color = atom.color(); auto radius = static_cast(Elements::radiusVDW(atomicNumber)); float scale = interface->atomScale; if (interface->opacity < 1.0f) { translucentSpheres->addSphere(atom.position3d().cast(), color, radius * scale, i); translucentSpheres->setOpacity(interface->opacity); } else spheres->addSphere(atom.position3d().cast(), color, radius * scale, i); if (atom.selected()) { // add the selected indicator color = Vector3ub(0, 0, 255); radius *= 1.2; selectedSpheres->addSphere(atom.position3d().cast(), color, radius * scale, i); } } auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::BondType; geometry->addDrawable(cylinders); auto* translucentBonds = new CylinderGeometry; translucentBonds->setRenderPass(Rendering::TranslucentPass); translucentBonds->identifier().molecule = &molecule; translucentBonds->identifier().type = Rendering::BondType; float opacity = 1.0f; // for any translucent bonds geometry->addDrawable(translucentBonds); for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom1().index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom2().index())); if (!interface1->showHydrogens && !interface2->showHydrogens && (bond.atom1().atomicNumber() == 1 || bond.atom2().atomicNumber() == 1)) { continue; } bool doOpaque = true; if (interface1->opacity < 1.0f || interface2->opacity < 1.0f) { opacity = std::min(interface1->opacity, interface2->opacity); translucentBonds->setOpacity(opacity); doOpaque = false; } float bondRadius = (interface1->bondRadius + interface2->bondRadius) * 0.5f; Vector3f pos1 = bond.atom1().position3d().cast(); Vector3f pos2 = bond.atom2().position3d().cast(); Vector3ub color1 = bond.atom1().color(); Vector3ub color2 = bond.atom2().color(); Vector3f bondVector = pos2 - pos1; float bondLength = bondVector.norm(); bondVector /= bondLength; switch (interface1->multiBonds || interface2->multiBonds ? bond.order() : 1) { case 3: { Vector3f delta = bondVector.unitOrthogonal(); // Rotate 45 degrees around the bond vector. Eigen::Quaternionf q; q = Eigen::AngleAxisf(45.0f * DEG_TO_RAD_F, bondVector); delta = q * delta * 2.0f * bondRadius; if (doOpaque) { cylinders->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.15, color1, color2, i); cylinders->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.15, color1, color2, i); } else { translucentBonds->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.15, color1, color2, i); translucentBonds->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.15, color1, color2, i); } // This relies upon the single bond case below for the third cylinder. [[fallthrough]]; } default: case 1: if (doOpaque) { cylinders->addCylinder(pos1, pos2, m_bondRadius, color1, color2, i); } else { translucentBonds->addCylinder(pos1, pos2, m_bondRadius, color1, color2, i); } break; case 2: { Vector3f delta = bondVector.unitOrthogonal(); // Rotate 45 degrees around the bond vector. Eigen::Quaternionf q; q = Eigen::AngleAxisf(45.0f * DEG_TO_RAD_F, bondVector); delta = q * delta * bondRadius; if (doOpaque) { cylinders->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.3, color1, color2, i); cylinders->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.3, color1, color2, i); } else { translucentBonds->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.3, color1, color2, i); translucentBonds->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.3, color1, color2, i); } } } } } QWidget* BallAndStick::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } void BallAndStick::opacityChanged(int opacity) { m_opacity = static_cast(opacity) / 100.0f; auto* interface = m_layerManager.getSetting(); if (m_opacity != interface->opacity) { interface->opacity = m_opacity; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/opacity", m_opacity); } void BallAndStick::atomRadiusChanged(int value) { m_atomScale = static_cast(value) / 10.0f; auto* interface = m_layerManager.getSetting(); if (m_atomScale != interface->atomScale) { interface->atomScale = m_atomScale; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/atomScale", m_atomScale); } void BallAndStick::bondRadiusChanged(int value) { m_bondRadius = static_cast(value) / 10.0f; auto* interface = m_layerManager.getSetting(); if (m_bondRadius != interface->bondRadius) { interface->bondRadius = m_bondRadius; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/bondRadius", m_bondRadius); } void BallAndStick::multiBonds(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->multiBonds) { interface->multiBonds = show; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/multiBonds", show); } void BallAndStick::showHydrogens(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showHydrogens) { interface->showHydrogens = show; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/showHydrogens", show); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ballandstick/ballandstick.h000066400000000000000000000031021516317240700305550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_BALLANDSTICK_H #define AVOGADRO_QTPLUGINS_BALLANDSTICK_H #include namespace Avogadro::QtPlugins { /** * @brief Render a molecule in the ball and stick style. * @author Allison Vacanti */ class BallAndStick : public QtGui::ScenePlugin { Q_OBJECT public: explicit BallAndStick(QObject* parent = nullptr); ~BallAndStick() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Ball and Stick"); } QString description() const override { return tr("Render atoms as spheres and bonds as cylinders."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::True; } public slots: void atomRadiusChanged(int value); void bondRadiusChanged(int value); void multiBonds(bool show); void showHydrogens(bool show); void opacityChanged(int value); private: Rendering::GroupNode* m_group; std::string m_name = "Ball and Stick"; float m_atomScale = 0.3f; float m_bondRadius = 0.1f; float m_opacity = 1.0f; }; } // end namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_BALLANDSTICK_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/000077500000000000000000000000001516317240700265125ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/CMakeLists.txt000066400000000000000000000005611516317240700312540ustar00rootroot00000000000000set(bondcentrictool_srcs bondcentrictool.cpp ) set(bondcentrictool_uis ) set(bondcentrictool_rcs bondcentrictool.qrc ) avogadro_plugin(BondCentric "Bond-centric" ToolPlugin bondcentrictool.h BondCentricTool "${bondcentrictool_srcs}" "${bondcentrictool_uis}" "${bondcentrictool_rcs}" ) target_link_libraries(BondCentric PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/bondcentric_dark.svg000066400000000000000000000013421516317240700325260ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/bondcentric_light.svg000066400000000000000000000013421516317240700327140ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp000066400000000000000000001041471516317240700324150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Adapted from Avogadro 1.x with the following authors' permission: Copyright (C) 2007 by Shahzad Ali Copyright (C) 2007 by Ross Braithwaite Copyright (C) 2007 by James Bunt Copyright (C) 2007,2008 by Marcus D. Hanwell Copyright (C) 2006,2007 by Benoit Jacob This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "bondcentrictool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #ifndef M_PI #define M_PI 3.14159265358979323846 #endif namespace Avogadro::QtPlugins { using Core::Array; using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using QtGui::RWMolecule; using Rendering::ArcSector; using Rendering::ArcStrip; using Rendering::GeometryNode; using Rendering::Quad; using Rendering::QuadOutline; namespace { const std::string degreeString("°"); /// @todo Add wide character support to text renderer. const std::string angstromString("Å"); // Lookup for coloring bond angles: const Vector3ub& getColor(size_t i) { static std::vector colors; if (colors.empty()) { colors.emplace_back(255, 64, 32); colors.emplace_back(64, 255, 32); colors.emplace_back(32, 64, 255); colors.emplace_back(255, 255, 32); colors.emplace_back(255, 32, 255); colors.emplace_back(32, 255, 255); colors.emplace_back(255, 128, 0); colors.emplace_back(128, 255, 0); colors.emplace_back(0, 255, 128); colors.emplace_back(0, 128, 255); colors.emplace_back(255, 0, 128); colors.emplace_back(128, 0, 255); } return colors[i % colors.size()]; } // Returns unsigned, smallest angle between v1 and v2 inline float vectorAngleDegrees(const Vector3f& v1, const Vector3f& v2) { const float crossProductNorm(v1.cross(v2).norm()); const float dotProduct(v1.dot(v2)); return std::atan2(crossProductNorm, dotProduct) * RAD_TO_DEG_F; } // Returns signed, smallest angle between v1 and v2. Sign is determined from a // right hand rule around axis. inline float vectorAngleDegrees(const Vector3f& v1, const Vector3f& v2, const Vector3f& axis) { const Vector3f crossProduct(v1.cross(v2)); const float crossProductNorm(crossProduct.norm()); const float dotProduct(v1.dot(v2)); const float signDet(crossProduct.dot(axis)); const float angle(std::atan2(crossProductNorm, dotProduct) * RAD_TO_DEG_F); return signDet > 0.f ? angle : -angle; } } // namespace BondCentricTool::BondCentricTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_moveState(IgnoreMove), m_planeSnapIncr(10.f), m_snapPlaneToBonds(true) { QString shortcut = tr("Ctrl+6", "control-key 6"); m_activateAction->setText(tr("Bond-Centric Manipulation")); m_activateAction->setToolTip( tr("Bond Centric Manipulation Tool\t(%1)\n\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length") .arg(shortcut)); setIcon(); } BondCentricTool::~BondCentricTool() {} void BondCentricTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/bondcentric_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/bondcentric_light.svg")); } QWidget* BondCentricTool::toolWidget() const { return nullptr; } void BondCentricTool::setMolecule(QtGui::Molecule* mol) { if (mol && mol->undoMolecule() != m_molecule) { m_molecule = mol->undoMolecule(); reset(); } } void BondCentricTool::setEditMolecule(QtGui::RWMolecule* mol) { if (m_molecule != mol) { m_molecule = mol; reset(); } } void BondCentricTool::setGLWidget(QtOpenGL::GLWidget*) {} void BondCentricTool::setGLRenderer(Rendering::GLRenderer* ren) { m_renderer = ren; } QUndoCommand* BondCentricTool::mousePressEvent(QMouseEvent* e) { // Don't start a new operation if we're already working: if (m_moveState != IgnoreMove) return nullptr; Rendering::Identifier ident = m_renderer->hit(e->pos().x(), e->pos().y()); // If no hits, return. Also ensure that the hit molecule is the one we expect. if (!ident.isValid() || ident.molecule != &m_molecule->molecule()) return nullptr; // If the hit is a left click on a bond, make it the selected bond and map // mouse movements to the bond plane rotation. if (ident.type == Rendering::BondType && e->button() == Qt::LeftButton) return initRotatePlane(e, ident); // Return if selectedBond is not valid or the hit is not on a bond: if (!m_selectedBond.isValid() || ident.type != Rendering::AtomType) return nullptr; // Test if the atom is in the selected bond, or one bond removed. RWAtom clickedAtom = m_molecule->atom(ident.index); RWBond selectedBond = m_selectedBond.bond(); bool atomIsInBond = bondContainsAtom(selectedBond, clickedAtom); bool atomIsNearBond = false; RWAtom anchorAtom; if (!atomIsInBond) { Array bonds = m_molecule->bonds(clickedAtom); for (auto& bond : bonds) { RWAtom atom = bond.getOtherAtom(clickedAtom); if (bondContainsAtom(selectedBond, atom)) { anchorAtom = atom; atomIsNearBond = true; break; } } } if (!atomIsInBond && !atomIsNearBond) return nullptr; if (m_molecule) { m_molecule->setInteractive(true); } // If the hit is a left click on an atom in the selected bond, prepare to // rotate the clicked bond around the other atom in the bond. if (atomIsInBond && e->button() == Qt::LeftButton) return initRotateBondedAtom(e, clickedAtom); // If the hit is a right click on an atom in the selected bond, prepare to // change the bond length. if (atomIsInBond && e->button() == Qt::RightButton) return initAdjustBondLength(e, clickedAtom); // Is the hit a left click on an atom bonded to an atom in selectedBond? if (atomIsNearBond && (e->button() == Qt::LeftButton || e->button() == Qt::RightButton)) { return initRotateNeighborAtom(e, clickedAtom, anchorAtom); } return nullptr; } QUndoCommand* BondCentricTool::mouseDoubleClickEvent(QMouseEvent* e) { if (m_selectedBond.isValid() && e->button() == Qt::LeftButton) { reset(); emit drawablesChanged(); } return nullptr; } QUndoCommand* BondCentricTool::mouseMoveEvent(QMouseEvent* e) { if (m_moveState == IgnoreMove) return nullptr; QUndoCommand* result = nullptr; switch (m_moveState) { case RotatePlane: result = rotatePlane(e); break; case RotateBondedAtom: result = rotateBondedAtom(e); break; case AdjustBondLength: result = adjustBondLength(e); break; case RotateNeighborAtom: result = rotateNeighborAtom(e); break; default: break; } return result; } QUndoCommand* BondCentricTool::mouseReleaseEvent(QMouseEvent*) { if (m_moveState != IgnoreMove) { reset(KeepBond); emit drawablesChanged(); if (m_molecule) { m_molecule->setInteractive(false); // allow an undo now } } return nullptr; } void BondCentricTool::draw(Rendering::GroupNode& node) { RWBond selectedBond = m_selectedBond.bond(); if (!selectedBond.isValid()) return; auto* geo = new GeometryNode; node.addChild(geo); switch (m_moveState) { default: case IgnoreMove: case RotatePlane: drawBondQuad(*geo, selectedBond); drawAtomBondAngles(*geo, selectedBond.atom1(), selectedBond); drawAtomBondAngles(*geo, selectedBond.atom2(), selectedBond); break; case RotateBondedAtom: { drawBondQuad(*geo, selectedBond); RWAtom otherAtom = selectedBond.getOtherAtom(m_clickedAtom.atom()); if (otherAtom.isValid()) { drawAtomBondAngles(*geo, otherAtom, selectedBond); } break; } case AdjustBondLength: drawBondQuad(*geo, selectedBond); drawBondLengthLabel(*geo, selectedBond); break; case RotateNeighborAtom: { RWAtom clickedAtom = m_clickedAtom.atom(); RWAtom anchorAtom = m_anchorAtom.atom(); RWBond otherBond = m_molecule->bond(clickedAtom, anchorAtom); if (otherBond.isValid()) drawBondAngle(*geo, selectedBond, otherBond); break; } } } void BondCentricTool::reset(BondCentricTool::ResetBondBehavior bond) { if (bond == ResetBond) m_selectedBond.reset(); m_clickedAtom.reset(); m_anchorAtom.reset(); m_moveState = IgnoreMove; m_clickedPoint = QPoint(); } void BondCentricTool::initializeBondVectors() { RWBond bond = m_selectedBond.bond(); if (bond.isValid()) { m_bondVector = (bond.atom2().position3d().cast() - bond.atom1().position3d().cast()) .normalized(); m_planeNormalMouse = m_bondVector.unitOrthogonal(); } } void BondCentricTool::updateBondVector() { RWBond bond = m_selectedBond.bond(); if (bond.isValid()) { m_bondVector = (bond.atom2().position3d().cast() - bond.atom1().position3d().cast()) .normalized(); } } QUndoCommand* BondCentricTool::initRotatePlane( QMouseEvent* e, const Rendering::Identifier& ident) { RWBond selectedBond = m_molecule->bond(ident.index); // Get unique id: Index bondUniqueId = m_molecule->bondUniqueId(selectedBond); if (bondUniqueId == MaxIndex) return nullptr; // Something went horribly wrong. // Reset the bond vector/plane normal if the bond changed if (bondUniqueId != m_selectedBond.uniqueIdentifier()) { m_selectedBond = QtGui::RWMolecule::PersistentBondType(m_molecule, bondUniqueId); initializeBondVectors(); } updatePlaneSnapAngles(); updateSnappedPlaneNormal(); if (!m_selectedBond.isValid()) return nullptr; e->accept(); m_moveState = RotatePlane; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::initRotateBondedAtom( QMouseEvent* e, const QtGui::RWAtom& clickedAtom) { m_clickedAtom = RWMolecule::PersistentAtomType(clickedAtom); if (!m_clickedAtom.isValid()) return nullptr; e->accept(); m_moveState = RotateBondedAtom; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); resetFragment(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::initAdjustBondLength( QMouseEvent* e, const QtGui::RWAtom& clickedAtom) { m_clickedAtom = RWMolecule::PersistentAtomType(clickedAtom); if (!m_clickedAtom.isValid()) return nullptr; e->accept(); m_moveState = AdjustBondLength; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); resetFragment(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::initRotateNeighborAtom( QMouseEvent* e, const QtGui::RWAtom& clickedAtom, const QtGui::RWAtom& anchorAtom) { m_clickedAtom = RWMolecule::PersistentAtomType(clickedAtom); m_anchorAtom = RWMolecule::PersistentAtomType(anchorAtom); if (!m_clickedAtom.isValid() || !m_anchorAtom.isValid()) return nullptr; e->accept(); m_moveState = RotateNeighborAtom; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); resetFragment(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::rotatePlane(QMouseEvent* e) { // The bond should be valid. const RWBond selectedBond = m_selectedBond.bond(); if (!selectedBond.isValid()) return nullptr; const QPoint deltaDrag = e->pos() - m_lastDragPoint; const Rendering::Camera& camera(m_renderer->camera()); // Atomic position in world coordinates const Vector3 beginPos(selectedBond.atom1().position3d()); const Vector3 endPos(selectedBond.atom2().position3d()); // Various quantities in window coordinates. const Vector3f beginWin(camera.project(beginPos.cast())); const Vector3f endWin(camera.project(endPos.cast())); Vector3f bondVecWin(endWin - beginWin); bondVecWin.z() = 0.f; // Points into the viewing volume from camera: const Vector3f zAxisWin(0.f, 0.f, 1.f); // In plane of screen, orthogonal to bond: const Vector3f orthoWin(zAxisWin.cross(bondVecWin).normalized()); const Vector3f dragWin(static_cast(deltaDrag.x()), static_cast(deltaDrag.y()), 0.f); // Compute the rotation. Not quite sure what's going on here, this is just // ported from Avogadro 1. It doesn't seem right that rotation would be in // degrees (it's the result of a dot product) and I think the fact that the // DEG_TO_RAD conversion results in a useful angle is just a happy // coincidence. But it works quite well. const float rotation = dragWin.dot(orthoWin) / orthoWin.norm(); const Eigen::AngleAxisf rotator(rotation * DEG_TO_RAD_F, m_bondVector); // Rotate m_planeNormalMouse = rotator * m_planeNormalMouse; updateSnappedPlaneNormal(); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } QUndoCommand* BondCentricTool::rotateBondedAtom(QMouseEvent* e) { // Ensure that the mouse has moved a reasonable amount: if ((m_lastDragPoint - e->pos()).manhattanLength() < 2) return nullptr; RWBond bond = m_selectedBond.bond(); RWAtom clickedAtom = m_clickedAtom.atom(); RWAtom centerAtom = bond.getOtherAtom(clickedAtom); // Sanity check: if (!bond.isValid() || !clickedAtom.isValid() || !centerAtom.isValid()) return nullptr; // Compute the transformation: // - Rotation axis is m_planeNormal // - Rotation angle is: // - magnitude is angle between initial click and current pos around // center atom (performed in 2D). // - sign is based on whether m_planeNormal is pointing into/out of the // screen. const Rendering::Camera& camera(m_renderer->camera()); // Get the window coordinates of the relevant points const Vector3f centerPos(centerAtom.position3d().cast()); const Vector3f centerWin(camera.project(centerPos)); const Vector2f centerWin2(centerWin.head<2>()); const Vector2f lastDragWin( static_cast(m_lastDragPoint.x()), static_cast(camera.height() - m_lastDragPoint.y())); const Vector2f dragWin(static_cast(e->pos().x()), static_cast(camera.height() - e->pos().y())); // Compute the angle between last drag and current drag positions const Vector2f lastDragWinVec((lastDragWin - centerWin2).normalized()); const Vector2f dragWinVec((dragWin - centerWin2).normalized()); const float crossProductNorm(lastDragWinVec.x() * dragWinVec.y() - lastDragWinVec.y() * dragWinVec.x()); const float dotProduct(lastDragWinVec.dot(dragWinVec)); const float angle(std::atan2(crossProductNorm, dotProduct)); // Figure out if the sign needs to be reversed: const Vector3f centerPlusNormal(centerPos + m_planeNormal); const Vector3f centerPlusNormalWin(camera.project(centerPlusNormal)); bool reverseSign = (centerPlusNormalWin.z() - centerWin.z()) >= 0; // Build transform m_transform.setIdentity(); m_transform.translate(centerPos); m_transform.rotate( Eigen::AngleAxisf(reverseSign ? -angle : angle, m_planeNormal)); m_transform.translate(-centerPos); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(bond, clickedAtom); // Perform transformation transformFragment(); updateBondVector(); m_molecule->emitChanged(Molecule::Modified | Molecule::Atoms); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } QUndoCommand* BondCentricTool::adjustBondLength(QMouseEvent* e) { // Ensure that the mouse has moved a reasonable amount: if ((m_lastDragPoint - e->pos()).manhattanLength() < 2) return nullptr; RWBond selectedBond = m_selectedBond.bond(); RWAtom clickedAtom = m_clickedAtom.atom(); // Sanity check: if (!selectedBond.isValid() || !clickedAtom.isValid()) return nullptr; const Rendering::Camera& camera(m_renderer->camera()); RWAtom otherAtom = selectedBond.getOtherAtom(clickedAtom); const Vector2f curPosWin(static_cast(e->pos().x()), static_cast(e->pos().y())); const Vector2f lastPosWin(static_cast(m_lastDragPoint.x()), static_cast(m_lastDragPoint.y())); const Vector3f bond(clickedAtom.position3d().cast() - otherAtom.position3d().cast()); const Vector3f mouse(camera.unProject(curPosWin) - camera.unProject(lastPosWin)); const Vector3f displacement((mouse.dot(bond) / bond.squaredNorm()) * bond); // Build transform m_transform.setIdentity(); m_transform.translate(displacement); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(selectedBond, clickedAtom); // Perform transformation transformFragment(); m_molecule->emitChanged(QtGui::Molecule::Modified | QtGui::Molecule::Atoms); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } QUndoCommand* BondCentricTool::rotateNeighborAtom(QMouseEvent* e) { // Ensure that the mouse has moved a reasonable amount: if ((m_lastDragPoint - e->pos()).manhattanLength() < 2) return nullptr; RWBond selectedBond = m_selectedBond.bond(); // Atom that was clicked RWAtom clickedAtom = m_clickedAtom.atom(); // Atom in selected bond also attached to clickedAtom RWAtom anchorAtom = m_anchorAtom.atom(); // The "other" atom in selected bond RWAtom otherAtom = selectedBond.getOtherAtom(anchorAtom); // Sanity check: if (!selectedBond.isValid() || !anchorAtom.isValid() || !otherAtom.isValid() || !clickedAtom.isValid()) { return nullptr; } const Rendering::Camera& camera(m_renderer->camera()); // Compute the angle between last drag and current drag positions const Vector3f center(anchorAtom.position3d().cast()); const Vector3f centerProj(camera.project(center)); const Vector2f centerWin(centerProj.head<2>()); const Vector2f curWin(static_cast(e->pos().x()), static_cast(camera.height() - e->pos().y())); const Vector2f lastWin( static_cast(m_lastDragPoint.x()), static_cast(camera.height() - m_lastDragPoint.y())); const Vector2f curVecWin((curWin - centerWin).normalized()); const Vector2f lastVecWin((lastWin - centerWin).normalized()); const float crossProductNorm(lastVecWin.x() * curVecWin.y() - lastVecWin.y() * curVecWin.x()); const float dotProduct(lastVecWin.dot(curVecWin)); const float angle(std::atan2(crossProductNorm, dotProduct)); // Figure out if the sign needs to be reversed: const Vector3f other(otherAtom.position3d().cast()); const Vector3f otherProj(camera.project(other)); const bool reverseSign = otherProj.z() <= centerProj.z(); // Axis of rotation const Vector3f axis((center - other).normalized()); // Build transform m_transform.setIdentity(); m_transform.translate(center); m_transform.rotate(Eigen::AngleAxisf(reverseSign ? -angle : angle, axis)); m_transform.translate(-center); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(selectedBond, anchorAtom); // Perform transformation transformFragment(); updateBondVector(); m_molecule->emitChanged(QtGui::Molecule::Modified | QtGui::Molecule::Atoms); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } void BondCentricTool::drawBondQuad(Rendering::GeometryNode& node, const RWBond& bond) const { const Vector3f atom1Pos(bond.atom1().position3d().cast()); const Vector3f atom2Pos(bond.atom2().position3d().cast()); Vector3f offset(m_bondVector.cross(m_planeNormal)); const Vector3f v1(atom1Pos + offset); const Vector3f v2(atom2Pos + offset); const Vector3f v3(atom1Pos - offset); const Vector3f v4(atom2Pos - offset); Quad* quad = new Quad; node.addDrawable(quad); quad->setColor(Vector3ub(63, 127, 255)); quad->setOpacity(127); quad->setRenderPass(Rendering::TranslucentPass); quad->setQuad(v1, v2, v3, v4); auto* quadOutline = new QuadOutline; node.addDrawable(quadOutline); quadOutline->setColor(Vector3ub(63, 127, 255)); quadOutline->setRenderPass(Rendering::OpaquePass); quadOutline->setQuad(v1, v2, v3, v4, 1.f); // If the plane is rotating, show a hint for the unsnapped plane. if (m_moveState == RotatePlane) { Vector3f moffset(m_bondVector.cross(m_planeNormalMouse)); const Vector3f mv1(atom1Pos + moffset); const Vector3f mv2(atom2Pos + moffset); const Vector3f mv3(atom1Pos - moffset); const Vector3f mv4(atom2Pos - moffset); auto* mouseQuadOutline = new QuadOutline; node.addDrawable(mouseQuadOutline); mouseQuadOutline->setColor(Vector3ub(255, 255, 255)); mouseQuadOutline->setOpacity(127); mouseQuadOutline->setRenderPass(Rendering::TranslucentPass); mouseQuadOutline->setQuad(mv1, mv2, mv3, mv4, 1.f); } } void BondCentricTool::drawBondAngle(Rendering::GeometryNode& node, const QtGui::RWBond& selectedBond, const QtGui::RWBond& movingBond) const { // Draw the selected bond quad as usual drawBondQuad(node, selectedBond); // Determine the atom shared between the bonds (atom1). RWAtom atom1; RWAtom atom2; if (selectedBond.atom1() == movingBond.atom1() || selectedBond.atom2() == movingBond.atom1()) { atom1 = movingBond.atom1(); atom2 = movingBond.atom2(); } else if (selectedBond.atom1() == movingBond.atom2() || selectedBond.atom2() == movingBond.atom2()) { atom1 = movingBond.atom2(); atom2 = movingBond.atom1(); } if (!atom1.isValid()) return; // Add another quad in the plane normal to // m_bondVector.cross(movingBondVector) const Vector3f a1(atom1.position3d().cast()); const Vector3f a2(atom2.position3d().cast()); const Vector3f movingBondVector(a2 - a1); const Vector3f movingBondUnitVector(movingBondVector.normalized()); // calculate a vector in the plane spanned by movingBondVector and // m_bondVector that is orthogonal to m_bondVector, then project // movingBondVector onto it. This is used to calculate the 'new' a2. const Vector3f movingBondNormal(m_bondVector.cross(movingBondUnitVector)); const Vector3f newA2Direction(movingBondNormal.cross(m_bondVector)); const Vector3f movingBondVectorProj(movingBondVector.dot(newA2Direction) * newA2Direction); const Vector3f newA2(a1 + movingBondVectorProj); const Vector3f& movingBondOffset(m_bondVector); const Vector3f v1(a1 + movingBondOffset); const Vector3f v2(newA2 + movingBondOffset); const Vector3f v3(a1 - movingBondOffset); const Vector3f v4(newA2 - movingBondOffset); Quad* quad = new Quad; node.addDrawable(quad); quad->setColor(Vector3ub(63, 127, 255)); quad->setOpacity(127); quad->setRenderPass(Rendering::TranslucentPass); quad->setQuad(v1, v2, v3, v4); auto* quadOutline = new QuadOutline; node.addDrawable(quadOutline); quadOutline->setColor(Vector3ub(63, 127, 255)); quadOutline->setRenderPass(Rendering::OpaquePass); quadOutline->setQuad(v1, v2, v3, v4, 1.f); // Add an arc and label to show a bit more info: const Vector3f selectedBondOffset(m_planeNormal.cross(m_bondVector)); const float radius(movingBondVector.norm() * 0.75f); Vector3f startEdge(newA2Direction * radius); Vector3f normal(m_bondVector); float angle = vectorAngleDegrees(startEdge, selectedBondOffset, normal); float displayAngle = std::fabs(angle); auto* sect = new ArcSector; node.addDrawable(sect); sect->setColor(Vector3ub(255, 127, 63)); sect->setOpacity(127); sect->setRenderPass(Rendering::TranslucentPass); sect->setArcSector(a1, startEdge, normal, angle, 5.f); auto* arc = new ArcStrip; node.addDrawable(arc); arc->setColor(Vector3ub(255, 127, 63)); arc->setRenderPass(Rendering::OpaquePass); arc->setArc(a1, startEdge, normal, angle, 5.f, 1.f); const Vector3f& textPos(a1); auto* label = new Rendering::TextLabel3D; label->setText(QString("%L1°").arg(displayAngle, 5, 'f', 1).toStdString()); label->setRenderPass(Rendering::Overlay3DPass); label->setAnchor(textPos); node.addDrawable(label); Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(255, 200, 64); label->setTextProperties(tprop); } void BondCentricTool::drawBondLengthLabel(Rendering::GeometryNode& node, const QtGui::RWBond& bond) { const Vector3f startPos(bond.atom1().position3d().cast()); const Vector3f endPos(bond.atom2().position3d().cast()); const Vector3f bondCenter((startPos + endPos) * 0.5f); const Vector3f bondVector(endPos - startPos); auto* label = new Rendering::TextLabel3D; label->setText( QString("%L1 Å").arg(bondVector.norm(), 4, 'f', 2).toStdString()); label->setRenderPass(Rendering::Overlay3DPass); label->setAnchor(bondCenter); node.addDrawable(label); Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(255, 200, 64); label->setTextProperties(tprop); } void BondCentricTool::drawAtomBondAngles(Rendering::GeometryNode& node, const RWAtom& atom, const RWBond& anchorBond) { const Array bonds = m_molecule->bonds(atom); auto bondIter(bonds.begin()); auto bondEnd(bonds.end()); size_t count = 0; while (bondIter != bondEnd) { if (*bondIter != anchorBond) drawAtomBondAngle(node, atom, anchorBond, *bondIter, getColor(count++)); ++bondIter; } } void BondCentricTool::drawAtomBondAngle(Rendering::GeometryNode& node, const QtGui::RWAtom& atom, const QtGui::RWBond& anchorBond, const QtGui::RWBond& otherBond, const Vector3ub& color) { const RWAtom otherAtom = otherBond.getOtherAtom(atom); const RWAtom otherAnchorAtom = anchorBond.getOtherAtom(atom); const Vector3f atomPos(atom.position3d().cast()); const Vector3f otherAtomPos(otherAtom.position3d().cast()); const Vector3f otherAnchorAtomPos(otherAnchorAtom.position3d().cast()); const Vector3f otherVector(otherAtomPos - atomPos); const Vector3f anchorVector(otherAnchorAtomPos - atomPos); const Vector3f anchorUnitVector(anchorVector.normalized()); const float radius(otherVector.norm() * 0.75f); const Vector3f& origin(atomPos); const Vector3f start(anchorUnitVector * radius); const Vector3f axis(anchorVector.cross(otherVector).normalized()); const float angle = vectorAngleDegrees(otherVector, anchorVector); const Vector3f& labelPos(otherAtomPos); auto* sect = new ArcSector; node.addDrawable(sect); sect->setColor(color); sect->setOpacity(127); sect->setRenderPass(Rendering::TranslucentPass); sect->setArcSector(origin, start, axis, angle, 5.f); auto* arc = new ArcStrip; node.addDrawable(arc); arc->setColor(color); arc->setRenderPass(Rendering::OpaquePass); arc->setArc(origin, start, axis, angle, 5.f, 1.f); auto* label = new Rendering::TextLabel3D; label->setText(QString("%L1°").arg(angle, 6, 'f', 1).toStdString()); label->setRenderPass(Rendering::Overlay3DPass); label->setAnchor(labelPos); node.addDrawable(label); Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(color); label->setTextProperties(tprop); } inline bool BondCentricTool::bondContainsAtom(const QtGui::RWBond& bond, const QtGui::RWAtom& atom) const { return atom == bond.atom1() || atom == bond.atom2(); } inline void BondCentricTool::transformFragment() const { // Convert the internal float matrix to use the same precision as the atomic // coordinates. Eigen::Transform transform(m_transform.cast()); for (int it : m_fragment) { RWAtom atom = m_molecule->atomByUniqueId(it); if (atom.isValid()) { Vector3 pos = atom.position3d(); pos = transform * pos; atom.setPosition3d(pos); } } } void BondCentricTool::updatePlaneSnapAngles() { m_planeSnapRef = m_bondVector.unitOrthogonal(); m_planeSnapAngles.clear(); // Add bond angles if requested: RWBond selectedBond = m_selectedBond.bond(); if (m_snapPlaneToBonds && selectedBond.isValid()) { const RWAtom atom1 = selectedBond.atom1(); const RWAtom atom2 = selectedBond.atom2(); for (int i = 0; i < 2; ++i) { const RWAtom& atom = i == 0 ? atom1 : atom2; const Vector3f atomPos(atom.position3d().cast()); const Array bonds = m_molecule->bonds(atom); for (auto bond : bonds) { if (bond != selectedBond) { const RWAtom otherAtom(bond.getOtherAtom(atom)); const Vector3f otherAtomPos(otherAtom.position3d().cast()); const Vector3f otherBondVector(otherAtomPos - atomPos); // Project otherBondVector into the plane normal to m_bondVector // (e.g. the rejection of otherBondVector onto m_bondVector) const Vector3f rej( otherBondVector - (otherBondVector.dot(m_bondVector) * m_bondVector)); float angle(vectorAngleDegrees(m_planeSnapRef, rej, m_bondVector)); m_planeSnapAngles.insert(angle); angle += 180.f; if (angle > 180.f) angle -= 360.f; m_planeSnapAngles.insert(angle); } } } } // Add default increments only if they are more than 5 degrees away // from a bond angle. const float minDist(5.f); for (float angle = -180.f; angle < 180.f; angle += m_planeSnapIncr) { auto upper(m_planeSnapAngles.lower_bound(angle)); if (upper != m_planeSnapAngles.end()) { if (*upper - minDist < angle) continue; if (upper != m_planeSnapAngles.begin()) { auto lower(upper); std::advance(lower, -1); if (*lower + minDist > angle) continue; } m_planeSnapAngles.insert(angle); } } } // There may be some weirdness around +/-180 since we don't check for // wrapping, but it should be fine for this use case. void BondCentricTool::updateSnappedPlaneNormal() { const Vector3f mousePlaneVector(m_planeNormalMouse.cross(m_bondVector)); const float angle( vectorAngleDegrees(m_planeSnapRef, mousePlaneVector, m_bondVector)); float snappedAngle(angle); auto upper(m_planeSnapAngles.lower_bound(angle)); if (upper != m_planeSnapAngles.end()) { if (upper != m_planeSnapAngles.begin()) { auto lower(upper); std::advance(lower, -1); float upperDist = std::fabs(angle - *upper); float lowerDist = std::fabs(angle - *lower); snappedAngle = upperDist < lowerDist ? *upper : *lower; } else { snappedAngle = *upper; } } if (angle == snappedAngle) { // If the angle didn't change, keep on keepin' on: m_planeNormal = m_planeNormalMouse; } else { // Otherwise, update the vector. const Vector3f planeVector = Eigen::AngleAxisf(snappedAngle * DEG_TO_RAD_F, m_bondVector) * m_planeSnapRef; m_planeNormal = planeVector.cross(m_bondVector); } } inline bool BondCentricTool::fragmentHasAtom(int uid) const { return std::find(m_fragment.begin(), m_fragment.end(), uid) != m_fragment.end(); } void BondCentricTool::buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom) { m_fragment.clear(); if (!buildFragmentRecurse(bond, startAtom, startAtom)) { // If this returns false, then a cycle has been found. Only move startAtom // in this case. m_fragment.clear(); } m_fragment.push_back(m_molecule->atomUniqueId(startAtom)); } bool BondCentricTool::buildFragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom) { // does our cycle include both bonded atoms? const RWAtom bondedAtom(bond.getOtherAtom(startAtom)); Array bonds = m_molecule->bonds(currentAtom); for (auto& it : bonds) { if (it != bond) { // Skip the current bond const RWAtom nextAtom = it.getOtherAtom(currentAtom); if (nextAtom != startAtom && nextAtom != bondedAtom) { // Skip atoms that have already been added. This prevents infinite // recursion on cycles in the fragments int uid = m_molecule->atomUniqueId(nextAtom); if (!fragmentHasAtom(uid)) { m_fragment.push_back(uid); if (!buildFragmentRecurse(it, startAtom, nextAtom)) return false; } } else if (nextAtom == bondedAtom) { // If we've found the bonded atom, the bond is in a cycle return false; } } // *it != bond } // foreach bond return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/bondcentrictool.h000066400000000000000000000141601516317240700320550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_BONDCENTRICTOOL_H #define AVOGADRO_QTPLUGINS_BONDCENTRICTOOL_H #include #include #include #include #include #include #include #include #include namespace Avogadro { namespace Rendering { class GeometryNode; } namespace QtPlugins { /** * @brief BondCentricTool manipulates molecular geometry by adjusting bond * angles/lengths. * * @note This class is adapted from the class of the same name in Avogadro 1.x, * written by Shahzad Ali, Ross Braithwaite, James Bunt, Marcus D. Hanwell, and * Benoit Jacob. */ class BondCentricTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit BondCentricTool(QObject* parent_ = nullptr); ~BondCentricTool() override; QString name() const override; QString description() const override; unsigned char priority() const override { return 40; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule*) override; void setEditMolecule(QtGui::RWMolecule*) override; void setGLWidget(QtOpenGL::GLWidget* widget) override; void setGLRenderer(Rendering::GLRenderer* ren) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; void draw(Rendering::GroupNode& node) override; private: enum MoveState { IgnoreMove = 0, RotatePlane, RotateBondedAtom, AdjustBondLength, RotateNeighborAtom }; enum ResetBondBehavior { KeepBond = 0, ResetBond }; void reset(ResetBondBehavior bond = ResetBond); void initializeBondVectors(); void updateBondVector(); // Mouse press event handlers: QUndoCommand* initRotatePlane(QMouseEvent* e, const Rendering::Identifier& ident); QUndoCommand* initRotateBondedAtom(QMouseEvent* e, const QtGui::RWAtom& clickedAtom); QUndoCommand* initAdjustBondLength(QMouseEvent* e, const QtGui::RWAtom& clickedAtom); QUndoCommand* initRotateNeighborAtom(QMouseEvent* e, const QtGui::RWAtom& clickedAtom, const QtGui::RWAtom& anchorAtom); // Mouse move event handlers: QUndoCommand* rotatePlane(QMouseEvent* e); QUndoCommand* rotateBondedAtom(QMouseEvent* e); QUndoCommand* adjustBondLength(QMouseEvent* e); QUndoCommand* rotateNeighborAtom(QMouseEvent* e); // Drawing helpers: void drawBondQuad(Rendering::GeometryNode& node, const QtGui::RWBond& bond) const; void drawBondAngle(Rendering::GeometryNode& node, const QtGui::RWBond& selectedBond, const QtGui::RWBond& movingBond) const; void drawBondLengthLabel(Rendering::GeometryNode& node, const QtGui::RWBond& bond); void drawAtomBondAngles(Rendering::GeometryNode& node, const QtGui::RWAtom& atom, const QtGui::RWBond& anchorBond); void drawAtomBondAngle(Rendering::GeometryNode& node, const QtGui::RWAtom& atom, const QtGui::RWBond& anchorBond, const QtGui::RWBond& otherBond, const Vector3ub& color); // Bond utilities bool bondContainsAtom(const QtGui::RWBond& bond, const QtGui::RWAtom& atom) const; // The 'fragment' is the SkeletonTree of the 1.x implementation. It is a list // of atoms created by buildFragment(bond, startAtom), which walks the bonds // connected to startAtom (not including the passed-in bond), adding each // atom it encounters to the list, and then walking that atom's bonds. If a // cycle is detected, only startAtom is added to m_fragment. void resetFragment() { m_fragment.clear(); } bool fragmentHasAtom(int uid) const; void buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom); bool buildFragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom); // Use transformFragment to transform the position of each atom in the // fragment by m_transform. void transformFragment() const; QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; MoveState m_moveState; QPoint m_clickedPoint; QPoint m_lastDragPoint; Vector3f m_bondVector; Vector3f m_planeNormalMouse; Vector3f m_planeNormal; // unique ids of atoms that will need to be moved: std::vector m_fragment; Eigen::Affine3f m_transform; // Snap angles for RotatePlane. Angles are relative to m_planeSnapRef and // follow a right-hand rule around m_bondVector. Range is [-180, 180). std::set m_planeSnapAngles; float m_planeSnapIncr; Vector3f m_planeSnapRef; bool m_snapPlaneToBonds; void updatePlaneSnapAngles(); void updateSnappedPlaneNormal(); QtGui::RWMolecule::PersistentBondType m_selectedBond; QtGui::RWMolecule::PersistentAtomType m_anchorAtom; QtGui::RWMolecule::PersistentAtomType m_clickedAtom; }; inline QString BondCentricTool::name() const { return tr("Bond centric manipulation tool."); } inline QString BondCentricTool::description() const { return tr("Tool used to edit molecular geometry by changing bond lengths and " "angles."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_BONDCENTRICTOOL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bondcentrictool/bondcentrictool.qrc000066400000000000000000000002231516317240700324060ustar00rootroot00000000000000 bondcentric_light.svg bondcentric_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bonding/000077500000000000000000000000001516317240700247425ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bonding/CMakeLists.txt000066400000000000000000000002071516317240700275010ustar00rootroot00000000000000avogadro_plugin(Bonding "Perform bonding operations." ExtensionPlugin bonding.h Bonding "bonding.cpp" "bondingdialog.ui" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bonding/bonding.cpp000066400000000000000000000160271516317240700270740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "bonding.h" #include #include #include #include #include #include #include "ui_bondingdialog.h" namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; using NeighborListType = Avogadro::Core::Array; Bonding::Bonding(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(tr("Bond Atoms"), this)), m_orderAction(new QAction(tr("Perceive Bond Orders"), this)), m_clearAction(new QAction(tr("Remove Bonds"), this)), m_configAction(new QAction(tr("Configure Bonding…"), this)), m_createBondsAction(new QAction(tr("Bond Selected Atoms"), this)), m_dialog(nullptr), m_ui(nullptr) { QSettings settings; m_tolerance = settings.value("bonding/tolerance", 0.45).toDouble(); m_minDistance = settings.value("bonding/minDistance", 0.32).toDouble(); m_action->setShortcut(QKeySequence("Ctrl+B")); m_action->setProperty("menu priority", 750); m_createBondsAction->setProperty("menu priority", 740); m_orderAction->setProperty("menu priority", 735); m_clearAction->setShortcut(QKeySequence("Ctrl+Shift+B")); m_clearAction->setProperty("menu priority", 720); connect(m_action, SIGNAL(triggered()), SLOT(bond())); connect(m_createBondsAction, SIGNAL(triggered()), SLOT(createBond())); connect(m_orderAction, SIGNAL(triggered()), SLOT(bondOrders())); connect(m_clearAction, SIGNAL(triggered()), SLOT(clearBonds())); connect(m_configAction, SIGNAL(triggered()), SLOT(configure())); } QList Bonding::actions() const { QList result; return result << m_action << m_createBondsAction << m_orderAction << m_clearAction << m_configAction; } QStringList Bonding::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("Bond"); } void Bonding::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Bonding::registerCommands() { emit registerCommand("removeBonds", tr("Remove bonds from all or selected atoms.")); emit registerCommand("createBonds", tr("Create bonds between all or selected atoms.")); emit registerCommand("addBondOrders", tr("Perceive bond orders.")); } bool Bonding::handleCommand(const QString& command, [[maybe_unused]] const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "removeBonds") { clearBonds(); return true; } else if (command == "createBonds") { bond(); return true; } else if (command == "addBondOrders") { bondOrders(); return true; } return false; } void Bonding::configure() { if (!m_ui) { m_dialog = new QDialog(qobject_cast(parent())); m_ui = new Ui::BondingDialog; m_ui->setupUi(m_dialog); m_ui->toleranceSpinBox->setValue(m_tolerance); m_ui->minimumSpinBox->setValue(m_minDistance); connect(m_ui->buttonBox, SIGNAL(accepted()), this, SLOT(setValues())); connect(m_ui->buttonBox, SIGNAL(rejected()), m_dialog, SLOT(close())); } m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } void Bonding::setValues() { if (m_dialog == nullptr || m_ui == nullptr) return; m_dialog->close(); m_tolerance = m_ui->toleranceSpinBox->value(); m_minDistance = m_ui->minimumSpinBox->value(); QSettings settings; settings.setValue("bonding/tolerance", m_tolerance); settings.setValue("bonding/minDistance", m_minDistance); } void Bonding::createBond() { // Create bond between selected atoms no matter the distance if (!m_molecule) return; if (m_molecule->isSelectionEmpty()) return; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; for (Index j = i + 1; j < m_molecule->atomCount(); ++j) { if (!m_molecule->atomSelected(j)) continue; m_molecule->addBond(i, j, 1); } } m_molecule->emitChanged(QtGui::Molecule::Bonds); } void Bonding::bond() { // Yes, this is largely reproduced from Core::Molecule::perceiveBondsSimple // .. but that class doesn't know about selections if (!m_molecule) return; // Check for 3D coordinates, can't do bond perception without this. if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return; // cache atomic radii std::vector radii(m_molecule->atomCount()); for (size_t i = 0; i < radii.size(); i++) { radii[i] = Elements::radiusCovalent(m_molecule->atomicNumbers()[i]); if (radii[i] <= 0.0) radii[i] = 0.0; } bool emptySelection = m_molecule->isSelectionEmpty(); double minSq = m_minDistance * m_minDistance; // Main bond perception loop based on a simple distance metric. for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!emptySelection && !m_molecule->atomSelected(i)) continue; Vector3 ipos = m_molecule->atomPositions3d()[i]; for (Index j = i + 1; j < m_molecule->atomCount(); ++j) { if (!emptySelection && !m_molecule->atomSelected(j)) continue; double cutoff = radii[i] + radii[j] + m_tolerance; Vector3 jpos = m_molecule->atomPositions3d()[j]; Vector3 diff = jpos - ipos; if (std::fabs(diff[0]) > cutoff || std::fabs(diff[1]) > cutoff || std::fabs(diff[2]) > cutoff || (m_molecule->atomicNumbers()[i] == 1 && m_molecule->atomicNumbers()[j] == 1)) { continue; } // check radius and add bond if needed double cutoffSq = cutoff * cutoff; double diffsq = diff.squaredNorm(); if (diffsq < cutoffSq && diffsq > minSq) m_molecule->addBond(m_molecule->atom(i), m_molecule->atom(j), 1); } } m_molecule->emitChanged(QtGui::Molecule::Bonds); } void Bonding::bondOrders() { m_molecule->perceiveBondOrders(); m_molecule->emitChanged(QtGui::Molecule::Bonds); } void Bonding::clearBonds() { // remove any bonds connected to the selected atoms // Array bonds(Index a); if (m_molecule->isSelectionEmpty()) m_molecule->clearBonds(); else { std::vector bondIndices; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; // OK, the atom is selected, get the bonds to delete const NeighborListType bonds = m_molecule->bonds(i); for (auto bond : bonds) { bondIndices.push_back(bond.index()); } } // end looping through atoms // now delete the bonds for (auto it = bondIndices.rbegin(), itEnd = bondIndices.rend(); it != itEnd; ++it) { m_molecule->removeBond(*it); } } // end else(selected atoms) m_molecule->emitChanged(QtGui::Molecule::Bonds); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bonding/bonding.h000066400000000000000000000032741516317240700265410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_BONDING_H #define AVOGADRO_QTPLUGINS_BONDING_H #include #include #include namespace Ui { class BondingDialog; } namespace Avogadro::QtPlugins { /** * @brief The Bonding class performs bonding operations on demand. */ class Bonding : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Bonding(QObject* parent_ = nullptr); ~Bonding() override = default; QString name() const override { return tr("Bonding"); } QString description() const override { return tr("Perform bonding operations."); } QList actions() const override; QStringList menuPath(QAction* action) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void bond(); void createBond(); void bondOrders(); void clearBonds(); void configure(); void setValues(); private: QtGui::Molecule* m_molecule; double m_tolerance; double m_minDistance; QAction* m_action; QAction* m_orderAction; QAction* m_clearAction; QAction* m_configAction; QAction* m_createBondsAction; QDialog* m_dialog; Ui::BondingDialog* m_ui; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_BONDING_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/bonding/bondingdialog.ui000066400000000000000000000041201516317240700300760ustar00rootroot00000000000000 BondingDialog 0 0 305 122 Form Distance Tolerance: Minimum Distance: QDialogButtonBox::Cancel|QDialogButtonBox::Ok Å 3 2.000000000000000 0.050000000000000 0.450000000000000 Å 3 1.000000000000000 0.100000000000000 0.100000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cartoons/000077500000000000000000000000001516317240700251525ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cartoons/CMakeLists.txt000066400000000000000000000002721516317240700277130ustar00rootroot00000000000000avogadro_plugin(Cartoons "Cartoon family rendering scheme" ScenePlugin cartoons.h Cartoons cartoons.cpp "") target_link_libraries(Cartoons LINK_PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cartoons/cartoons.cpp000066400000000000000000000371441516317240700275170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cartoons.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Atom; using Core::AtomicNumber; using Core::Residue; using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::BezierGeometry; using Rendering::BSplineGeometry; using Rendering::Cartoon; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::SphereGeometry; using std::list; using std::map; using std::reference_wrapper; using std::vector; struct LayerCartoon : Core::LayerData { QWidget* widget; bool showBackbone; bool showTrace; bool showTube; bool showRibbon; bool showSimpleCartoon; bool showCartoon; bool showRope; using JumpTable = void (Cartoons::*)(bool); JumpTable jumpTable[7]; std::string serialize() final { return boolToString(showBackbone) + " " + boolToString(showTrace) + " " + boolToString(showTube) + " " + boolToString(showRibbon) + " " + boolToString(showSimpleCartoon) + " " + boolToString(showCartoon) + " " + boolToString(showRope); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; showBackbone = stringToBool(aux); ss >> aux; showTrace = stringToBool(aux); ss >> aux; showTube = stringToBool(aux); ss >> aux; showRibbon = stringToBool(aux); ss >> aux; showSimpleCartoon = stringToBool(aux); ss >> aux; showCartoon = stringToBool(aux); ss >> aux; showRope = stringToBool(aux); } void setupWidget(Cartoons* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; QStringList boxesText; boxesText << QObject::tr("Backbone", "protein rendering style") << QObject::tr("Trace", "protein rendering style") << QObject::tr("Tube", "protein rendering style") << QObject::tr("Ribbon", "protein rendering style") << QObject::tr("Simple Cartoon", "protein rendering style") << QObject::tr("Cartoon", "protein rendering style") << QObject::tr("Rope", "protein rendering style"); vector> boxesBools = { showBackbone, showTrace, showTube, showRibbon, showSimpleCartoon, showCartoon, showRope }; jumpTable[0] = &Cartoons::showBackbone; jumpTable[1] = &Cartoons::showTrace; jumpTable[2] = &Cartoons::showTube; jumpTable[3] = &Cartoons::showRibbon; jumpTable[4] = &Cartoons::showSimpleCartoon; jumpTable[5] = &Cartoons::showCartoon; jumpTable[6] = &Cartoons::showRope; for (int i = 0; i < boxesText.size(); ++i) { auto* check = new QCheckBox(boxesText[i]); check->setChecked(boxesBools[i]); QObject::connect(check, &QCheckBox::clicked, slot, jumpTable[i]); v->addWidget(check); } // make sure there's empty space at the bottom,s otherwise the v->addStretch(1); widget->setLayout(v); } } LayerCartoon() : widget(nullptr) { QSettings settings; showBackbone = settings.value("cartoon/backbone", false).toBool(); showCartoon = settings.value("cartoon/cartoon", true).toBool(); showTrace = settings.value("cartoon/trace", false).toBool(); showTube = settings.value("cartoon/tube", false).toBool(); showRibbon = settings.value("cartoon/ribbon", false).toBool(); showRope = settings.value("cartoon/rope", false).toBool(); showSimpleCartoon = settings.value("cartoon/simplecartoon", false).toBool(); } LayerCartoon(std::string settings) { widget = nullptr; deserialize(settings); } ~LayerCartoon() override { if (widget) widget->deleteLater(); } LayerData* clone() final { return new LayerCartoon(serialize()); } }; struct BackboneResidue { BackboneResidue() = default; BackboneResidue(const Vector3f p, const Vector3ub& c1, const Vector3ub& c2, const size_t& g, size_t id, bool sel, Residue::SecondaryStructure sec) : pos(p), color1(c1), color2(c2), group(g), residueID(id), selected(sel), secondaryStructure(sec) { } Vector3f pos; Vector3ub color1; Vector3ub color2; size_t group; size_t residueID; bool selected; Residue::SecondaryStructure secondaryStructure; }; using AtomsPairList = list; Cartoons::Cartoons(QObject* parent) : ScenePlugin(parent), m_group(nullptr) { m_layerManager = PluginLayerManager(m_name); } void addBackBone(map& result, map& previousCA, const Atom& caAtom, const Vector3ub& color, Index group, Residue::SecondaryStructure sec) { Vector3ub color1; if (result.find(group) == result.end()) { result[group] = AtomsPairList(); color1 = Vector3ub(0, 0, 0); } else { color1 = previousCA[group].color2; } Vector3f ca = caAtom.position3d().cast(); BackboneResidue backBone = BackboneResidue( ca, color1, color, group, caAtom.index(), caAtom.selected(), sec); // the 1º insertion will always be incompleated, so fix it if (result[group].size() == 1) { result[group].front().color1 = color1; } previousCA[group] = backBone; result[group].push_back(backBone); } map Cartoons::getBackboneByResidues( const Molecule& molecule, size_t layer) { const auto& graph = molecule.graph(); map result; map previousAtom; for (const auto& residue : molecule.residues()) { if (!residue.isHeterogen()) { Atom caAtom = residue.atomByName("CA"); Atom oAtom = residue.atomByName("O"); if (caAtom.isValid() && oAtom.isValid() && m_layerManager.atomEnabled(layer, caAtom.index()) && m_layerManager.atomEnabled(layer, oAtom.index())) { // get the group ID and check if it's initialized in the map size_t group = graph.getConnectedID(caAtom.index()); addBackBone(result, previousAtom, caAtom, residue.color(), group, residue.secondaryStructure()); } else { // maybe DNA Atom c3Atom = residue.atomByName("C3'"); Atom o3Atom = residue.atomByName("O3'"); if (c3Atom.isValid() && o3Atom.isValid() && m_layerManager.atomEnabled(layer, c3Atom.index()) && m_layerManager.atomEnabled(layer, o3Atom.index())) { size_t group = graph.getConnectedID(c3Atom.index()); addBackBone(result, previousAtom, c3Atom, residue.color(), group, residue.secondaryStructure()); } } } } return result; } map Cartoons::getBackboneManually( const Molecule& molecule, size_t layer) { // manual filter const auto& graph = molecule.graph(); map result; map previousCA; for (size_t i = 0; i < molecule.atomCount(); ++i) { const auto atom = molecule.atom(i); if (atom.atomicNumber() == AtomicNumber::Carbon && m_layerManager.atomEnabled(layer, atom.index())) { size_t group = graph.getConnectedID(atom.index()); addBackBone(result, previousCA, atom, atom.color(), group, Residue::SecondaryStructure::undefined); } } return result; } void renderBackbone(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = reinterpret_cast(&molecule); spheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::AtomType; geometry->addDrawable(cylinders); Index i = 0; for (auto it = backbone.begin(); it != backbone.end(); ++it) { const auto& bone = *it; auto color1 = bone.color1; auto color2 = bone.color2; if (bone.selected) { color1 += Vector3ub(155, 0, 0); color2 += Vector3ub(155, 0, 0); } const Vector3f& pos = bone.pos; spheres->addSphere(pos, color1, radius, bone.residueID); if (std::next(it) != backbone.end()) { const auto& nextBone = *std::next(it); const Vector3f& pos2 = nextBone.pos; cylinders->addCylinder(pos, pos2, radius, color1, color2, bone.residueID); } ++i; } } void renderRope(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* bezier = new BezierGeometry; bezier->identifier().molecule = &molecule; bezier->identifier().type = Rendering::AtomType; geometry->addDrawable(bezier); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { bezier->addPoint(bone.pos, bone.color1 + color, radius, bone.group, bone.residueID); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void renderTube(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* bezier = new BSplineGeometry; bezier->identifier().molecule = &molecule; bezier->identifier().type = Rendering::AtomType; geometry->addDrawable(bezier); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { bezier->addPoint(bone.pos, bone.color1 + color, radius, bone.group, bone.residueID); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void renderSimpleCartoon(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* cartoon = new Cartoon; cartoon->identifier().molecule = &molecule; cartoon->identifier().type = Rendering::AtomType; geometry->addDrawable(cartoon); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { cartoon->CurveGeometry::addPoint(bone.pos, bone.color1 + color, radius, bone.group, bone.residueID); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void renderCartoon(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* cartoon = new Cartoon(radius * 0.2f, radius * 1.5f); cartoon->identifier().molecule = &molecule; cartoon->identifier().type = Rendering::AtomType; geometry->addDrawable(cartoon); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { cartoon->addPoint(bone.pos, bone.color1 + color, bone.group, bone.residueID, bone.secondaryStructure); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void Cartoons::process(const Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); m_group = &node; for (size_t layer = 0; layer < m_layerManager.layerCount(); ++layer) { auto* interface = m_layerManager.getSetting(layer); if (interface->showBackbone || interface->showTrace || interface->showTube || interface->showRibbon || interface->showSimpleCartoon || interface->showCartoon || interface->showRope) { map backbones; if (molecule.residues().size() > 0) { backbones = getBackboneByResidues(molecule, layer); } if (backbones.size() == 0) { continue; // maybe something in a different layer } size_t i = 0; for (const auto& group : backbones) { const auto& backbone = group.second; if (interface->showBackbone) { renderBackbone(backbone, molecule, node, 0.1f); } if (interface->showTrace) { renderTube(backbone, molecule, node, -0.15f); } if (interface->showTube) { renderTube(backbone, molecule, node, 0.15f); } if (interface->showRibbon) { renderCartoon(backbone, molecule, node, -1.0f * Cartoon::ELIPSE_RATIO); } if (interface->showSimpleCartoon) { renderSimpleCartoon(backbone, molecule, node, 1.0f); } if (interface->showCartoon) { renderCartoon(backbone, molecule, node, 1.0f); } if (interface->showRope) { renderRope(backbone, molecule, node, 1.0f); } ++i; } } } } QWidget* Cartoons::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } void Cartoons::showBackbone(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showBackbone) { interface->showBackbone = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/backbone", show); } void Cartoons::showTrace(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showTrace) { interface->showTrace = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/trace", show); } void Cartoons::showTube(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showTube) { interface->showTube = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/tube", show); } void Cartoons::showRibbon(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showRibbon) { interface->showRibbon = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/ribbon", show); } void Cartoons::showSimpleCartoon(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showSimpleCartoon) { interface->showSimpleCartoon = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/simpleCartoon", show); } void Cartoons::showCartoon(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showCartoon) { interface->showCartoon = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/cartoon", show); } void Cartoons::showRope(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showRope) { interface->showRope = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/rope", show); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cartoons/cartoons.h000066400000000000000000000042021516317240700271510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CARTOONS_H #define AVOGADRO_QTPLUGINS_CARTOONS_H #include #include #include namespace Avogadro::QtPlugins { struct BackboneResidue; using AtomsPairList = std::list; class Cartoons : public QtGui::ScenePlugin { Q_OBJECT public: explicit Cartoons(QObject* parent = nullptr); ~Cartoons() override = default; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Cartoons", "protein ribbon / cartoon rendering"); } QString description() const override { return tr("Display of biomolecule ribbons / cartoons."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::True; } public slots: // straights line between alpha carbons void showBackbone(bool show); // A flat line is displayed along the main backbone trace. void showTrace(bool show); // same as trace but with a circle volume (like a pipeline) void showTube(bool show); // same as trace but a flat plane void showRibbon(bool show); // the classic void showSimpleCartoon(bool show); // the classic + sheets and helix void showCartoon(bool show); // same as tube but instead of creating a b-spline (cuadratic bezier, segments // of 3) we crea a big N-bezier line void showRope(bool show); private: Rendering::GroupNode* m_group; std::string m_name = "Cartoons"; std::map getBackboneByResidues( const QtGui::Molecule& molecule, size_t layer); std::map getBackboneManually( const QtGui::Molecule& molecule, size_t layer); }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_CARTOONS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/centroid/000077500000000000000000000000001516317240700251315ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/centroid/CMakeLists.txt000066400000000000000000000002001516317240700276610ustar00rootroot00000000000000avogadro_plugin(Centroid "Add centroid and center-of-mass." ExtensionPlugin centroid.h Centroid "centroid.cpp" "" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/centroid/centroid.cpp000066400000000000000000000075051516317240700274530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "centroid.h" #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; Centroid::Centroid(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_centroidAction(new QAction(tr("Add Centroid"), this)), m_comAction(new QAction(tr("Add Center of Mass"), this)), m_normalAction( new QAction(tr("Add Perpendicular", "add a point normal to the plane of the molecule"), this)) { m_centroidAction->setProperty("menu priority", 190); m_comAction->setProperty("menu priority", 180); m_normalAction->setProperty("menu priority", 170); connect(m_centroidAction, SIGNAL(triggered()), SLOT(addCentroid())); connect(m_comAction, SIGNAL(triggered()), SLOT(addCenterOfMass())); connect(m_normalAction, SIGNAL(triggered()), SLOT(normal())); } QList Centroid::actions() const { QList result; return result << m_centroidAction << m_comAction << m_normalAction; } QStringList Centroid::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void Centroid::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Centroid::addCentroid() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center(0.0, 0.0, 0.0); Index count = 0; bool hasSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (hasSelection && !m_molecule->atomSelected(i)) continue; // don't count dummy atoms if (m_molecule->atomicNumber(i) == 0) continue; center += m_molecule->atomPosition3d(i); ++count; } center /= count; m_molecule->undoMolecule()->addAtom(0, center); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } void Centroid::addCenterOfMass() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center(0.0, 0.0, 0.0); Real totalMass = 0.0; bool hasSelection = !m_molecule->isSelectionEmpty(); // we have to first find the centroid for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (hasSelection && !m_molecule->atomSelected(i)) continue; // skip it if it's a dummy atom if (m_molecule->atomicNumber(i) == 0) continue; Real mass = Elements::mass(m_molecule->atomicNumber(i)); if (m_molecule->isotope(i) > 0) mass = Elements::isotopeMass(m_molecule->atomicNumber(i), m_molecule->isotope(i)); center += m_molecule->atomPosition3d(i) * mass; totalMass += mass; } center /= totalMass; m_molecule->undoMolecule()->addAtom(0, center); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } void Centroid::normal() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 newPos(0.0, 0.0, 0.0); if (m_molecule->isSelectionEmpty()) { auto pair = m_molecule->bestFitPlane(); newPos = pair.second * 2.0 + pair.first; } else { Array selectedAtoms; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; selectedAtoms.push_back(m_molecule->atomPosition3d(i)); } auto pair = m_molecule->bestFitPlane(selectedAtoms); newPos = pair.second * 2.0 + pair.first; } m_molecule->undoMolecule()->addAtom(0, newPos); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/centroid/centroid.h000066400000000000000000000024501516317240700271120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CENTROID_H #define AVOGADRO_QTPLUGINS_CENTROID_H #include #include namespace Avogadro::QtPlugins { /** * @brief The Centroid class adds centroids and center-of-mass */ class Centroid : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Centroid(QObject* parent_ = nullptr); ~Centroid() override = default; QString name() const override { return tr("Centroid"); } QString description() const override { return tr("Add centroids and center-of-mass."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void addCentroid(); void addCenterOfMass(); void normal(); private: QtGui::Molecule* m_molecule; QAction* m_centroidAction; QAction* m_comAction; QAction* m_normalAction; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_BONDING_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/closecontacts/000077500000000000000000000000001516317240700261665ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/closecontacts/CMakeLists.txt000066400000000000000000000003211516317240700307220ustar00rootroot00000000000000avogadro_plugin(CloseContacts "Predictive close-contact rendering" ScenePlugin closecontacts.h CloseContacts closecontacts.cpp "") target_link_libraries(CloseContacts PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/closecontacts/closecontacts.cpp000066400000000000000000000242461516317240700315460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "closecontacts.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Atom; using Core::Bond; using Core::NeighborPerceiver; using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::GeometryNode; using Rendering::WideLineGeometry; CloseContacts::CloseContacts(QObject* p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); QSettings settings; m_maximumDistances = { settings.value("closeContacts/maximumDistance0", 2.0).toDouble(), settings.value("closeContacts/maximumDistance1", 4.0).toDouble(), settings.value("closeContacts/maximumDistance2", 4.0).toDouble() }; auto contactColor = settings.value("closeContacts/lineColor0", QColor(128, 128, 128)) .value(); auto saltBColor = settings.value("closeContacts/lineColor1", QColor(192, 0, 255)) .value(); auto repulsiveColor = settings.value("closeContacts/lineColor2", QColor(255, 64, 64)) .value(); m_lineColors = { Vector3ub(contactColor.red(), contactColor.green(), contactColor.blue()), Vector3ub(saltBColor.red(), saltBColor.green(), saltBColor.blue()), Vector3ub(repulsiveColor.red(), repulsiveColor.green(), repulsiveColor.blue()) }; m_lineWidths = { settings.value("closeContacts/lineWidth0", 2.0).toFloat(), settings.value("closeContacts/lineWidth1", 5.0).toFloat(), settings.value("closeContacts/lineWidth2", 5.0).toFloat() }; } static bool checkPairNot1213(const Molecule& molecule, Index i, Index n) { static Array bondedCache; static Index lastIndex; static bool lastIndexValid = false; if (!lastIndexValid || lastIndex != i) { bondedCache.clear(); for (const Bond* b : molecule.bonds(i)) bondedCache.push_back(b->atom1().index() == i ? b->atom2().index() : b->atom1().index()); lastIndex = i; lastIndexValid = true; } for (const Bond* b : molecule.bonds(n)) { Index m = (b->atom1().index() == n ? b->atom2() : b->atom1()).index(); if (m == i) // exclude 1-2 pairs return false; for (Index bn : bondedCache) if (bn == m) // exclude 1-3 pairs return false; } return true; } void addChargedAtom(Array& positions, Array& charges, Array& residues, const Molecule& molecule, Index residueId, Atom atom, double charge) { auto pos = molecule.atomPosition3d(atom.index()); if (molecule.formalCharge(atom.index()) != 0) { for (Index i = 0; i < positions.size(); i++) { if ((positions[i] - pos).norm() < 0.00001) { residues[i] = residueId; return; } } } positions.push_back(pos); charges.push_back(charge); residues.push_back(residueId); } void CloseContacts::process(const Molecule& molecule, Rendering::GroupNode& node) { // Add general contacts NeighborPerceiver perceiver(molecule.atomPositions3d(), m_maximumDistances[0]); std::vector isAtomEnabled(molecule.atomCount()); for (Index i = 0; i < molecule.atomCount(); ++i) isAtomEnabled[i] = m_layerManager.atomEnabled(i); auto* geometry = new GeometryNode; node.addChild(geometry); std::array lineGroups; for (Index type = 0; type < 3; type++) { lineGroups[type] = new WideLineGeometry; lineGroups[type]->identifier().molecule = &molecule; lineGroups[type]->identifier().type = Rendering::BondType; geometry->addDrawable(lineGroups[type]); } Array neighbors; for (Index i = 0; i < molecule.atomCount(); ++i) { if (!isAtomEnabled[i]) continue; Vector3 pos = molecule.atomPosition3d(i); perceiver.getNeighborsInclusiveInPlace(neighbors, pos); for (Index n : neighbors) { if (n <= i) // check each pair only once continue; if (!isAtomEnabled[n]) continue; if (!checkPairNot1213(molecule, i, n)) continue; Vector3 npos = molecule.atomPosition3d(n); double distance = (npos - pos).norm(); if (distance < m_maximumDistances[0]) lineGroups[0]->addDashedLine( pos.cast(), npos.cast(), m_lineColors[0], m_lineWidths[0] * WideLineGeometry::lineWidthScale, 8); } } // Add charged atoms Array positions; Array charges; Array residues; for (Index i = 0; i < molecule.atomCount(); ++i) { if (molecule.formalCharge(i) != 0) { if (!isAtomEnabled[i]) continue; positions.push_back(molecule.atomPosition3d(i)); charges.push_back(molecule.formalCharge(i)); residues.push_back(Index(0) - 1); } } // Add predicted charged atoms from residues for (const auto& r : molecule.residues()) { if (!r.residueName().compare("LYS")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("NZ"), 1.0); } else if (!r.residueName().compare("ARG")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("NE"), 1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("NH1"), 1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("NH2"), 1.0); } else if (!r.residueName().compare("HIS")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("ND1"), 1.0); } else if (!r.residueName().compare("ASP")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("OD1"), -1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("OD2"), -1.0); } else if (!r.residueName().compare("GLU")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("OE1"), -1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.atomByName("OE2"), -1.0); } } // detect contacts among them NeighborPerceiver ionPerceiver( positions, std::max(m_maximumDistances[1], m_maximumDistances[2])); for (Index i = 0; i < positions.size(); ++i) { const Vector3& pos = positions[i]; ionPerceiver.getNeighborsInclusiveInPlace(neighbors, pos); for (Index n : neighbors) { if (n <= i) // check each pair only once continue; if (residues[n] == residues[i] && residues[i] != Index(0) - 1) continue; // ignore intra-residue interactions Vector3 npos = positions[n]; double distance = (npos - pos).norm(); if (charges[i] * charges[n] > 0.0 && distance < m_maximumDistances[2]) lineGroups[2]->addDashedLine( pos.cast(), npos.cast(), m_lineColors[2], m_lineWidths[2] * WideLineGeometry::lineWidthScale, 8); else if (distance < m_maximumDistances[1]) lineGroups[1]->addDashedLine( pos.cast(), npos.cast(), m_lineColors[1], m_lineWidths[1] * WideLineGeometry::lineWidthScale, 8); } } } QWidget* CloseContacts::setupWidget() { auto* widget = new QWidget(qobject_cast(this->parent())); auto* v = new QVBoxLayout; auto* tabs = new QTabWidget; for (Index i = 0; i < 3; i++) { // maximum distance auto* distance_spin = new QDoubleSpinBox; distance_spin->setRange(1.5, 10.0); distance_spin->setSingleStep(0.1); distance_spin->setDecimals(1); distance_spin->setSuffix(" Å"); distance_spin->setValue(m_maximumDistances[i]); QObject::connect( distance_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float distance) { return setMaximumDistance(distance, i); }); // line width auto* lineWidth_spin = new QDoubleSpinBox; lineWidth_spin->setRange(1.0, 10.0); lineWidth_spin->setSingleStep(0.5); lineWidth_spin->setDecimals(1); lineWidth_spin->setValue(m_lineWidths[i]); QObject::connect(lineWidth_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float width) { return setLineWidth(width, i); }); auto* form = new QFormLayout; form->addRow(QObject::tr("Maximum distance:"), distance_spin); form->addRow(QObject::tr("Line width:"), lineWidth_spin); auto* page = new QWidget; page->setLayout(form); switch (i) { case 0: tabs->addTab(page, tr("Contact")); break; case 1: tabs->addTab(page, tr("Salt Bridge")); break; case 2: tabs->addTab(page, tr("Repulsive")); break; default:; } } v->addWidget(tabs); v->addStretch(1); widget->setLayout(v); return widget; } void CloseContacts::setMaximumDistance(float maximumDistance, Index index) { m_maximumDistances[index] = maximumDistance; emit drawablesChanged(); QSettings settings; settings.setValue(QString("closeContacts/maximumDistance%1").arg(index), maximumDistance); } void CloseContacts::setLineWidth(float width, Index index) { m_lineWidths[index] = width; emit drawablesChanged(); QSettings settings; settings.setValue(QString("closeContacts/lineWidth%1").arg(index), width); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/closecontacts/closecontacts.h000066400000000000000000000031471516317240700312100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CLOSECONTACTS_H #define AVOGADRO_QTPLUGINS_CLOSECONTACTS_H #include #include namespace Avogadro::QtPlugins { /** * @brief Detect and render close contacts between atoms. * @author Aritz Erkiaga */ class CloseContacts : public QtGui::ScenePlugin { Q_OBJECT public: explicit CloseContacts(QObject* parent = nullptr); ~CloseContacts() override = default; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Close Contacts", "rendering of non-covalent close contacts"); } QString description() const override { return tr("Render close contacts between atoms."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void setMaximumDistance(float maximumDistance, Index index); void setLineWidth(float width, Index index); private: std::string m_name = "Close Contacts"; std::array m_maximumDistances; std::array m_lineColors; std::array m_lineWidths; }; } // end namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_CLOSECONTACTS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/commandscripts/000077500000000000000000000000001516317240700263505ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/commandscripts/CMakeLists.txt000066400000000000000000000005211516317240700311060ustar00rootroot00000000000000# Extension set(command_srcs command.cpp ) avogadro_plugin(commands "Script commands" ExtensionPlugin command.h Command "${command_srcs}" ) target_link_libraries(commands PRIVATE Avogadro::IO Avogadro::QtGui) # We no longer bundle scripts because they should be downloaded separately. # This also helps base translations. OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/commandscripts/command.cpp000066400000000000000000000420761516317240700305030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "command.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::QtGui::InterfaceScript; using Avogadro::QtGui::InterfaceWidget; Command::Command(QObject* parent_) : ExtensionPlugin(parent_), m_molecule(nullptr), m_currentDialog(nullptr), m_currentInterface(nullptr), m_currentScript(nullptr), m_progress(nullptr), m_outputFormat(nullptr) { refreshScripts(); // Connect to PackageManager for pyproject.toml-based packages auto* pm = QtGui::PackageManager::instance(); connect(pm, &QtGui::PackageManager::featureRegistered, this, &Command::registerFeature); connect(pm, &QtGui::PackageManager::featureRemoved, this, &Command::unregisterFeature); } Command::~Command() { qDeleteAll(m_dialogs.values()); m_dialogs.clear(); } QList Command::actions() const { return m_actions; } QStringList Command::menuPath(QAction* action) const { // Package-based actions carry their menu path in a property QVariant pkgMenuPath = action->property("packageMenuPath"); if (pkgMenuPath.isValid()) return pkgMenuPath.toStringList(); QString scriptFileName = action->data().toString(); QStringList path; // if we have an empty script name, default to Extensions > Scripts if (scriptFileName.isEmpty()) { path << tr("&Extensions") << tr("Scripts"); return path; } // cache the menu paths QSettings settings; QFileInfo info(scriptFileName); // check if the script matches the hash QString hash = settings.value("scripts/" + scriptFileName + "/hash").toString(); if (hash == QString::number(info.size()) + info.lastModified().toString()) { path = settings.value("scripts/" + scriptFileName + "/menu").toStringList(); if (!path.isEmpty()) return path; } // otherwise, we have a script name, so ask it InterfaceScript gen(scriptFileName); path = gen.menuPath().split('|'); if (gen.hasErrors()) { path << tr("&Extensions") << tr("Scripts"); qWarning() << "Command: Unable to retrieve menu " "name for: " << scriptFileName << "." << gen.errorList().join("\n\n"); return path; } // look for {number} in the last part of the path // (this is a priority integer) QString lastPart = path.takeLast(); int priority = 0; int braceIndex = lastPart.indexOf('{'); int endBraceIndex = lastPart.indexOf('}'); if (braceIndex >= 0 && endBraceIndex >= 0 && endBraceIndex > braceIndex) { bool ok = false; size_t len = endBraceIndex - braceIndex - 1; priority = lastPart.mid(braceIndex + 1, len).toInt(&ok); if (ok) { lastPart = lastPart.left(braceIndex); } } // add it back to the path path << lastPart; // cache the path settings.setValue("scripts/" + scriptFileName + "/menu", path); if (priority != 0) { action->setProperty("menu priority", priority); } // try to translate each part of the path // not ideal, but most menus should already be in the translation file QStringList translatedPath; foreach (QString part, path) translatedPath << tr(part.toUtf8()); return translatedPath; } void Command::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; m_molecule = mol; foreach (InterfaceWidget* dlg, m_dialogs.values()) dlg->setMolecule(mol); } bool Command::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void Command::refreshScripts() {} void Command::menuActivated() { auto* theSender = qobject_cast(sender()); if (!theSender) return; QWidget* theParent = qobject_cast(parent()); if (m_currentDialog) { delete m_currentDialog->layout(); if (m_currentInterface) m_currentInterface->hide(); } bool isPackage = theSender->property("packageMode").toBool(); QString key; // dialog cache key InterfaceWidget* widget = nullptr; if (isPackage) { QString pkgDir = theSender->property("packageDir").toString(); QString pkgCmd = theSender->property("packageCommand").toString(); QString pkgId = theSender->property("packageIdentifier").toString(); key = QtGui::PackageManager::packageFeatureKey(pkgDir, pkgCmd, pkgId); widget = m_dialogs.value(key, nullptr); if (!widget) { widget = new InterfaceWidget(QString(), theParent); widget->interfaceScript().interpreter().setPackageInfo( pkgDir, pkgCmd, pkgId, theSender->property("packageDisplayName").toString()); // Build options from pyproject.toml metadata; never call --print-options // for package-based commands (mirrors QuantumInput::menuActivated()). QJsonObject opts; QString inputFormat = theSender->property("packageInputFormat").toString(); if (!inputFormat.isEmpty()) opts.insert(QStringLiteral("inputMoleculeFormat"), inputFormat); // The pyproject.toml [avogadro.X] table may declare a separate // user-options file (JSON or TOML), or the literal "dynamic" to run // the script with --user-options. Its keys are the user-facing // option definitions and must be wrapped under "userOptions" so that // JsonWidget::buildOptionGui() recognises them and builds the dialog. QString userOptionsRel = theSender->property("packageUserOptions").toString(); if (!userOptionsRel.isEmpty()) { QJsonObject userOpts = QtGui::PackageManager::resolveUserOptions( userOptionsRel, pkgDir, pkgCmd, pkgId); if (!userOpts.isEmpty()) opts.insert(QStringLiteral("userOptions"), userOpts); } // Pre-populate the cached options so reloadOptions() does not invoke // the script with --print-options. widget->interfaceScript().setOptionsJson(opts); widget->reloadOptions(); m_dialogs.insert(key, widget); } } else { key = theSender->data().toString(); widget = m_dialogs.value(key, nullptr); if (!widget) { widget = new InterfaceWidget(key, theParent); m_dialogs.insert(key, widget); } } widget->setMolecule(m_molecule); m_currentInterface = widget; if (widget->isEmpty()) { run(); // no options, do it immediately return; } m_currentDialog = new QDialog(theParent); m_currentDialog->setWindowTitle(theSender->text()); auto* vbox = new QVBoxLayout(); widget->show(); vbox->addWidget(widget); auto* buttonBox = new QDialogButtonBox(QDialogButtonBox::Ok | QDialogButtonBox::Cancel); connect(buttonBox, SIGNAL(accepted()), this, SLOT(run())); connect(buttonBox, SIGNAL(rejected()), m_currentDialog, SLOT(reject())); vbox->addWidget(buttonBox); m_currentDialog->setLayout(vbox); m_currentDialog->exec(); } void Command::run() { if (m_currentDialog) m_currentDialog->accept(); if (m_progress) m_progress->deleteLater(); if (m_currentScript) { disconnect(m_currentScript, SIGNAL(finished()), this, SLOT(processFinished())); m_currentScript->deleteLater(); } if (m_currentInterface) { QJsonObject collected = m_currentInterface->collectOptions(); const auto& iface = m_currentInterface->interfaceScript(); // Create a new InterfaceScript with the same configuration m_currentScript = new InterfaceScript(parent()); const auto& interp = iface.interpreter(); QJsonObject options; if (interp.isPackageMode()) { m_currentScript->interpreter().setPackageInfo( interp.packageDir(), interp.packageCommand(), interp.packageIdentifier(), interp.packageDisplayName()); // Copy cached options so insertMolecule() doesn't call --print-options m_currentScript->setOptionsJson(iface.options()); // Wrap user selections under "options" so Python receives them as // avo_input["options"]["key"] (matching the package plugin convention). options.insert(QStringLiteral("options"), collected); } else { m_currentScript->setScriptFilePath(iface.scriptFilePath()); options = collected; } connect(m_currentScript, SIGNAL(finished()), this, SLOT(processFinished())); // no cancel button - just an indication we're waiting... QString title = tr("Processing %1").arg(iface.displayName()); m_progress = new QProgressDialog(title, QString(), 0, 0, qobject_cast(parent())); m_progress->setMinimumDuration(1000); // 1 second m_currentScript->runCommand(options, m_molecule); } } void Command::processFinished() { if (m_currentScript == nullptr) return; if (m_progress) { m_progress->close(); m_progress->deleteLater(); m_progress = nullptr; } m_currentScript->processCommand(m_molecule); // collect errors if (m_currentScript->hasErrors()) { qWarning() << m_currentScript->errorList(); } } void Command::configurePython() { // Create objects QSettings settings; QDialog dlg(qobject_cast(parent())); auto* label = new QLabel; auto* layout = new QVBoxLayout; auto* browser = new QtGui::FileBrowseWidget; auto* buttonBox = new QDialogButtonBox; // Configure objects // Check for python interpreter in env var QString pythonInterp = QString::fromLocal8Bit(qgetenv("AVO_PYTHON_INTERPRETER")); if (pythonInterp.isEmpty()) { // Check settings pythonInterp = settings.value("interpreters/python", QString()).toString(); } // Use compile-time default if still not found. if (pythonInterp.isEmpty()) pythonInterp = QString(pythonInterpreterPath); browser->setMode(QtGui::FileBrowseWidget::ExecutableFile); browser->setFileName(pythonInterp); buttonBox->setStandardButtons(QDialogButtonBox::Ok | QDialogButtonBox::Cancel); dlg.setWindowTitle(tr("Set path to Python interpreter:")); label->setText( tr("Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect.")); // Build layout layout->addWidget(label); layout->addWidget(browser); layout->addWidget(buttonBox); dlg.setLayout(layout); // Connect connect(buttonBox, SIGNAL(accepted()), &dlg, SLOT(accept())); connect(buttonBox, SIGNAL(rejected()), &dlg, SLOT(reject())); // Show dialog auto response = static_cast(dlg.exec()); if (response != QDialog::Accepted) return; // Handle response settings.setValue("interpreters/python", browser->fileName()); } void Command::registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata) { if (type != QLatin1String("menu-commands")) return; // Extract the path for the command's menu item // The TOML values that specify this are the following: // // [[menu-commands]] // menu = string | table // submenu = string | table // subsubmenu = string | table // item = string | table // menu-priorities = array[integer] // // The intermediate levels (submenu and subsubmenu) are optional. // // Each label in the cascade (menu, submenu, subsubmenu, item) is either a // normal UTF-8 string or a table of localized strings. // A localization table takes the form: // item = { default = "...", = "...", = "...", ... } // (It may of course be formatted as a separate table with a header). // Examples of locale strings are "fr", "de", "de_DE", "en_GB" // Localized strings *must* include a "default" key, which is the fallback // value if the current locale is not found (generally US English, but this // should not be relied upon). // // The menu-priorities array *must* contain exactly 1 fewer integer than the // number of labels (though priority 0 is used as a fallback to avoid crashes) // If the labels are ordered in an array [menu, (submenu), (subsubmenu), item] // the integer at index i in priorities specifies the priority of the label // [i + 1] within label [i], e.g. menu-priorities = [ 400, 200 ] specifies // that the item should have priority 200 within the submenu and the submenu // should have priority 400 within the menu. // Items/submenus within a menu will be displayed in order of priority, with // those with a higher priority nearer to the top. Ties are sorted // alphabetically. // Items with priorities within the same 100 span are grouped together (0-99 // in the first group, 100-199 in the next, and so on). A separator is // inserted automatically between each group. auto resolveLabel = [](const QVariant& var) -> QString { if (var.typeId() == QMetaType::QVariantMap) { QVariantMap m = var.toMap(); // TODO: use the actual locale from --lang arg return m.value(QStringLiteral("default")).toString(); } return var.toString(); }; QString topMenu = resolveLabel(metadata.value("menu")); QString subMenu = resolveLabel(metadata.value("submenu")); QString subSubMenu = resolveLabel(metadata.value("subsubmenu")); QString item = resolveLabel(metadata.value("item")); // If nothing is specified at all, just add under Extensions > Scripts with // the identifier as the label if (topMenu.isEmpty() && item.isEmpty()) { topMenu = tr("&Extensions"); subMenu = tr("Scripts"); item = identifier; } // Build menu path list QStringList menuPathList; menuPathList << topMenu; if (!subMenu.isEmpty()) { menuPathList << subMenu; } if (!subSubMenu.isEmpty()) { menuPathList << subSubMenu; } // Extract priorities QVariantList priorities = metadata.value("menu-priorities").toList(); int menuPriority = priorities.size() > 0 ? priorities[0].toInt() : 0; int subMenuPriority = priorities.size() > 1 ? priorities[1].toInt() : 0; int subSubMenuPriority = priorities.size() > 2 ? priorities[2].toInt() : 0; // Create the action auto* action = new QAction(item, this); action->setProperty("packageMode", true); action->setProperty("packageDir", packageDir); action->setProperty("packageCommand", command); action->setProperty("packageIdentifier", identifier); action->setProperty("packageDisplayName", item); action->setProperty("packageMenuPath", menuPathList); action->setProperty("packageUserOptions", metadata.value("user-options").toString()); action->setProperty("packageInputFormat", metadata.value("input-format").toString()); action->setEnabled(true); // TODO priorities in higher level menus? Probably needs change in MenuBuilder if (priorities.size() > 0) action->setProperty("menu priority", priorities.last()); connect(action, SIGNAL(triggered()), SLOT(menuActivated())); m_actions << action; m_packageActions.insert( QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier), action); emit actionsChanged(); } void Command::unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier) { if (type != QLatin1String("menu-commands")) return; const QString featureKey = QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier); const QList actions = m_packageActions.values(featureKey); if (actions.isEmpty()) return; m_packageActions.remove(featureKey); InterfaceWidget* widget = m_dialogs.take(featureKey); if (widget) { if (widget == m_currentInterface) { if (m_currentDialog) { m_currentDialog->reject(); m_currentDialog->deleteLater(); m_currentDialog = nullptr; } m_currentInterface = nullptr; } delete widget; } for (QAction* action : actions) { m_actions.removeAll(action); action->deleteLater(); } emit actionsChanged(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/commandscripts/command.h000066400000000000000000000050231516317240700301370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COMMAND_H #define AVOGADRO_QTPLUGINS_COMMAND_H #include #include #include #include class QAction; class QDialog; class QProgressDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class InterfaceScript; class InterfaceWidget; } // namespace QtGui namespace QtPlugins { /** * @brief The Command class implements the extension interface for * external (script) Commands * @author Geoffrey R. Hutchison */ class Command : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Command(QObject* parent = nullptr); ~Command() override; QString name() const override { return tr("Command scripts"); } QString description() const override { return tr("Run external script commands"); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Scan for new scripts in the command directories. */ void refreshScripts(); void run(); bool readMolecule(QtGui::Molecule& mol) override; void processFinished(); /** * Handle a feature registered by PackageManager. */ void registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata); /** * Handle a feature removed by PackageManager. */ void unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier); private slots: void menuActivated(); void configurePython(); private: QList m_actions; QtGui::Molecule* m_molecule; // keyed on script file path or package feature key QMap m_dialogs; QDialog* m_currentDialog; QtGui::InterfaceWidget* m_currentInterface; QtGui::InterfaceScript* m_currentScript; QProgressDialog* m_progress; QMultiHash m_packageActions; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COMMAND_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/000077500000000000000000000000001516317240700265455ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/CMakeLists.txt000066400000000000000000000003531516317240700313060ustar00rootroot00000000000000avogadro_plugin(ConfigurePython "Configure Python environments." ExtensionPlugin configurepython.h ConfigurePython "condadialog.cpp;configurepython.cpp;configurepythondialog.cpp" "condadialog.ui;configurepythondialog.ui" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/condadialog.cpp000066400000000000000000000012401516317240700315120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "condadialog.h" #include "ui_condadialog.h" namespace Avogadro::QtPlugins { CondaDialog::CondaDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::CondaDialog) { m_ui->setupUi(this); } CondaDialog::~CondaDialog() { delete m_ui; } QString CondaDialog::environmentName() const { return m_ui->environmentName->text(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/condadialog.h000066400000000000000000000015311516317240700311620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONDADIALOG_H #define AVOGADRO_QTPLUGINS_CONDADIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class CondaDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class CondaDialog : public QDialog { Q_OBJECT public: explicit CondaDialog(QWidget* parent = nullptr); ~CondaDialog() override; QString environmentName() const; private: Ui::CondaDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONDADIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/condadialog.ui000066400000000000000000000052771516317240700313630ustar00rootroot00000000000000 Avogadro::QtPlugins::CondaDialog 0 0 376 169 0 0 Python Settings… Only the “base” conda environment exists. Would you like to create a new environment for Avogadro? This will make a copy of your base environment. Environment name: avogadro Qt::Vertical 20 0 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtPlugins::CondaDialog accept() 187 148 187 84 buttonBox rejected() Avogadro::QtPlugins::CondaDialog reject() 187 148 187 84 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/configurepython.cpp000066400000000000000000000202061516317240700324740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "configurepython.h" #include "configurepythondialog.h" #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::FileBrowseWidget; using QtGui::Utilities::findExecutablePaths; ConfigurePython::ConfigurePython(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(this)), m_dialog(nullptr) { m_action->setEnabled(true); m_action->setText(tr("Python Settings…")); m_action->setProperty("menu priority", 510); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); // check for Python on first launch QSettings settings; if (!settings.value("interpreters/firstlaunch", false).toBool()) { // First, check if pixi is available (plugins will use it for installs) #ifdef Q_OS_WIN QString pixiName = QStringLiteral("pixi.exe"); #else QString pixiName = QStringLiteral("pixi"); #endif QString pixiPath = QtGui::Utilities::findExecutablePath(pixiName); if (pixiPath.isEmpty()) { // No pixi, check for python/python3 (plugins will use pip) // pythonPaths() checks PATH, Windows common install locations, // environment variables, and validates each with a version check QStringList paths = pythonPaths(); if (paths.isEmpty()) { // No pixi or python found — suggest installing miniforge auto option = QMessageBox::information( qobject_cast(parent()), tr("Install Python"), tr("Python is used for many Avogadro " "features. Do you want to download Python?"), QMessageBox::Yes | QMessageBox::No, QMessageBox::Yes); if (option == QMessageBox::Yes) { QUrl miniforge; #ifdef Q_OS_WIN // TODO: ARM or Intel? .. conda-forge doesn't have ARM builds yet miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Windows-x86_64.exe"); #elif defined(Q_OS_MACOS) if (QSysInfo::currentCpuArchitecture().contains("arm")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-MacOSX-arm64.sh"); else miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-MacOSX-x86_64.sh"); #else QString arch = QSysInfo::currentCpuArchitecture(); if (arch == QLatin1String("arm64")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Linux-aarch64.sh"); else if (arch == QLatin1String("power64")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Linux-ppc64le.sh"); else if (arch == QLatin1String("x86_64")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Linux-x86_64.sh"); #endif if (miniforge.isValid()) { QDesktopServices::openUrl(miniforge); QDesktopServices::openUrl( QUrl("https://github.com/conda-forge/" "miniforge?tab=readme-ov-file#install")); } } } } settings.setValue("interpreters/firstlaunch", true); } } ConfigurePython::~ConfigurePython() { delete m_action; } QList ConfigurePython::actions() const { return QList() << m_action; } QStringList ConfigurePython::menuPath(QAction*) const { return QStringList() << tr("&Extensions"); } void ConfigurePython::accept() { if (m_dialog == nullptr) return; // Save the settings QSettings settings; settings.setValue("interpreters/python", m_dialog->currentOption()); // check if the dialog has a conda environment selected if (!m_dialog->condaEnvironment().isEmpty()) { settings.setValue("interpreters/condaEnvironment", m_dialog->condaEnvironment()); // get the path to conda QString condaPath = m_dialog->condaPath(); if (!condaPath.isEmpty()) { settings.setValue("interpreters/condaPath", condaPath); } } // TODO: reload the python interpreters } QStringList ConfigurePython::pythonPaths() const { // Check for python interpreter in env var QString pythonInterp = QString::fromLocal8Bit(qgetenv("AVO_PYTHON_INTERPRETER")); if (pythonInterp.isEmpty()) { // Check settings QSettings settings; pythonInterp = settings.value("interpreters/python", QString()).toString(); } // Use compile-time default if still not found. if (pythonInterp.isEmpty()) pythonInterp = QString(pythonInterpreterPath); // get the list from the system path QStringList names; #ifdef Q_OS_WIN names << "python3.exe" << "python.exe"; #else names << "python3" << "python"; #endif QStringList paths = findExecutablePaths(names); // Add the current interpreter to the list // it may be filtered out by the loop below if (!paths.contains(pythonInterp)) { paths.prepend(pythonInterp); } #ifdef Q_OS_WIN // on Windows, check for a few possible locations // if they exist, add them to the list // e.g. C:\Program Files\Python* // C:\Program Files (x86)\Python* QStringList programDirs; programDirs << "C:/Program Files" << "C:/Program Files (x86)"; // might also be in the APPDATA folder QString homePath = QDir::homePath(); if (!homePath.isEmpty()) { programDirs << homePath + "/AppData/Local/Programs"; programDirs << homePath + "/AppData/Local/Programs/Python"; } foreach (const QString& dir, programDirs) { QDir programFiles(dir); QStringList pythonDirs = programFiles.entryList( QStringList() << "Python*", QDir::Dirs | QDir::NoDotAndDotDot); // check if there's a python3.exe or python.exe foreach (const QString& pythonDir, pythonDirs) { QDir pythonDirInfo(dir + "/" + pythonDir); if (pythonDirInfo.exists("python3.exe")) paths << pythonDirInfo.absolutePath() + "/python3.exe"; else if (pythonDirInfo.exists("python.exe")) paths << pythonDirInfo.absolutePath() + "/python.exe"; } } #endif // check to make sure each of the items are valid or remove them // (i.e., the python should return a version flag) QStringList validPaths; QStringList arguments; arguments << "-V"; foreach (const QString& path, paths) { QFileInfo info(path); if (info.exists() && info.isExecutable()) { // try to run it to get the version QProcess process; process.start(path, arguments); if (process.waitForFinished()) { QString output = process.readAllStandardOutput(); // should be like Python 3.10.14 if (output.startsWith("Python")) { QString version = output.split(" ").at(1).simplified(); // make sure it's at least Python 3 // in the future, we can ensure particular releases if (version.startsWith("3")) validPaths << path; } } // if we didn't get results, it's not valid } } return validPaths; } void ConfigurePython::showDialog() { if (m_dialog == nullptr) { m_dialog = new ConfigurePythonDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(accepted()), SLOT(accept())); } // Populate the dialog with the current settings QStringList pythonInterps = pythonPaths(); m_dialog->setOptions(pythonInterps); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/configurepython.h000066400000000000000000000024151516317240700321430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONFIGUREPYTHON_H #define AVOGADRO_QTPLUGINS_CONFIGUREPYTHON_H #include namespace Avogadro { namespace QtPlugins { class ConfigurePythonDialog; /** * @brief Configure Python environment through a dialog. */ class ConfigurePython : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ConfigurePython(QObject* parent_ = nullptr); ~ConfigurePython() override; QString name() const override { return tr("ConfigurePython"); } QString description() const override { return tr("Configure Python environments."); } QList actions() const override; QStringList menuPath(QAction*) const override; QStringList pythonPaths() const; void setMolecule(QtGui::Molecule*) override {} private slots: void showDialog(); void accept(); private: QAction* m_action; ConfigurePythonDialog* m_dialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONFIGUREPYTHON_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/configurepythondialog.cpp000066400000000000000000000204111516317240700336520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "configurepythondialog.h" #include "condadialog.h" #include "ui_configurepythondialog.h" #include #include #include #include #include using Avogadro::QtGui::Utilities::findExecutablePaths; namespace Avogadro::QtPlugins { ConfigurePythonDialog::ConfigurePythonDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::ConfigurePythonDialog), m_condaUi(nullptr) { m_ui->setupUi(this); m_ui->browseWidget->hide(); connect(m_ui->environmentCombo, SIGNAL(currentIndexChanged(int)), SLOT(optionChanged(int))); connect(m_ui->buttonBox, SIGNAL(accepted()), SLOT(accept())); connect(m_ui->buttonBox, SIGNAL(rejected()), SLOT(reject())); // look for conda environments QProcess condaProcess; QSettings settings; QString condaPath = settings.value("interpreters/condaPath", "conda").toString(); // check if conda is executable if (!QFileInfo(condaPath).isExecutable()) { // see if we can find any related executables in the path QStringList names; names << "micromamba" << "mamba" << "conda"; #ifdef Q_OS_WIN names << "micromamba.exe" << "mamba.exe" << "conda.exe"; #endif QStringList paths = findExecutablePaths(names); if (!paths.isEmpty()) { condaPath = paths.first(); } else return; // nothing more to do } // set the path to conda settings.setValue("interpreters/condaPath", condaPath); // get the list of environments condaProcess.start(condaPath, QStringList() << "env" << "list"); if (condaProcess.waitForFinished()) { QString output = condaProcess.readAllStandardOutput(); QStringList lines = output.split("\n"); foreach (const QString& line, lines) { if (line.startsWith("#")) continue; QStringList parts = line.split(" "); if (parts.size() > 1) m_condaEnvironments << parts.at(0); } } if (m_condaEnvironments.size() < 2) { // no environment or only the base found setupCondaEnvironment(); } } ConfigurePythonDialog::~ConfigurePythonDialog() { delete m_ui; } void ConfigurePythonDialog::setupCondaEnvironment() { // suggest the user create a new environment through a dialog if (m_condaUi == nullptr) { m_condaUi = new CondaDialog(qobject_cast(parent())); } int choice = m_condaUi->exec(); if (choice == QDialog::Rejected) return; QString newEnvironment = m_condaUi->environmentName(); if (newEnvironment.isEmpty()) return; // create the environment QProcess condaProcess; QSettings settings; QString condaPath = settings.value("interpreters/condaPath", "conda").toString(); // check if conda is executable if (!QFileInfo(condaPath).isExecutable()) { // see if we can find any related executables in the path QStringList names; names << "micromamba" << "mamba" << "conda"; #ifdef Q_OS_WIN names << "micromamba.exe" << "mamba.exe" << "conda.exe"; #endif QStringList paths = findExecutablePaths(names); if (!paths.isEmpty()) { condaPath = paths.first(); } else return; // nothing more to do } QStringList arguments; arguments << "create" << "-n" << newEnvironment << "--clone" << "base"; condaProcess.start(condaPath, arguments); if (condaProcess.waitForFinished()) { QString output = condaProcess.readAllStandardOutput(); if (output.contains("done")) { // environment created m_condaEnvironments << newEnvironment; settings.setValue("interpreters/condaEnvironment", newEnvironment); } } } QString ConfigurePythonDialog::condaPath() const { QSettings settings; QString path = settings.value("interpreters/condaPath").toString(); return path; } QString ConfigurePythonDialog::condaEnvironment() const { QSettings settings; QString environment = settings.value("interpreters/condaEnvironment").toString(); return environment; } void ConfigurePythonDialog::setOptions(const QStringList& options) { m_ui->environmentCombo->clear(); // check the current choice from QSettings QSettings settings; QString currentInterpreter = settings.value("interpreters/python", QString()).toString(); QString currentConda = settings.value("interpreters/condaEnvironment", QString()).toString(); int index = -1; // add all conda environments foreach (const QString& environment, m_condaEnvironments) { if (environment.isEmpty()) continue; // shouldn't happen, but just in case m_ui->environmentCombo->addItem(QString("%1 (conda)").arg(environment)); if (environment == currentConda) index = m_ui->environmentCombo->count() - 1; } // get the Python version from each interpreter QStringList versions, arguments; QProcess process; arguments << "-V"; foreach (const QString& option, options) { process.start(option, arguments); if (process.waitForFinished()) { QString output = process.readAllStandardOutput(); if (output.startsWith("Python")) { versions << output.split(" ").at(1).simplified(); } else { versions << tr("Unknown"); } } else { versions << tr("Unknown"); } } for (int i = 0; i < options.size(); ++i) { m_ui->environmentCombo->addItem( QString("%1 (%2)").arg(options.at(i)).arg(versions.at(i))); // if the conda environment isn't the current, check the python interpreter if (options.at(i) == currentInterpreter && index == -1) index = m_ui->environmentCombo->count() - 1; } m_ui->environmentCombo->addItem(tr("Other…")); // set the current choice if (index >= 0) m_ui->environmentCombo->setCurrentIndex(index); m_ui->browseWidget->hide(); } void ConfigurePythonDialog::optionChanged(int index) { // if there's only one choice, check if it's "Other…" if ((index == m_ui->environmentCombo->count() - 1) || m_ui->environmentCombo->currentText() == tr("Other…")) { // "Other…" selected m_ui->browseWidget->setEnabled(true); m_ui->browseWidget->show(); } else { m_ui->browseWidget->setEnabled(false); m_ui->browseWidget->hide(); } } QString ConfigurePythonDialog::currentOption() const { if (m_ui->environmentCombo->currentIndex() == m_ui->environmentCombo->count() - 1) return m_ui->browseWidget->fileName(); QString path = m_ui->environmentCombo->currentText(); // check if this is a conda choice int index = path.indexOf(" (conda)"); if (index >= 0) { // get the environment name QString environment = path.left(index); QSettings settings; settings.setValue("interpreters/condaEnvironment", environment); // activate the environment and get the path to the python interpreter QProcess condaProcess; QString condaPath = settings.value("interpreters/condaPath", "conda").toString(); // check if conda is executable if (!QFileInfo(condaPath).isExecutable()) return QString(); condaProcess.start(condaPath, QStringList() << "run" << "-n" << environment << "which" << "python"); if (condaProcess.waitForFinished()) { QString output = condaProcess.readAllStandardOutput(); qDebug() << " output: " << output << "\n"; if (output.contains("python")) { // remove the newline output.remove("\n"); return output; } } } // remove the Python version to get the path index = path.indexOf(" ("); if (index >= 0) return path.left(index); return path; } void ConfigurePythonDialog::reject() { QDialog::reject(); emit rejected(); } void ConfigurePythonDialog::accept() { QDialog::accept(); emit accepted(); } void ConfigurePythonDialog::setCurrentOption(const QString& option) { int index = m_ui->environmentCombo->findText(option); if (index >= 0) m_ui->environmentCombo->setCurrentIndex(index); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/configurepythondialog.h000066400000000000000000000025211516317240700333210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONFIGUREPYTHONDIALOG_H #define AVOGADRO_QTPLUGINS_CONFIGUREPYTHONDIALOG_H #include namespace Avogadro { namespace QtPlugins { class CondaDialog; namespace Ui { class ConfigurePythonDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class ConfigurePythonDialog : public QDialog { Q_OBJECT public: explicit ConfigurePythonDialog(QWidget* parent = nullptr); ~ConfigurePythonDialog() override; void setupCondaEnvironment(); void setOptions(const QStringList& options); void setCurrentOption(const QString& option); QString currentOption() const; QString condaPath() const; QString condaEnvironment() const; signals: void accepted(); void rejected(); protected slots: void optionChanged(int index); void accept() override; void reject() override; private: Ui::ConfigurePythonDialog* m_ui; CondaDialog* m_condaUi; QStringList m_condaEnvironments; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONFIGUREPYTHONDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/configurepython/configurepythondialog.ui000066400000000000000000000064721516317240700335200ustar00rootroot00000000000000 Avogadro::QtPlugins::ConfigurePythonDialog 0 0 376 166 0 0 Python Settings… Select the Python version used to run scripts. Avogadro must be restarted for any changes to take effect. Environment: Qt::Horizontal 40 20 false Qt::Vertical 20 0 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok QtGui::FileBrowseWidget QWidget
avogadro/qtgui/filebrowsewidget.h
1 buttonBox accepted() Avogadro::QtPlugins::ConfigurePythonDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::ConfigurePythonDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/000077500000000000000000000000001516317240700256715ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/CMakeLists.txt000066400000000000000000000005461516317240700304360ustar00rootroot00000000000000 set(constraints constraintsextension.cpp constraintsdialog.cpp constraintsmodel.cpp ) set(constraints_uis constraintsdialog.ui ) avogadro_plugin(ConstraintsExtension "Constraints extension" ExtensionPlugin constraintsextension.h ConstraintsExtension "${constraints}" "${constraints_uis}" ) target_link_libraries(ConstraintsExtension) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsdialog.cpp000066400000000000000000000272101516317240700321260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "constraintsdialog.h" #include "ui_constraintsdialog.h" #include #include #include #include using Avogadro::Core::Constraint; using Avogadro::QtGui::Molecule; namespace Avogadro { namespace QtPlugins { ConstraintsDialog::ConstraintsDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), ui(new Ui::ConstraintsDialog), m_model(new ConstraintsModel) { ui->setupUi(this); connect(ui->comboType, SIGNAL(currentIndexChanged(int)), this, SLOT(changeType(int))); connect(ui->okButton, SIGNAL(clicked()), this, SLOT(acceptConstraints())); connect(ui->addConstraint, SIGNAL(clicked()), this, SLOT(addConstraint())); connect(ui->getConstraint, SIGNAL(clicked()), this, SLOT(getConstraint())); connect(ui->deleteConstraint, SIGNAL(clicked()), this, SLOT(deleteConstraint())); connect(ui->deleteAllConstraints, SIGNAL(clicked()), this, SLOT(deleteAllConstraints())); changeType(0); // TODO use sort model auto* proxyModel = new QSortFilterProxyModel(this); proxyModel->setSourceModel(m_model); proxyModel->setDynamicSortFilter(true); proxyModel->setSortLocaleAware(true); // this role will received direct floating-point numbers from the model proxyModel->setSortRole(Qt::UserRole); auto* view = ui->constraintsTableView; view->setModel(proxyModel); view->horizontalHeader()->setSectionResizeMode(QHeaderView::Stretch); view->resizeColumnsToContents(); view->setSelectionBehavior(QAbstractItemView::SelectRows); view->setAlternatingRowColors(true); // TODO: Allow sorting the table // requires remapping connect(view->selectionModel(), SIGNAL(currentChanged(const QModelIndex&, const QModelIndex&)), this, SLOT(highlightSelected(const QModelIndex&, const QModelIndex&))); } ConstraintsDialog::~ConstraintsDialog() { delete ui; m_model->deleteLater(); } void ConstraintsDialog::setMolecule(QtGui::Molecule* molecule) { m_molecule = molecule; m_model->setConstraints(molecule->constraints()); connect(m_molecule, SIGNAL(changed(unsigned int)), this, SLOT(updateConstraints())); } void ConstraintsDialog::highlightSelected(const QModelIndex& newIndex, const QModelIndex& oldIndex) { // get the selected row in the table auto row = ui->constraintsTableView->currentIndex().row(); m_model->currentRow = row; if (row < 0 || row >= m_model->rowCount()) return; // get the constraint auto constraint = m_model->constraint(row); if (constraint.type() == Constraint::None) return; // unselect everything else in the molecule for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); // select the atoms in the constraint m_molecule->undoMolecule()->setAtomSelected(constraint.aIndex(), true); m_molecule->undoMolecule()->setAtomSelected(constraint.bIndex(), true); if (constraint.cIndex() != MaxIndex) m_molecule->undoMolecule()->setAtomSelected(constraint.cIndex(), true); if (constraint.dIndex() != MaxIndex) m_molecule->undoMolecule()->setAtomSelected(constraint.dIndex(), true); m_molecule->emitChanged(Molecule::Selection); } void ConstraintsDialog::updateConstraints() { if (m_molecule == nullptr || m_model == nullptr) return; m_model->setConstraints(m_molecule->constraints()); ui->constraintsTableView->resizeColumnsToContents(); // update the maximum atoms on the spin boxes Index maxAtom = m_molecule->atomCount(); ui->editA->setMaximum(maxAtom); ui->editB->setMaximum(maxAtom); ui->editC->setMaximum(maxAtom); ui->editD->setMaximum(maxAtom); // get the list of selected atoms (if any) std::vector selectedAtoms; for (Index i = 0; i < m_molecule->atomCount(); ++i) if (m_molecule->atomSelected(i)) selectedAtoms.push_back(i); // change the type if (selectedAtoms.size() == 2) changeType(0); else if (selectedAtoms.size() == 3) changeType(1); else if (selectedAtoms.size() == 4) changeType(2); // Each entry bonded[i] holds the atom indices bonded to selectedAtoms[i] std::vector> bonded(selectedAtoms.size()); for (Index i = 0; i < selectedAtoms.size(); ++i) { Index ai = selectedAtoms[i]; for (Index j = i + 1; j < selectedAtoms.size(); ++j) { Index aj = selectedAtoms[j]; if (m_molecule->bond(ai, aj).isValid()) { bonded[i].push_back(j); // neighbor atom local index bonded[j].push_back(i); // symmetric } } } std::vector degree(selectedAtoms.size(), 0); for (Index i = 0; i < selectedAtoms.size(); ++i) degree[i] = static_cast(bonded[i].size()); // Arrange selected atoms according to connectivity if (selectedAtoms.size() == 3) { Index i1, i2, i3; bool assigned = false; for (Index i = 0; i < selectedAtoms.size(); ++i) { if (degree[i] == 2) { i2 = selectedAtoms[i]; i1 = selectedAtoms[bonded[i][0]]; i3 = selectedAtoms[bonded[i][1]]; assigned = true; } else if (degree[i] == 0) { return; } if (assigned) break; } if (not assigned) return; // Set corrrect order selectedAtoms[0] = i1; selectedAtoms[1] = i2; selectedAtoms[2] = i3; } else if (selectedAtoms.size() == 4) { Index i1, i2, i3, i4; bool assigned = false; for (Index i = 0; i < selectedAtoms.size(); ++i) { if (degree[i] == 2) { i2 = selectedAtoms[i]; if (degree[bonded[i][0]] == 2) { i1 = selectedAtoms[bonded[i][1]]; i3 = bonded[i][0]; } else if (degree[bonded[i][1]] == 2) { i1 = selectedAtoms[bonded[i][0]]; i3 = bonded[i][1]; } else { return; } if (selectedAtoms[bonded[i3][0]] == i2) { i4 = selectedAtoms[bonded[i3][1]]; } else { i4 = selectedAtoms[bonded[i3][0]]; } i3 = selectedAtoms[i3]; assigned = true; } else if (degree[i] == 0) { return; } if (assigned) break; } if (not assigned) return; // Set corrrect order selectedAtoms[0] = i1; selectedAtoms[1] = i2; selectedAtoms[2] = i3; selectedAtoms[3] = i4; } // now set the edit boxes to the selected atoms if (selectedAtoms.size() >= 2) { ui->editA->setValue(selectedAtoms[0] + 1); ui->editB->setValue(selectedAtoms[1] + 1); } if (selectedAtoms.size() >= 3) { ui->editC->setValue(selectedAtoms[2] + 1); } if (selectedAtoms.size() == 4) { ui->editD->setValue(selectedAtoms[3] + 1); } // finally set the default value in editValue if (selectedAtoms.size() == 2) { Vector3 a = m_molecule->atomPosition3d(selectedAtoms[0]); Vector3 b = m_molecule->atomPosition3d(selectedAtoms[1]); double distance = (a - b).norm(); ui->editValue->setValue(distance); } else if (selectedAtoms.size() == 3) { Vector3 a = m_molecule->atomPosition3d(selectedAtoms[0]); Vector3 b = m_molecule->atomPosition3d(selectedAtoms[1]); Vector3 c = m_molecule->atomPosition3d(selectedAtoms[2]); double angle = calculateAngle(a, b, c); ui->editValue->setValue(angle); } else if (selectedAtoms.size() == 4) { // todo detect if torsion or out-of-plane bending Vector3 a = m_molecule->atomPosition3d(selectedAtoms[0]); Vector3 b = m_molecule->atomPosition3d(selectedAtoms[1]); Vector3 c = m_molecule->atomPosition3d(selectedAtoms[2]); Vector3 d = m_molecule->atomPosition3d(selectedAtoms[3]); double dihedral = calculateDihedral(a, b, c, d); ui->editValue->setValue(dihedral); } } void ConstraintsDialog::changeType(int newType) { // disable B-C-D and enable what we need ui->editB->setEnabled(false); ui->editC->setEnabled(false); ui->editD->setEnabled(false); ui->editB->setMinimum(0); ui->editC->setMinimum(0); ui->editD->setMinimum(0); switch (newType) { case 2: // torsion ui->editD->setEnabled(true); ui->editD->setMinimum(1); case 1: // angle ui->editC->setEnabled(true); ui->editC->setMinimum(1); ui->editD->setValue(0); case 0: // distance ui->editB->setEnabled(true); ui->editB->setMinimum(1); ui->editC->setValue(0); ui->editD->setValue(0); } if (newType == 0) { ui->editValue->setSuffix("Å"); ui->editValue->setMinimum(0.0); ui->editValue->setMaximum(1000.0); ui->comboType->setCurrentIndex(0); } else if (newType == 1) { ui->editValue->setSuffix("°"); ui->editValue->setMinimum(0.0); ui->editValue->setMaximum(180.0); ui->comboType->setCurrentIndex(1); } else { ui->editValue->setSuffix("°"); ui->editValue->setMinimum(-180.0); ui->editValue->setMaximum(180.0); ui->comboType->setCurrentIndex(2); } } void ConstraintsDialog::acceptConstraints() { hide(); } void ConstraintsDialog::getConstraint() { if (m_molecule == nullptr || m_molecule == nullptr) return; // get the new constraints m_molecule->setConstraints(m_model->constraints()); m_molecule->emitChanged(Molecule::Constraints); } void ConstraintsDialog::deleteConstraint() { if (m_molecule == nullptr || m_molecule == nullptr) return; auto row = ui->constraintsTableView->currentIndex().row(); row = m_model->currentRow; if (!ui->constraintsTableView->selectionModel()->hasSelection()) return; m_model->deleteConstraint(row); // get the new constraints m_molecule->setConstraints(m_model->constraints()); m_molecule->emitChanged(Molecule::Constraints); } void ConstraintsDialog::addConstraint() { if (m_molecule == nullptr) return; // TODO: Check user input for sanity Constraint::Type type; switch (ui->comboType->currentIndex()) { case 1: type = Constraint::AngleConstraint; break; case 2: type = Constraint::TorsionConstraint; break; case 0: default: type = Constraint::DistanceConstraint; break; } double value = ui->editValue->value(); int atomIdA = ui->editA->value(); int atomIdB = ui->editB->value(); int atomIdC = ui->editC->value(); int atomIdD = ui->editD->value(); Index a, b, c, d; if (atomIdA < 1 || atomIdA > m_molecule->atomCount()) return; else a = atomIdA - 1; if (atomIdB < 1 || atomIdB > m_molecule->atomCount()) return; else b = atomIdB - 1; if (atomIdC < 1 || atomIdC > m_molecule->atomCount()) c = MaxIndex; else c = atomIdC - 1; if (atomIdD < 1 || atomIdD > m_molecule->atomCount()) d = MaxIndex; else d = atomIdD - 1; if (type == Constraint::DistanceConstraint) { if (a == b || value == 0.0) return; } else if (type == Constraint::AngleConstraint) { if (a == b || b == c) return; } else if (type == Constraint::TorsionConstraint) if (a == b || a == c || a == d || b == c || b == d || c == d) return; Constraint newConstraint(a, b, c, d, value); newConstraint.setType(type); m_molecule->addConstraint(newConstraint); m_model->addConstraint(type, a, b, c, d, value); m_molecule->emitChanged(Molecule::Constraints); } void ConstraintsDialog::deleteAllConstraints() { if (m_molecule == nullptr) return; m_molecule->clearConstraints(); m_molecule->emitChanged(Molecule::Constraints); // update the model m_model->clear(); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsdialog.h000066400000000000000000000024541516317240700315760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONSTRAINTSDIALOG_H #define AVOGADRO_QTPLUGINS_CONSTRAINTSDIALOG_H #include "constraintsmodel.h" #include namespace Avogadro { namespace QtPlugins { namespace Ui { class ConstraintsDialog; } class ConstraintsDialog : public QDialog { Q_OBJECT public: explicit ConstraintsDialog(QWidget* parent_ = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~ConstraintsDialog() override; void setMolecule(QtGui::Molecule* molecule); public slots: void acceptConstraints(); void addConstraint(); void getConstraint(); void deleteConstraint(); void deleteAllConstraints(); void highlightSelected(const QModelIndex& newIndex, const QModelIndex& oldIndex); void changeType(int type); void updateConstraints(); private: Ui::ConstraintsDialog* ui; ConstraintsModel* m_model; QtGui::Molecule* m_molecule = nullptr; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONSTRAINTSDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsdialog.ui000066400000000000000000000153301516317240700317610ustar00rootroot00000000000000 Avogadro::QtPlugins::ConstraintsDialog 0 0 441 446 Constraints Qt::ScrollBarAlwaysOff QAbstractScrollArea::AdjustIgnored QAbstractItemView::SelectRows Add Constraints 40 16777215 Type: 0 Distance Angle Torsion Angle Atom Indices: 999 999 999 999 Value: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter Å 3 105.989999999999995 Add Qt::Vertical 20 40 Options Qt::Horizontal 40 20 0 0 100 0 Get Constraint 0 0 100 0 Delete Selected Delete All OK OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsextension.cpp000066400000000000000000000032441516317240700327040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "constraintsextension.h" #include "constraintsdialog.h" #include "constraintsmodel.h" #include #include #include #include namespace Avogadro { namespace QtPlugins { ConstraintsExtension::ConstraintsExtension(QObject* p) : ExtensionPlugin(p) { QAction* action = new QAction(this); action->setEnabled(true); action->setText(tr("Constraints…")); connect(action, SIGNAL(triggered()), SLOT(openDialog())); m_actions.push_back(action); } ConstraintsExtension::~ConstraintsExtension() { if (m_dialog) m_dialog->deleteLater(); } QList ConstraintsExtension::actions() const { return m_actions; } QStringList ConstraintsExtension::menuPath(QAction*) const { return QStringList() << tr("&Extensions") << tr("&Calculate"); } void ConstraintsExtension::openDialog() { if (m_dialog == nullptr) { m_dialog = new ConstraintsDialog(qobject_cast(parent())); } // update the constraints before we show the dialog if (m_molecule != nullptr) m_dialog->setMolecule(m_molecule); m_dialog->updateConstraints(); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } void ConstraintsExtension::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) { m_molecule = mol; } if (m_dialog != nullptr) m_dialog->setMolecule(mol); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsextension.h000066400000000000000000000024441516317240700323520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONSTRAINTS_H #define AVOGADRO_QTPLUGINS_CONSTRAINTS_H #include #include #include class QAction; namespace Avogadro { namespace QtPlugins { class ConstraintsDialog; class ConstraintsExtension : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ConstraintsExtension(QObject* parent = nullptr); ~ConstraintsExtension() override; QString name() const override { return tr("Constraints"); } QString description() const override { return tr("Set constraints for geometry optimizations"); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; private slots: void openDialog(); private: QList m_actions; QtGui::Molecule* m_molecule = nullptr; ConstraintsDialog* m_dialog = nullptr; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONSTRAINTS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsmodel.cpp000066400000000000000000000117151516317240700317720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "constraintsmodel.h" #include #include using namespace std; namespace Avogadro { using Core::Constraint; namespace QtPlugins { void ConstraintsModel::emitDataChanged() { emit dataChanged(QModelIndex(), QModelIndex()); } void ConstraintsModel::setConstraints( const std::vector& constraints) { beginResetModel(); m_constraints = constraints; endResetModel(); } int ConstraintsModel::rowCount(const QModelIndex&) const { return m_constraints.size(); } int ConstraintsModel::columnCount(const QModelIndex&) const { // Type, value, atom 1, 2, 3, 4 return 6; } QVariant ConstraintsModel::data(const QModelIndex& index, int role) const { if (!index.isValid()) return QVariant(); if (index.row() >= m_constraints.size()) return QVariant(); Constraint currentConstraint = m_constraints[index.row()]; Index aIndex = currentConstraint.aIndex(); Index bIndex = currentConstraint.bIndex(); Index cIndex = currentConstraint.cIndex(); Index dIndex = currentConstraint.dIndex(); if (role == Qt::DisplayRole || role == Qt::UserRole) switch (index.column()) { case 0: if (currentConstraint.type() == 1) return tr("Distance"); else if (currentConstraint.type() == 2) return tr("Angle"); else if (currentConstraint.type() == 3) return tr("Torsion Angle"); // these aren't really implemented in the UI yet // but we're saving the strings for translation else if (currentConstraint.type() == 4) return tr("Freeze Atom", "fix / remain constant"); else if (currentConstraint.type() == 5) return tr("Freeze X Axis", "fix / remain constant"); else if (currentConstraint.type() == 6) return tr("Freeze Y Axis", "fix / remain constant"); else if (currentConstraint.type() == 7) return tr("Freeze Z Axis", "fix / remain constant"); break; case 1: // TODO handle fixed-length number and sorting if (role == Qt::UserRole) return currentConstraint.value(); if (currentConstraint.type() == 1) return QString("%L1 Å").arg(currentConstraint.value(), 0, 'f', 3); else if (currentConstraint.type() == 2 || currentConstraint.type() == 3) return QString("%L1 °").arg(currentConstraint.value(), 0, 'f', 3); else return "--"; break; case 2: if (aIndex != MaxIndex) return QVariant(static_cast(aIndex) + 1); else return "--"; break; case 3: if (bIndex != MaxIndex) return QVariant(static_cast(bIndex) + 1); else return "--"; break; case 4: if (cIndex != MaxIndex) return QVariant(static_cast(cIndex) + 1); else return "--"; break; case 5: if (dIndex != MaxIndex) return QVariant(static_cast(dIndex) + 1); else return "--"; break; } return QVariant(); } QVariant ConstraintsModel::headerData(int section, Qt::Orientation orientation, int role) const { if (role != Qt::DisplayRole) return QVariant(); if (orientation == Qt::Horizontal) { switch (section) { case 0: return tr("Type"); break; case 1: return tr("Value"); break; case 2: return tr("Atom 1"); break; case 3: return tr("Atom 2"); break; case 4: return tr("Atom 3"); break; case 5: return tr("Atom 4"); break; } } return section + 1; } void ConstraintsModel::addConstraint(int type, int a, int b, int c, int d, double value) { beginInsertRows(QModelIndex(), m_constraints.size(), m_constraints.size()); m_constraints.push_back(Constraint(a, b, c, d, value)); endInsertRows(); } void ConstraintsModel::clear() { if (m_constraints.size()) { beginRemoveRows(QModelIndex(), 0, m_constraints.size() - 1); m_constraints.clear(); endRemoveRows(); } } void ConstraintsModel::deleteConstraint(int index) { if (m_constraints.size() && (index >= 0)) { beginRemoveRows(QModelIndex(), index, index); auto position = m_constraints.begin() + index; m_constraints.erase(position); endRemoveRows(); } } Core::Constraint ConstraintsModel::constraint(int index) { if (index < 0 || index >= m_constraints.size()) return Constraint(MaxIndex, MaxIndex, MaxIndex, MaxIndex, 0.0); else return m_constraints[index]; } } // namespace QtPlugins } // end namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/constraints/constraintsmodel.h000066400000000000000000000030511516317240700314310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef CONSTRAINTSMODEL_H #define CONSTRAINTSMODEL_H #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class ConstraintsModel : public QAbstractTableModel { Q_OBJECT public: ConstraintsModel() : QAbstractTableModel() {} int rowCount(const QModelIndex& parent = QModelIndex()) const override; int columnCount(const QModelIndex& parent = QModelIndex()) const override; QVariant data(const QModelIndex& index, int role) const override; QVariant headerData(int section, Qt::Orientation orientation, int role = Qt::DisplayRole) const override; void clear(); Core::Constraint constraint(int index); std::vector constraints() { return m_constraints; } void addConstraint(int type, int a, int b, int c, int d, double value); void deleteConstraint(int index); void setConstraints(const std::vector& constraints); int currentRow = -1; public slots: void emitDataChanged(); private: std::vector m_constraints; }; // ConstraintsModel } // namespace QtPlugins } // end namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/000077500000000000000000000000001516317240700266605ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/CMakeLists.txt000066400000000000000000000003741516317240700314240ustar00rootroot00000000000000avogadro_plugin(CoordinateEditor "Show a window with a free-text coordinate editor." ExtensionPlugin coordinateeditor.h CoordinateEditor "coordinateeditor.cpp;coordinateeditordialog.cpp;coordinatetextedit.cpp" "coordinateeditordialog.ui" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinateeditor.cpp000066400000000000000000000031231516317240700327210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinateeditor.h" #include "coordinateeditordialog.h" #include namespace Avogadro::QtPlugins { CoordinateEditor::CoordinateEditor(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_dialog(nullptr), m_molecule(nullptr), m_action(new QAction(tr("Atomic &Coordinate Editor…"), this)) { m_action->setProperty("menu priority", 900); connect(m_action, SIGNAL(triggered()), SLOT(triggered())); } CoordinateEditor::~CoordinateEditor() {} QList CoordinateEditor::actions() const { return QList() << m_action; } QStringList CoordinateEditor::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void CoordinateEditor::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; if (m_dialog) m_dialog->setMolecule(mol); } void CoordinateEditor::triggered() { if (!m_dialog) { m_dialog = new CoordinateEditorDialog(qobject_cast(parent())); m_dialog->setMolecule(m_molecule); connect(m_dialog, SIGNAL(pastedMolecule()), SLOT(pastedMolecule())); } m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } void CoordinateEditor::pastedMolecule() { // We went from no atoms to something, don't edit by default // PR#394 requestActiveTool("Navigator"); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinateeditor.h000066400000000000000000000026241516317240700323730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COORDINATEEDITOR_H #define AVOGADRO_QTPLUGINS_COORDINATEEDITOR_H #include #include namespace Avogadro { namespace QtPlugins { class CoordinateEditorDialog; /** * @brief CoordinateEditor implements the plugin interface for the coordinate * editor extension. */ class CoordinateEditor : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit CoordinateEditor(QObject* parent_ = nullptr); ~CoordinateEditor() override; QString name() const override { return tr("Coordinate editor"); } QString description() const override { return tr("Text editing of atomic coordinates."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void triggered(); void pastedMolecule(); private: CoordinateEditorDialog* m_dialog; QtGui::Molecule* m_molecule; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COORDINATEEDITOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.cpp000066400000000000000000000651221516317240700341100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinateeditordialog.h" #include "coordinatetextedit.h" #include "ui_coordinateeditordialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include // Define this to print out details of the format detection algorithm. #undef ENABLE_FORMAT_DEBUG #ifdef ENABLE_FORMAT_DEBUG #define FORMAT_DEBUG(x) x #else // ENABLE_FORMAT_DEBUG #define FORMAT_DEBUG(x) #endif // ENABLE_FORMAT_DEBUG using Avogadro::Vector3; using Avogadro::Core::Elements; using Avogadro::QtGui::Molecule; namespace { // Ensure a cross-platform monospaced font #if defined(Q_OS_WIN) || defined(Q_OS_MACOS) static const QString EDITOR_FONT = "Courier"; #else // Linux and other OSes static const QString EDITOR_FONT = "Monospace"; #endif // Various integer constants. enum { CustomPreset = 0 }; // Distance unit indices -- keep in sync with the .ui file. enum DistanceUnitIndex { Angstrom = 0, Bohr }; // Types of tokens, used while parsing. enum TokenType { Integer = 0, Double, String }; // Some frequently used regexes: static const QRegularExpression TOKEN_SEPARATOR("[\\s,;]+"); static const QRegularExpression VALID_TOKEN("[^\\s,;]+"); // These two need to be exact static const QRegularExpression INT_CHECKER( QRegularExpression::anchoredPattern("(:?[+-])?\\d+")); static const QRegularExpression DOUBLE_CHECKER( QRegularExpression::anchoredPattern( "(:?[+-])?" // Leading sign "(:?" // Must match one of the following: "\\d*\\.\\d*" // Fractional part "|" // or "\\d+[Ee](:?[+-])?\\d+" // Exponential part "|" // or "\\d*\\.\\d*" // Fractional part and "[Ee](:?[+-])?\\d+" // Exponential part ")")); struct AtomStruct { unsigned char atomicNumber; Vector3 pos; }; } // namespace namespace Avogadro::QtPlugins { // Storage class used to hold state while validating input. class CoordinateEditorDialog::ValidateStorage { public: ValidateStorage() : isValidating(false), restartWhenFinished(false), collectAtoms(false), convertDistance(false), latticePositions(false), distanceConversion(1.f) { } bool isValidating; bool restartWhenFinished; bool collectAtoms; bool convertDistance; bool latticePositions; float distanceConversion; // Format specification QString spec; // Text cursors QTextCursor lineCursor; QTextCursor tokenCursor; // Accumulate atom data QVector atoms; }; CoordinateEditorDialog::CoordinateEditorDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::CoordinateEditorDialog), m_molecule(nullptr), m_validate(new ValidateStorage), m_defaultSpec("SZxyz#N") { m_ui->setupUi(this); // Set up text editor m_ui->text->setFont(QFont(EDITOR_FONT, qApp->font().pointSize())); connect(m_ui->text->document(), SIGNAL(modificationChanged(bool)), SLOT(textModified(bool))); // Setup spec edit QRegularExpression specRegExp("[#ZGSLNabcxyz01_]*"); auto* specValidator = new QRegularExpressionValidator(specRegExp, this); m_ui->spec->setValidator(specValidator); connect(m_ui->presets, SIGNAL(currentIndexChanged(int)), SLOT(presetChanged(int))); connect(m_ui->spec, SIGNAL(textChanged(QString)), SLOT(specChanged())); connect(m_ui->spec, SIGNAL(textEdited(QString)), SLOT(specEdited())); connect(m_ui->distanceUnit, SIGNAL(currentIndexChanged(int)), SLOT(updateText())); connect(m_ui->help, SIGNAL(clicked()), SLOT(helpClicked())); connect(m_ui->cut, SIGNAL(clicked()), SLOT(cutClicked())); connect(m_ui->copy, SIGNAL(clicked()), SLOT(copyClicked())); connect(m_ui->paste, SIGNAL(clicked()), SLOT(pasteClicked())); connect(m_ui->revert, SIGNAL(clicked()), SLOT(revertClicked())); connect(m_ui->clear, SIGNAL(clicked()), SLOT(clearClicked())); connect(m_ui->apply, SIGNAL(clicked()), SLOT(applyClicked())); m_ui->cut->setIcon(QIcon::fromTheme("edit-cut")); m_ui->copy->setIcon(QIcon::fromTheme("edit-copy")); m_ui->paste->setIcon(QIcon::fromTheme("edit-paste")); buildPresets(); listenForTextEditChanges(true); } CoordinateEditorDialog::~CoordinateEditorDialog() { delete m_ui; } void CoordinateEditorDialog::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) { if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateText(); } } void CoordinateEditorDialog::moleculeChanged(uint change) { if (static_cast(change) & Molecule::Atoms || static_cast(change) & Molecule::UnitCell) { updateText(); } } void CoordinateEditorDialog::presetChanged(int ind) { QVariant itemData(m_ui->presets->itemData(ind)); bool isCustom(itemData.type() != QVariant::String); // Changing the spec text will update the editor text. m_ui->spec->setText(isCustom ? m_defaultSpec : itemData.toString()); } void CoordinateEditorDialog::specChanged() { // Store the spec if custom preset is selected. if (m_ui->presets->currentIndex() == CustomPreset) m_defaultSpec = m_ui->spec->text(); updateText(); } void CoordinateEditorDialog::specEdited() { // Editing the spec switches to and updates the custom preset. if (m_ui->presets->currentIndex() != CustomPreset) { m_defaultSpec = m_ui->spec->text(); m_ui->presets->setCurrentIndex(CustomPreset); } } void CoordinateEditorDialog::updateText() { if (m_ui->text->document()->isModified()) { int reply = QMessageBox::question( this, tr("Overwrite changes?"), tr("The text document has been modified. Would " "you like to discard your changes and revert " "to the current molecule?"), QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } Core::CoordinateBlockGenerator gen; gen.setMolecule(m_molecule); gen.setSpecification(m_ui->spec->text().toStdString()); switch (m_ui->distanceUnit->currentIndex()) { default: case Angstrom: gen.setDistanceUnit(Core::CoordinateBlockGenerator::Angstrom); break; case Bohr: gen.setDistanceUnit(Core::CoordinateBlockGenerator::Bohr); break; } // Disable markup for the generated text. listenForTextEditChanges(false); m_ui->text->document()->setPlainText( QString::fromStdString(gen.generateCoordinateBlock())); listenForTextEditChanges(true); m_ui->text->document()->setModified(false); } void CoordinateEditorDialog::helpClicked() { // Give the spec lineedit focus and show its tooltip. m_ui->spec->setFocus(Qt::MouseFocusReason); QPoint point(m_ui->spec->pos() + pos()); point.setY(point.y() + m_ui->spec->frameGeometry().height() + 5); QToolTip::showText(point, m_ui->spec->toolTip(), m_ui->spec); } void CoordinateEditorDialog::validateInput() { if (m_validate->isValidating) { m_validate->restartWhenFinished = true; return; } // Reset formatting. Stop listening for changes since format changes will // retrigger validation. listenForTextEditChanges(false); m_ui->text->resetMarks(); listenForTextEditChanges(true); // No text, nothing to do! Trim the plain text - this fixes a crashing // bug if the user accidentally presses return in a blank document. if (m_ui->text->document()->toPlainText().trimmed().isEmpty()) { emit validationFinished(true); return; } // Try to detect the input format QString inputFormat(detectInputFormat()); if (inputFormat.isEmpty()) { emit validationFinished(false); return; } // Initialize m_validate->latticePositions = inputFormat.contains('a'); m_validate->isValidating = true; m_validate->spec = inputFormat; m_validate->lineCursor = QTextCursor(m_ui->text->document()); // Start the worker validateInputWorker(); } void CoordinateEditorDialog::validateInputWorker() { if (!m_validate->isValidating) return; // Disable revalidation due to formatting changes. listenForTextEditChanges(false); // Setup some aliases to keep code concise: const QString& spec(m_validate->spec); QTextCursor& lineCursor(m_validate->lineCursor); QTextCursor& tokenCursor(m_validate->tokenCursor); QTextDocument* doc(m_ui->text->document()); QString::const_iterator begin(spec.constBegin()); QString::const_iterator end(spec.constEnd()); QString::const_iterator iter; // Only do a few lines at a time, then return control to the event loop. int lineThisIteration = 0; while (++lineThisIteration <= 10 && !lineCursor.atEnd()) { // Place the entire line in the line cursor's selection. lineCursor.movePosition(QTextCursor::StartOfLine, QTextCursor::MoveAnchor); lineCursor.movePosition(QTextCursor::EndOfLine, QTextCursor::KeepAnchor); // Skip empty lines - this is nice if the user accidentally left some // empty lines at the end of the input if (lineCursor.selectedText().trimmed().isEmpty()) { // So that we don't have an infinite loop... if (!lineCursor.atEnd()) { lineCursor.movePosition(QTextCursor::Down); lineCursor.movePosition(QTextCursor::StartOfLine); } continue; } // Start the token cursor at the beginning of the current line. tokenCursor.setPosition(lineCursor.anchor(), QTextCursor::MoveAnchor); // This is used when applying changes to store the atom specifications. AtomStruct atom; // Iterate through spec characters for (iter = begin; iter != end; ++iter) { // Place the next valid token in tokenCursor's selection: tokenCursor = doc->find(VALID_TOKEN, tokenCursor); // If the token cursor has moved off of the current line, mark the entire // line as invalid and move on. if (tokenCursor.isNull() || tokenCursor.position() > lineCursor.position()) { m_ui->text->markInvalid(lineCursor, tr("Too few entries on line.")); break; } switch (iter->toLatin1()) { case '?': // Nothing to validate other than that this is a valid token. break; case 'N': { // Validate name: QString cleanToken(tokenCursor.selectedText().toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); std::string tokenStd(cleanToken.toStdString()); atom.atomicNumber = Elements::atomicNumberFromName(tokenStd); if (atom.atomicNumber == Avogadro::InvalidElement) m_ui->text->markInvalid(tokenCursor, tr("Invalid element name.")); else m_ui->text->markValid(tokenCursor, tr("Element name.")); break; } case 'S': { // Validate symbol: QString cleanToken(tokenCursor.selectedText().toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); std::string tokenStd(cleanToken.toStdString()); atom.atomicNumber = Elements::atomicNumberFromSymbol(tokenStd); if (atom.atomicNumber == Avogadro::InvalidElement) m_ui->text->markInvalid(tokenCursor, tr("Invalid element symbol.")); else m_ui->text->markValid(tokenCursor, tr("Element symbol.")); break; } case 'L': { // Validate label (symbol + number) QString cleanToken(tokenCursor.selectedText().toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); // Split the label into symbol and number QRegularExpression labelSplitter("([A-Z][a-z]?)(\\d+)"); QRegularExpressionMatch match = labelSplitter.match(cleanToken); if (match.hasMatch()) { m_ui->text->markInvalid(tokenCursor, tr("Invalid atom label.")); break; } // check the symbol std::string tokenStd(match.captured(1).toStdString()); atom.atomicNumber = Elements::atomicNumberFromSymbol(tokenStd); if (atom.atomicNumber == Avogadro::InvalidElement) m_ui->text->markInvalid(tokenCursor, tr("Invalid element symbol.")); else m_ui->text->markValid(tokenCursor, tr("Element symbol.")); break; } case '#': { // Validate integer: bool isInt; [[maybe_unused]] int index = tokenCursor.selectedText().toInt(&isInt); if (!isInt) m_ui->text->markInvalid(tokenCursor, tr("Invalid atomic index.")); else m_ui->text->markValid(tokenCursor, tr("Atomic index.")); break; } case 'Z': { // Validate integer: bool isInt; atom.atomicNumber = static_cast( tokenCursor.selectedText().toInt(&isInt)); if (!isInt) m_ui->text->markInvalid(tokenCursor, tr("Invalid atomic number.")); else m_ui->text->markValid(tokenCursor, tr("Atomic number.")); break; } case 'x': { // Validate real: bool isReal; atom.pos.x() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("X coordinate.")); break; } case 'y': { // Validate real: bool isReal; atom.pos.y() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("Y coordinate.")); break; } case 'z': { // Validate real: bool isReal; atom.pos.z() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("Z coordinate.")); break; } case 'a': { // Validate real: bool isReal; atom.pos.x() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("'a' lattice coordinate.")); break; } case 'b': { // Validate real: bool isReal; atom.pos.y() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("'b' lattice coordinate.")); break; } case 'c': { // Validate real: bool isReal; atom.pos.z() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("'c' lattice coordinate.")); break; } default: qWarning() << "Unhandled character in detected spec: " << *iter; break; } } // Store this atom info if collecting. if (m_validate->collectAtoms) { if (m_validate->convertDistance && !m_validate->latticePositions) atom.pos *= m_validate->distanceConversion; m_validate->atoms << atom; } // Move down to the next line if we are not at the end. Moving to the // start of the line after moving down is necessary in case moving down // puts us at the end of the document. if (!lineCursor.atEnd()) { lineCursor.movePosition(QTextCursor::Down); lineCursor.movePosition(QTextCursor::StartOfLine); } } // Reenable validation. listenForTextEditChanges(true); // If we're not at the end, post this method back into the event loop. if (!lineCursor.atEnd()) { QTimer::singleShot(0, this, SLOT(validateInputWorker())); } else { // Otherwise emit the finished signal. emit validationFinished(!m_ui->text->hasInvalidMarks()); m_validate->isValidating = false; // If a validation request came in while already validating, revalidate. if (m_validate->restartWhenFinished) { m_validate->restartWhenFinished = false; validateInput(); } } } void CoordinateEditorDialog::applyClicked() { if (!m_molecule) return; // If we're in the middle of a validation, abort it if (m_validate->isValidating) { m_validate->isValidating = false; qApp->processEvents(); } m_validate->collectAtoms = true; m_validate->atoms.clear(); switch (m_ui->distanceUnit->currentIndex()) { case Bohr: m_validate->convertDistance = true; m_validate->distanceConversion = BOHR_TO_ANGSTROM_F; break; default: m_validate->convertDistance = false; m_validate->distanceConversion = 1.f; break; } connect(this, SIGNAL(validationFinished(bool)), SLOT(applyFinish(bool))); validateInput(); } void CoordinateEditorDialog::applyFinish(bool valid) { // Clean up m_validate->collectAtoms = false; QVector atoms(m_validate->atoms); m_validate->atoms.clear(); disconnect(this, SIGNAL(validationFinished(bool)), this, SLOT(applyFinish(bool))); if (!valid) { QMessageBox::critical(this, tr("Error applying geometry"), tr("Could not parse geometry specification. Fix the " "highlighted errors and try again.\n\n" "(Hint: Hold the mouse over red text for a " "description of the error.)")); return; } bool hadAtoms(m_molecule->atomCount() > 0); bool hadBonds(m_molecule->bondCount() > 0); // Create a new molecule so we can eventually store both in the undo command Molecule newMolecule = *m_molecule; newMolecule.clearAtoms(); foreach (const AtomStruct& atom, atoms) newMolecule.addAtom(atom.atomicNumber).setPosition3d(atom.pos); if (m_validate->latticePositions) { Core::CrystalTools::setFractionalCoordinates(newMolecule, newMolecule.atomPositions3d()); } else { newMolecule.perceiveBondsSimple(); newMolecule.perceiveBondOrders(); } m_ui->text->document()->setModified(false); Molecule::MoleculeChanges change = Molecule::NoChange; if (hadAtoms) change |= Molecule::Atoms | Molecule::Removed; if (hadBonds) change |= Molecule::Bonds | Molecule::Removed; if (newMolecule.atomCount() > 0) change |= Molecule::Atoms | Molecule::Added; if (newMolecule.bondCount() > 0) change |= Molecule::Bonds | Molecule::Added; QString undoText = tr("Edit Atomic Coordinates"); m_molecule->undoMolecule()->modifyMolecule(newMolecule, change, undoText); // We went from no atoms to something, don't edit by default // PR#394 if (!hadAtoms) emit pastedMolecule(); } void CoordinateEditorDialog::textModified(bool modified) { m_ui->apply->setEnabled(modified); m_ui->revert->setEnabled(modified); } void CoordinateEditorDialog::buildPresets() { // Custom must be first: m_ui->presets->addItem(tr("Custom"), QVariant()); m_ui->presets->addItem(tr("XYZ format (symbols)"), QVariant("Sxyz")); m_ui->presets->addItem(tr("XYZ format (names)"), QVariant("Nxyz")); m_ui->presets->addItem(tr("XYZ format (atomic numbers)"), QVariant("Zxyz")); m_ui->presets->addItem(tr("Lattice coordinates (symbols)"), QVariant("Sabc")); m_ui->presets->addItem(tr("Lattice coordinates (names)"), QVariant("Nabc")); m_ui->presets->addItem(tr("Lattice coordinates (atomic numbers)"), QVariant("Zabc")); m_ui->presets->addItem(tr("GAMESS format (symbols)"), QVariant("SGxyz")); m_ui->presets->addItem(tr("GAMESS format (names)"), QVariant("NGxyz")); m_ui->presets->addItem(tr("Turbomole format"), QVariant("xyzS")); // show Sxyz initially m_ui->presets->setCurrentIndex(1); } void CoordinateEditorDialog::listenForTextEditChanges(bool enable) { if (enable) connect(m_ui->text, SIGNAL(textChanged()), this, SLOT(validateInput())); else disconnect(m_ui->text, SIGNAL(textChanged()), this, SLOT(validateInput())); } QString CoordinateEditorDialog::detectInputFormat() const { if (m_ui->text->document()->isEmpty()) return QString(); if (!m_ui->spec->text().isEmpty()) return m_ui->spec->text(); // Extract the first non-empty line of text from the document. QTextCursor cur(m_ui->text->document()); QString sample; while (sample.isEmpty()) { cur.movePosition(QTextCursor::StartOfLine, QTextCursor::MoveAnchor); cur.movePosition(QTextCursor::EndOfLine, QTextCursor::KeepAnchor); sample = cur.selectedText(); cur.movePosition(QTextCursor::Down); } FORMAT_DEBUG(qDebug() << "\n\nExamining sample:" << sample;) // Split the string into tokens, and identify the type of each. QList tokens(sample.split(TOKEN_SEPARATOR, Qt::SkipEmptyParts)); QList tokenTypes; tokenTypes.reserve(tokens.size()); size_t tokenTypeCounts[3] = { 0, 0, 0 }; foreach (const QString& token, tokens) { TokenType tokenType = String; if (INT_CHECKER.match(token).hasMatch()) tokenType = Integer; else if (DOUBLE_CHECKER.match(token).hasMatch()) tokenType = Double; ++tokenTypeCounts[tokenType]; tokenTypes << tokenType; } FORMAT_DEBUG(qDebug() << "\nDetected types:"; qDebug() << tokens; qDebug() << tokenTypes;); // If less than three doubles are present, promote some integers to doubles. if (tokenTypeCounts[Double] < 3 && tokenTypeCounts[Double] + tokenTypeCounts[Integer] >= 3) { // If numInts + numDoubles is greater than 3, leave the first integer as is, // we'll assume it's the atomic number. bool skipNextInt(tokenTypeCounts[Integer] + tokenTypeCounts[Double] > 3); size_t intsToPromote = 3 - tokenTypeCounts[Double]; QMutableListIterator tokenTypeIter(tokenTypes); while (intsToPromote > 0 && tokenTypeIter.hasNext()) { if (tokenTypeIter.next() == Integer) { if (!skipNextInt) { tokenTypeIter.setValue(Double); --intsToPromote; --tokenTypeCounts[Integer]; ++tokenTypeCounts[Double]; } else { skipNextInt = false; } } } } FORMAT_DEBUG(qDebug() << "\nAfter promotion:"; qDebug() << tokens; qDebug() << tokenTypes;) // If there are no strings or integers, bail out -- we can't determine the // atom types. Likewise if there are less than 3 doubles, the coordinates // are incomplete. if ((tokenTypeCounts[Integer] == 0 && tokenTypeCounts[String] == 0) || tokenTypeCounts[Double] < 3) { return ""; } // Start assigning meaning to the values: QString resultSpec; bool atomTypeSet(false); int numCoordsSet(0); const int numberOfElements(static_cast(Core::Elements::elementCount())); for (int i = 0; i < tokens.size() && (!atomTypeSet || numCoordsSet < 3); ++i) { QChar current = '?'; switch (tokenTypes[i]) { case Integer: if (!atomTypeSet) { int tokenAsInt = tokens[i].toInt(); if (tokenAsInt >= 0 && tokenAsInt <= numberOfElements) { current = 'Z'; atomTypeSet = true; } } break; case Double: switch (numCoordsSet) { case 0: current = 'x'; ++numCoordsSet; break; case 1: current = 'y'; ++numCoordsSet; break; case 2: current = 'z'; ++numCoordsSet; break; default: break; } break; case String: if (!atomTypeSet) { QString cleanToken(tokens[i].toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); if (cleanToken.size() <= 3) { if (Elements::atomicNumberFromSymbol(cleanToken.toStdString()) != Avogadro::InvalidElement) { current = 'S'; atomTypeSet = true; } } else { if (Elements::atomicNumberFromName(cleanToken.toStdString()) != Avogadro::InvalidElement) { current = 'N'; atomTypeSet = true; } } } break; } FORMAT_DEBUG(qDebug() << current << tokens[i];) resultSpec += current; } // Check the current specification -- if a|b|c appears before x|y|z, assume // that the specified coordinates are lattice coords static QRegularExpression cartesianSniffer("x|y|z"); static QRegularExpression fractionalSniffer("a|b|c"); const QString currentSpec(m_ui->spec->text()); int cartesianIndex = currentSpec.indexOf(cartesianSniffer); int fractionalIndex = currentSpec.indexOf(fractionalSniffer); if (fractionalIndex != -1 && (cartesianIndex == -1 || fractionalIndex < cartesianIndex)) { resultSpec.replace('x', 'a'); resultSpec.replace('y', 'b'); resultSpec.replace('z', 'c'); FORMAT_DEBUG(qDebug() << "Interpreting positions as lattice coordinates.";) } FORMAT_DEBUG(qDebug() << "Detected format:" << resultSpec); return (!atomTypeSet || numCoordsSet < 3) ? QString() : resultSpec; } void CoordinateEditorDialog::cutClicked() { copyClicked(); clearClicked(); } void CoordinateEditorDialog::copyClicked() { qApp->clipboard()->setText(m_ui->text->document()->toPlainText()); } void CoordinateEditorDialog::pasteClicked() { const QMimeData* mimeData = qApp->clipboard()->mimeData(); m_ui->text->document()->setPlainText( (mimeData && mimeData->hasText()) ? mimeData->text() : ""); } void CoordinateEditorDialog::revertClicked() { updateText(); } void CoordinateEditorDialog::clearClicked() { m_ui->text->document()->clear(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.h000066400000000000000000000035261516317240700335550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COORDINATEEDITORDIALOG_H #define AVOGADRO_QTPLUGINS_COORDINATEEDITORDIALOG_H #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class CoordinateEditorDialog; } /** * @brief The CoordinateEditorDialog class implements a free-text coordinate * editor. */ class CoordinateEditorDialog : public QDialog { Q_OBJECT public: explicit CoordinateEditorDialog(QWidget* parent_ = nullptr); ~CoordinateEditorDialog() override; void setMolecule(QtGui::Molecule* mol); signals: void validationFinished(bool valid); void pastedMolecule(); private slots: void moleculeChanged(uint); void presetChanged(int); void specChanged(); void specEdited(); void updateText(); void helpClicked(); void validateInput(); void validateInputWorker(); void cutClicked(); void copyClicked(); void pasteClicked(); void revertClicked(); void clearClicked(); void applyClicked(); void applyFinish(bool valid); void textModified(bool modified); private: void buildPresets(); // Enable/disable input validation when the text edit is modified. void listenForTextEditChanges(bool enable); QString detectInputFormat() const; Ui::CoordinateEditorDialog* m_ui; QtGui::Molecule* m_molecule; // State storage for validateInput methods. PIMPL'd for organization. class ValidateStorage; ValidateStorage* m_validate; QString m_defaultSpec; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COORDINATEEDITORDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui000066400000000000000000000150211516317240700337340ustar00rootroot00000000000000 Avogadro::QtPlugins::CoordinateEditorDialog 0 0 500 400 Coordinate Editor Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Preset: presets Distance Unit: distanceUnit Angstrom Bohr Format: spec <html><head/><body><p>Specification of format. Each character indicates a value to write per atom:</p><p><span style=" font-weight:600;">#</span> - Atom index (1, 2, ..., numAtoms)<br/><span style=" font-weight:600;">Z</span> - Atomic number (e.g. &quot;6&quot; for carbon)<br/><span style=" font-weight:600;">G</span> - GAMESS-style atomic number (e.g. &quot;6.0&quot; for carbon)<br/><span style=" font-weight:600;">N</span> - Element name (e.g. &quot;Carbon&quot;)<br/><span style=" font-weight:600;">S</span> - Element symbol (e.g. &quot;C&quot; for carbon)<br/><span style=" font-weight:700;">L</span> - Atom label (e.g., &quot;C2&quot; for second carbon atom, &quot;H1&quot; for first hydrogen) <br/><span style=" font-weight:600;">x</span> - X position coordinate<br/><span style=" font-weight:600;">y</span> - Y position coordinate<br/><span style=" font-weight:600;">z</span> - Z position coordinate<br/><span style=" font-weight:600;">a</span> - 'a' lattice coordinate (crystals only)<br/><span style=" font-weight:600;">b</span> - 'b' lattice coordinate (crystals only)<br/><span style=" font-weight:600;">c</span> - 'c' lattice coordinate (crystals only)<br/><span style=" font-weight:600;">_</span> - A literal space (&quot; &quot;), useful for alignment<br/><span style=" font-weight:600;">0</span> - A literal 0 (&quot;0&quot;), useful for optimization flags<br/><span style=" font-weight:600;">1</span> - A literal 1 (&quot;1&quot;), useful for optimization flags<br/></p></body></html> Help… QTextEdit::NoWrap Cut Copy Paste Qt::Horizontal 40 20 Revert Clear Apply Avogadro::QtPlugins::CoordinateTextEdit QTextEdit
coordinatetextedit.h
 presets spec help distanceUnit text cut copy paste revert clear apply OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinatetextedit.cpp000066400000000000000000000052331516317240700332710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinatetextedit.h" #include #include #include #include #include namespace Avogadro::QtPlugins { CoordinateTextEdit::CoordinateTextEdit(QWidget* p) : QTextEdit(p), m_hasInvalidMarks(false) { setMouseTracking(true); m_unmarkedFormat.setUnderlineStyle(QTextCharFormat::NoUnderline); m_unmarkedFormat.setForeground(qApp->palette().color(QPalette::WindowText)); m_unmarkedFormat.setBackground(qApp->palette().color(QPalette::Base)); m_invalidFormat.setUnderlineStyle(QTextCharFormat::SpellCheckUnderline); m_invalidFormat.setForeground(Qt::darkRed); m_invalidFormat.setBackground(Qt::lightGray); m_validFormat.setUnderlineStyle(QTextCharFormat::NoUnderline); m_validFormat.setForeground(Qt::darkGreen); } void CoordinateTextEdit::resetMarks() { m_hasInvalidMarks = false; m_marks.clear(); if (!document()->isEmpty()) { QTextCursor cur(document()); cur.movePosition(QTextCursor::End, QTextCursor::KeepAnchor); cur.mergeCharFormat(m_unmarkedFormat); } } void CoordinateTextEdit::markInvalid(QTextCursor& cur, const QString& tooltip) { m_hasInvalidMarks = true; cur.mergeCharFormat(m_invalidFormat); m_marks.append(Mark(cur.anchor(), cur.position(), tooltip)); } void CoordinateTextEdit::markValid(QTextCursor& cur, const QString& tooltip) { cur.mergeCharFormat(m_validFormat); m_marks.append(Mark(cur.anchor(), cur.position(), tooltip)); } bool CoordinateTextEdit::event(QEvent* e) { if (e->type() == QEvent::ToolTip) { auto* helpEvent = static_cast(e); showToolTip(helpEvent); return true; } return QTextEdit::event(e); } void CoordinateTextEdit::showToolTip(QHelpEvent* e) const { int position(cursorForPosition(e->pos()).position()); bool handled(false); if (position >= 0) { // Iterate backwards -- this ensures that "line too short" errors are shown // instead of the token-specific messages in that line. QListIterator iter(m_marks); iter.toBack(); while (iter.hasPrevious()) { const Mark& mark = iter.previous(); if (mark.contains(position)) { QToolTip::showText(e->globalPos(), mark.tooltip); handled = true; break; } } } if (!handled) { QToolTip::hideText(); e->ignore(); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/coordinateeditor/coordinatetextedit.h000066400000000000000000000030261516317240700327340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COORDINATETEXTEDIT_H #define AVOGADRO_QTPLUGINS_COORDINATETEXTEDIT_H #include #include class QHelpEvent; namespace Avogadro { namespace QtPlugins { /** * @brief The CoordinateTextEdit class extends QTextEdit to provide context * tooltips and highlighting for syntax errors. */ class CoordinateTextEdit : public QTextEdit { Q_OBJECT public: explicit CoordinateTextEdit(QWidget* p = nullptr); bool hasInvalidMarks() const { return m_hasInvalidMarks; } public slots: void resetMarks(); void markInvalid(QTextCursor& cur, const QString& tooltip); void markValid(QTextCursor& cur, const QString& tooltip); protected: bool event(QEvent* e) override; private: void showToolTip(QHelpEvent* e) const; struct Mark { int start; int end; QString tooltip; Mark(int s, int e, const QString& t) : start(s), end(e), tooltip(t) {} bool contains(int i) const { return i >= start && i <= end; } }; QList m_marks; bool m_hasInvalidMarks; QTextCharFormat m_unmarkedFormat; QTextCharFormat m_invalidFormat; QTextCharFormat m_validFormat; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COORDINATETEXTEDIT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/copypaste/000077500000000000000000000000001516317240700253315ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/copypaste/CMakeLists.txt000066400000000000000000000002671516317240700300760ustar00rootroot00000000000000avogadro_plugin(CopyPaste "Interact with the clipboard." ExtensionPlugin copypaste.h CopyPaste "copypaste.cpp" "" ) target_link_libraries(CopyPaste PRIVATE Avogadro::IO) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/copypaste/copypaste.cpp000066400000000000000000000224151516317240700300500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "copypaste.h" #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using namespace Avogadro::QtGui; CopyPaste::CopyPaste(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_pastedFormat(nullptr), m_copyAction(new QAction(tr("Copy"), this)), // don't translate SMILES, InChI, or XYZ m_copySMILES(new QAction("SMILES", this)), m_copyInChI(new QAction("InChI", this)), m_copyXYZ(new QAction("XYZ", this)), m_cutAction(new QAction(tr("Cut"), this)), m_clearAction(new QAction(tr("Delete"), this)), m_pasteAction(new QAction(tr("&Paste"), this)) { m_cutAction->setShortcut(QKeySequence::Cut); m_cutAction->setIcon(QIcon::fromTheme("edit-cut")); m_cutAction->setProperty("menu priority", 560); connect(m_cutAction, SIGNAL(triggered()), SLOT(cut())); m_copyAction->setShortcut(QKeySequence::Copy); m_copyAction->setIcon(QIcon::fromTheme("edit-copy")); m_copyAction->setProperty("menu priority", 550); connect(m_copyAction, SIGNAL(triggered()), SLOT(copyCJSON())); m_copySMILES->setProperty("menu priority", 540); connect(m_copySMILES, SIGNAL(triggered()), SLOT(copySMILES())); m_copyInChI->setProperty("menu priority", 530); connect(m_copyInChI, SIGNAL(triggered()), SLOT(copyInChI())); m_copyXYZ->setProperty("menu priority", 520); connect(m_copyXYZ, SIGNAL(triggered()), SLOT(copyXYZ())); m_pasteAction->setShortcut(QKeySequence::Paste); m_pasteAction->setIcon(QIcon::fromTheme("edit-paste")); m_pasteAction->setProperty("menu priority", 510); connect(m_pasteAction, SIGNAL(triggered()), SLOT(paste())); m_clearAction->setShortcut(QKeySequence::Delete); m_clearAction->setIcon(QIcon::fromTheme("edit-delete")); m_clearAction->setProperty("menu priority", 500); connect(m_clearAction, SIGNAL(triggered()), SLOT(clear())); } CopyPaste::~CopyPaste() { delete m_pastedFormat; } QList CopyPaste::actions() const { QList result; return result << m_copyAction << m_copySMILES << m_copyInChI << m_copyXYZ << m_cutAction << m_pasteAction << m_clearAction; } QStringList CopyPaste::menuPath(QAction* action) const { if (action->text() != tr("SMILES") && action->text() != tr("InChI") && action->text() != tr("XYZ")) return QStringList() << tr("&Edit"); else return QStringList() << tr("&Edit") << tr("Copy As"); } void CopyPaste::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool CopyPaste::copyCJSON() { Io::CjsonFormat cjson; return copy(&cjson); } void CopyPaste::copySMILES() { Io::FileFormatManager& formats = Io::FileFormatManager::instance(); Io::FileFormat* format(formats.newFormatFromFileExtension("smi")); copy(format); delete format; } void CopyPaste::copyInChI() { Io::FileFormatManager& formats = Io::FileFormatManager::instance(); Io::FileFormat* format(formats.newFormatFromFileExtension("inchi")); copy(format); delete format; } void CopyPaste::copyXYZ() { Io::FileFormatManager& formats = Io::FileFormatManager::instance(); Io::FileFormat* format(formats.newFormatFromFileExtension("xyz")); copy(format); delete format; } bool CopyPaste::copy(Io::FileFormat* format) { if (m_molecule == nullptr || m_molecule->atomCount() == 0 || format == nullptr) return false; std::string output; QtGui::Molecule* copy = m_molecule; if (!m_molecule->isSelectionEmpty()) { // create a copy of the selected atoms only copy = new QtGui::Molecule(m_molecule->parent()); // go through the selected atoms and add them // make sure to track the new index std::vector atomIndex(m_molecule->atomCount(), 0); for (Index i = 0; i < m_molecule->atomCount(); ++i) if (m_molecule->atomSelected(i)) { auto a = copy->addAtom(m_molecule->atomicNumber(i)); a.setPosition3d(m_molecule->atomPosition3d(i)); // track the index atomIndex[i] = a.index(); } for (Index i = 0; i < m_molecule->bondCount(); ++i) { Core::Bond bond = m_molecule->bond(i); Index start = bond.atom1().index(); Index end = bond.atom2().index(); if (m_molecule->atomSelected(start) && m_molecule->atomSelected(start)) { copy->addBond(atomIndex[start], atomIndex[end], bond.order()); } } } if (!format->writeString(output, *copy)) { QMessageBox::warning( qobject_cast(this->parent()), tr("Error Clipping Molecule"), tr("Error generating clipboard data.") + "\n" + tr("Output format: %1\n%2", "file format") .arg(QString::fromStdString(m_pastedFormat->name())) .arg(QString::fromStdString(m_pastedFormat->description())) + "\n\n" + tr("Reader error:\n%1") .arg(QString::fromStdString(m_pastedFormat->error()))); return false; } QByteArray outputBA(output.c_str(), static_cast(output.length())); auto* mimeData(new QMimeData); std::vector mimeTypes(format->mimeTypes()); for (auto& mimeType : mimeTypes) mimeData->setData(QString::fromStdString(mimeType), outputBA); mimeData->setData("text/plain", outputBA); QApplication::clipboard()->setMimeData(mimeData); if (!m_molecule->isSelectionEmpty()) copy->deleteLater(); // don't leak our copy return true; } void CopyPaste::cut() { if (!copyCJSON()) return; if (m_molecule->isSelectionEmpty()) m_molecule->undoMolecule()->clearAtoms(); else { // Remove atoms from the largest to the smallest index // (that way, the index doesn't change) for (Index i = m_molecule->atomCount(); i > 0; --i) // atoms go from 0 to atomCount()-1 if (m_molecule->atomSelected(i - 1)) m_molecule->undoMolecule()->removeAtom(i - 1); } m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } void CopyPaste::clear() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; if (m_molecule->isSelectionEmpty()) m_molecule->undoMolecule()->clearAtoms(); else { // Remove atoms from the largest to the smallest index // (that way, the index doesn't change) for (Index i = m_molecule->atomCount(); i > 0; --i) { // atoms go from 0 to atomCount()-1 if (m_molecule->atomSelected(i - 1)) m_molecule->undoMolecule()->removeAtom(i - 1); } } m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } void CopyPaste::paste() { // Delete any old clipboard data. if (m_pastedFormat) { delete m_pastedFormat; m_pastedFormat = nullptr; m_pastedData.clear(); } if (!m_molecule) return; // nothing to do // make sure we clear the current selection for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->setAtomSelected(i, false); const QMimeData* mimeData(QApplication::clipboard()->mimeData()); if (!mimeData) { QMessageBox::warning(qobject_cast(this->parent()), tr("Error Pasting Molecule"), tr("Cannot paste molecule: Clipboard empty!")); return; } // Try to find a reader that can handle the available mime-types. Io::FileFormatManager& mgr = Io::FileFormatManager::instance(); QStringList mimeTypes(mimeData->formats()); Io::FileFormat::Operations ops(Io::FileFormat::Read | Io::FileFormat::String); foreach (const QString& mimeType, mimeTypes) { if ((m_pastedFormat = mgr.newFormatFromMimeType(mimeType.toStdString(), ops))) { m_pastedData = mimeData->data(mimeType); break; } } // No mime-type match, default to cjson. if (!m_pastedFormat && mimeData->hasText()) { m_pastedFormat = new Io::CjsonFormat; m_pastedData = mimeData->text().toLatin1(); } if (!m_pastedFormat) return; // we have a format, so try to insert the new bits into m_molecule Avogadro::QtGui::Molecule mol(m_molecule->parent()); bool success = m_pastedFormat->readString( std::string(m_pastedData.constData(), m_pastedData.size()), mol); if (!success) { QMessageBox::warning( qobject_cast(this->parent()), tr("Error Pasting Molecule"), tr("Error reading clipboard data.") + "\n" + tr("Detected format: %1\n%2", "file format description") .arg(QString::fromStdString(m_pastedFormat->name())) .arg(QString::fromStdString(m_pastedFormat->description())) + "\n\n" + tr("Reader error:\n%1") .arg(QString::fromStdString(m_pastedFormat->error()))); } // insert mol into m_molecule m_molecule->undoMolecule()->appendMolecule(mol, "Paste Molecule"); emit requestActiveTool("Manipulator"); delete m_pastedFormat; m_pastedFormat = nullptr; m_pastedData.clear(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/copypaste/copypaste.h000066400000000000000000000034021516317240700275100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COPYPASTE_H #define AVOGADRO_QTPLUGINS_COPYPASTE_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { /** * @brief The CopyPaste class allows interaction with the system clipboard. */ class CopyPaste : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit CopyPaste(QObject* parent_ = nullptr); ~CopyPaste() override; QString name() const override { return tr("Copy and paste"); } QString description() const override { return tr("Interact with the clipboard."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: bool copy( Io::FileFormat* format); // returns bool so cut can reuse implementation. bool copyCJSON(); void copySMILES(); void copyInChI(); void copyXYZ(); void cut(); void paste(); void clear(); private: // Cached between emitting moleculeReady() and calling readMolecule(). QByteArray m_pastedData; Io::FileFormat* m_pastedFormat; QtGui::Molecule* m_molecule; QAction* m_copyAction; QAction* m_copySMILES; QAction* m_copyInChI; QAction* m_copyXYZ; QAction* m_cutAction; QAction* m_clearAction; QAction* m_pasteAction; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COPYPASTE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/000077500000000000000000000000001516317240700252415ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/CMakeLists.txt000066400000000000000000000004301516317240700277760ustar00rootroot00000000000000# Extension set(cp2kinput_srcs cp2kinputdialog.cpp cp2kinput.cpp ) avogadro_plugin(Cp2kInput "CP2K input file generation" ExtensionPlugin cp2kinput.h Cp2kInput "${cp2kinput_srcs}" cp2kinputdialog.ui ) target_link_libraries(Cp2kInput PRIVATE Avogadro::MoleQueue) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/cp2kinput.cpp000066400000000000000000000055471516317240700276770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cp2kinput.h" #include "cp2kinputdialog.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { using Avogadro::MoleQueue::JobObject; Cp2kInput::Cp2kInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&CP2K…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } Cp2kInput::~Cp2kInput() {} QList Cp2kInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList Cp2kInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void Cp2kInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } void Cp2kInput::openJobOutput(const JobObject& job) { m_outputFormat = nullptr; m_outputFileName.clear(); QString outputPath(job.value("outputDirectory").toString()); using QtGui::FileFormatDialog; FileFormatDialog::FormatFilePair result = FileFormatDialog::fileToRead( qobject_cast(parent()), tr("Open Output File"), outputPath); if (result.first == nullptr) // User canceled return; m_outputFormat = result.first; m_outputFileName = result.second; emit moleculeReady(1); } bool Cp2kInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void Cp2kInput::menuActivated() { if (!m_dialog) { m_dialog = new Cp2kInputDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(openJobOutput(Avogadro::MoleQueue::JobObject)), this, SLOT(openJobOutput(Avogadro::MoleQueue::JobObject))); } m_dialog->setMolecule(m_molecule); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/cp2kinput.h000066400000000000000000000030231516317240700273270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CP2KINPUT_H #define AVOGADRO_QTPLUGINS_CP2KINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace MoleQueue { class JobObject; } namespace QtPlugins { class Cp2kInputDialog; class Cp2kInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Cp2kInput(QObject* parent = nullptr); ~Cp2kInput() override; QString name() const override { return tr("CP2K input"); } QString description() const override { return tr("Generate input for CP2K."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const Avogadro::MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; Cp2kInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CP2KINPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp000066400000000000000000000663431516317240700310600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cp2kinputdialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::MoleQueue::JobObject; using Avogadro::MoleQueue::MoleQueueDialog; using Avogadro::MoleQueue::MoleQueueManager; namespace Avogadro::QtPlugins { enum FunctionalOption { FunctionalBLYP = 0, FunctionalBP, FunctionalHCTH120, FunctionalPADE, FunctionalPBE, FunctionalCount }; enum MethodOption { DFT = 0, MolecularMechanics, HybridQuantumClassical, MethodCount }; // MM tab enum EWALDTypeOption { EWALD = 0, ewaldNONE, PME, SPME, EWALDTypeCount }; // QM tab enum SCFGuessOption { ATOMIC = 0, CORE, DENSITIES, HISTORY_RESTART, MOPAC, scfNONE, RANDOM, RESTART, SPARSE, SCFGuessCount }; enum OTMinimizerOption { CG = 0, BROYDEN, DIIS, SD, OTMinimizerCount }; Cp2kInputDialog::Cp2kInputDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_molecule(nullptr), // m_highlighter(NULL), m_updatePending(false) { ui.setupUi(this); // m_highlighter = new Cp2kHighlighter(ui.previewText->document()); buildOptions(); connectBasic(); connectPreview(); connectButtons(); setBasicDefaults(); updatePreviewText(); } Cp2kInputDialog::~Cp2kInputDialog() {} void Cp2kInputDialog::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; connect(mol, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updateTitlePlaceholder())); updateTitlePlaceholder(); updatePreviewText(); } void Cp2kInputDialog::showEvent(QShowEvent* e) { QWidget::showEvent(e); // Update the preview text if an update was requested while hidden. Use a // single shot to allow the dialog to show before popping up any warnings. if (m_updatePending) QTimer::singleShot(0, this, SLOT(updatePreviewText())); } void Cp2kInputDialog::connectBasic() { connect(ui.titleEdit, SIGNAL(textChanged(QString)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.functionalCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.functionalCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.methodCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.ewaldtypeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.emaxSplineSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.rcutnbSplineSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.ewaldalphaSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.ewaldgmaxSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.lsdcheckBox, SIGNAL(stateChanged(bool)), this, SLOT(updatePreviewText())); connect(ui.maxscfspinBox, SIGNAL(valueChanged(int)), this, SLOT(updatePreviewText())); connect(ui.epsscfSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.outerMaxscfSpinBox, SIGNAL(valueChanged(int)), this, SLOT(updatePreviewText())); connect(ui.outerEpsscfSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.scfguessComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.otminimizerComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); } void Cp2kInputDialog::connectPreview() {} void Cp2kInputDialog::connectButtons() { connect(ui.resetAllButton, SIGNAL(clicked()), SLOT(resetClicked())); connect(ui.defaultsButton, SIGNAL(clicked()), SLOT(defaultsClicked())); connect(ui.generateButton, SIGNAL(clicked()), SLOT(generateClicked())); connect(ui.computeButton, SIGNAL(clicked()), SLOT(computeClicked())); connect(ui.closeButton, SIGNAL(clicked()), SLOT(close())); } void Cp2kInputDialog::buildOptions() { buildCalculateOptions(); buildFunctionalOptions(); buildBasisOptions(); buildMethodOptions(); buildEWALDTypeOptions(); buildSCFGuessOptions(); buildOTMinimizerOptions(); } void Cp2kInputDialog::updateOptionCache() { m_optionCache.clear(); m_optionCache.insert(ui.calculateCombo, ui.calculateCombo->currentIndex()); m_optionCache.insert(ui.functionalCombo, ui.functionalCombo->currentIndex()); m_optionCache.insert(ui.basisCombo, ui.basisCombo->currentIndex()); m_optionCache.insert(ui.methodCombo, ui.methodCombo->currentIndex()); m_optionCache.insert(ui.ewaldtypeCombo, ui.ewaldtypeCombo->currentIndex()); m_optionCache.insert(ui.scfguessComboBox, ui.scfguessComboBox->currentIndex()); m_optionCache.insert(ui.otminimizerComboBox, ui.otminimizerComboBox->currentIndex()); } void Cp2kInputDialog::restoreOptionCache() { foreach (QComboBox* combo, m_optionCache.keys()) { combo->blockSignals(true); combo->setCurrentIndex(m_optionCache.value(combo, 0)); combo->blockSignals(false); } } QString Cp2kInputDialog::fromCalcEnum(CalculateOption option) { switch (option) { case CalculateEnergy: return "ENERGY"; case CalculateEnergyAndForces: return "ENERGY_FORCE"; case CalculateMolecularDynamics: return "MOLECULAR_DYNAMICS"; case CalculateGeometryOptimization: return "GEO_OPT"; default: throw std::invalid_argument{ __func__ }; // unreachable } } void Cp2kInputDialog::buildCalculateOptions() { for (int i = 0; i < static_cast(CalculateCount); ++i) { QString text = ""; switch (static_cast(i)) { case CalculateEnergy: text = tr("Energy"); break; case CalculateEnergyAndForces: text = tr("Energy and Forces"); break; case CalculateMolecularDynamics: text = tr("Molecular Dynamics"); break; case CalculateGeometryOptimization: text = tr("Geometry Optimization"); break; default: break; } ui.calculateCombo->addItem(text); } } void Cp2kInputDialog::buildFunctionalOptions() { for (int i = 0; i < static_cast(FunctionalCount); ++i) { QString text = ""; switch (static_cast(i)) { case FunctionalBLYP: text = "BLYP"; break; case FunctionalBP: text = "BP"; break; case FunctionalHCTH120: text = "HCTH120"; break; case FunctionalPADE: text = "PADE"; break; case FunctionalPBE: text = "PBE"; break; default: break; } ui.functionalCombo->addItem(text); } } void Cp2kInputDialog::buildBasisOptions() { for (int i = 0; i < static_cast(BasisCount); ++i) { QString text = ""; switch (static_cast(i)) { case BasisSZVGTH: text = "SZV-GTH"; break; case BasisDZVGTH: text = "DZV-GTH"; break; case BasisDZVPGTH: text = "DZVP-GTH"; break; case BasisTZVPGTH: text = "TZVP-GTH"; break; case BasisTZV2PGTH: text = "TZV2P-GTH"; break; default: break; } ui.basisCombo->addItem(text); } } void Cp2kInputDialog::buildMethodOptions() { for (int i = 0; i < static_cast(MethodCount); ++i) { QString text = ""; switch (static_cast(i)) { case DFT: text = tr("Electronic structure methods (DFT)"); break; case MolecularMechanics: text = tr("Molecular Mechanics"); break; case HybridQuantumClassical: text = tr("Hybrid quantum classical (Not yet supported)"); break; default: break; } ui.methodCombo->addItem(text); } } void Cp2kInputDialog::buildEWALDTypeOptions() { for (int i = 0; i < static_cast(EWALDTypeCount); ++i) { QString text = ""; switch (static_cast(i)) { case EWALD: text = tr("EWALD"); break; case ewaldNONE: text = tr("NONE"); break; case PME: text = tr("PME"); break; case SPME: text = tr("SPME"); break; default: break; } ui.ewaldtypeCombo->addItem(text); } } void Cp2kInputDialog::buildSCFGuessOptions() { for (int i = 0; i < static_cast(SCFGuessCount); ++i) { QString text = ""; switch (static_cast(i)) { case ATOMIC: text = tr("ATOMIC"); break; case CORE: text = tr("CORE"); break; case DENSITIES: text = tr("DENSITIES"); break; case HISTORY_RESTART: text = tr("HISTORY_RESTART"); break; case MOPAC: text = tr("MOPAC"); break; case scfNONE: text = tr("NONE"); break; case RANDOM: text = tr("RANDOM"); break; case RESTART: text = tr("RESTART"); break; case SPARSE: text = tr("SPARSE"); break; default: break; } ui.scfguessComboBox->addItem(text); } } void Cp2kInputDialog::buildOTMinimizerOptions() { for (int i = 0; i < static_cast(OTMinimizerCount); ++i) { QString text = ""; switch (static_cast(i)) { case BROYDEN: text = tr("BROYDEN"); break; case CG: text = tr("Conjugate Gradients"); break; case DIIS: text = tr("DIIS"); break; case SD: text = tr("Steepest descent"); break; default: break; } ui.otminimizerComboBox->addItem(text); } } void Cp2kInputDialog::setBasicDefaults() { ui.titleEdit->setText(QString()); ui.calculateCombo->setCurrentIndex(CalculateEnergy); ui.functionalCombo->setCurrentIndex(FunctionalBLYP); ui.basisCombo->setCurrentIndex(BasisSZVGTH); ui.methodCombo->setCurrentIndex(DFT); ui.ewaldtypeCombo->setCurrentIndex(SPME); ui.scfguessComboBox->setCurrentIndex(ATOMIC); ui.otminimizerComboBox->setCurrentIndex(CG); } QString Cp2kInputDialog::generateJobTitle() const { QString calculation(fromCalcEnum( static_cast(ui.calculateCombo->currentIndex()))); QString basis(ui.basisCombo->currentText()); QString formula(m_molecule ? QString::fromStdString(m_molecule->formula()) : tr("[no molecule]")); // Merge theory/basis into theory // replace(QRegExp("\\s+"), ""); return QString("%1_%2_%3").arg(formula, calculation, basis); } void Cp2kInputDialog::updatePreviewText() { std::map valencee; valencee["H"] = 1; valencee["He"] = 2; // Z=2 valencee["Li"] = 3; valencee["Be"] = 4; valencee["B"] = 3; valencee["C"] = 4; valencee["N"] = 5; valencee["O"] = 6; valencee["F"] = 7; valencee["Ne"] = 8; // Z=10 valencee["Na"] = 9; valencee["Mg"] = 10; valencee["Al"] = 3; valencee["Si"] = 4; valencee["P"] = 5; valencee["S"] = 6; valencee["Cl"] = 7; valencee["Ar"] = 8; // Z=18 valencee["K"] = 9; valencee["Ca"] = 10; valencee["Sc"] = 11; valencee["Ti"] = 12; valencee["V"] = 13; valencee["Cr"] = 14; valencee["Mn"] = 15; valencee["Fe"] = 16; valencee["Co"] = 17; valencee["Ni"] = 18; valencee["Cu"] = 11; valencee["Zn"] = 12; valencee["Ga"] = 13; valencee["Ge"] = 4; valencee["As"] = 5; valencee["Se"] = 6; valencee["Br"] = 7; valencee["Kr"] = 8; // Z=36 valencee["Rb"] = 9; valencee["Sr"] = 10; valencee["Y"] = 11; valencee["Zr"] = 12; valencee["Nb"] = 13; valencee["Mo"] = 14; valencee["Tc"] = 15; valencee["Ru"] = 16; valencee["Rh"] = 17; valencee["Pd"] = 18; valencee["Ag"] = 11; valencee["Cd"] = 12; valencee["In"] = 13; valencee["Sn"] = 4; valencee["Sb"] = 5; valencee["Te"] = 6; valencee["I"] = 7; valencee["Xe"] = 8; // Z=54 valencee["Cs"] = 9; valencee["Ba"] = 10; valencee["W"] = 14; valencee["Pt"] = 10; valencee["Au"] = 11; valencee["Hg"] = 12; valencee["Pb"] = 14; valencee["Bi"] = 15; valencee["Rn"] = 8; // Z=86 // If the dialog is not shown, delay the update in case we need to prompt the // user to overwrite changes. Set the m_updatePending flag to true so we'll // know to update in the show event. if (!isVisible()) { m_updatePending = true; return; } m_updatePending = false; // Has the preview text been modified? if (ui.previewText->document()->isModified()) { QString message = tr("The input file has been modified. " "Would you like to overwrite your changes to reflect " "the new geometry or job options?"); int response = QMessageBox::question( this, tr("Overwrite modified input file?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) != QMessageBox::Yes) { restoreOptionCache(); return; } } // Gather options: QString title(ui.titleEdit->text()); if (title.isEmpty()) title = generateJobTitle(); auto calculate( static_cast(ui.calculateCombo->currentIndex())); auto functional( static_cast(ui.functionalCombo->currentIndex())); auto basis(static_cast(ui.basisCombo->currentIndex())); auto method(static_cast(ui.methodCombo->currentIndex())); auto EWALDType( static_cast(ui.ewaldtypeCombo->currentIndex())); auto SCFGuess( static_cast(ui.scfguessComboBox->currentIndex())); auto OTMinimizer( static_cast(ui.otminimizerComboBox->currentIndex())); QString emaxSpline = QString::number(ui.emaxSplineSpin->value()); QString rcutnb = QString::number(ui.rcutnbSplineSpin->value()); QString ewaldalpha = QString::number(ui.ewaldalphaSpin->value()); QString ewaldgmax = QString::number(ui.ewaldgmaxSpin->value()); QString maxSCF = QString::number(ui.maxscfspinBox->value()); QString epsSCF = QString::number(ui.epsscfSpinBox->value()); QString outermaxSCF = QString::number(ui.outerMaxscfSpinBox->value()); QString outerepsSCF = QString::number(ui.outerEpsscfSpinBox->value()); // Generate text. // Variables: QString runTyp; QString scfTyp; QString gbasis; QString gfunc; QString gmethod; QString mult; QString ewaldtype; QString lsd; QString scfGuess; QString otMinimizer; // Extra options for lines QString extraBasis; QString extraContrl; // Optional lines QString statPt; QString force; QString pcm; runTyp = fromCalcEnum(calculate); switch (functional) { case FunctionalBLYP: gfunc = "BLYP"; break; case FunctionalBP: gfunc = "BP"; break; case FunctionalHCTH120: gfunc = "HCTH120"; break; case FunctionalPADE: gfunc = "PADE"; break; case FunctionalPBE: gfunc = "PBE"; break; default: break; } switch (basis) { case BasisSZVGTH: gbasis = "SZV-GTH"; break; case BasisDZVGTH: gbasis = "DZV-GTH"; break; case BasisDZVPGTH: gbasis = "DZVP-GTH"; break; case BasisTZVPGTH: gbasis = "TZVP-GTH"; break; case BasisTZV2PGTH: gbasis = "TZV2P-GTH"; break; default: break; } switch (method) { case DFT: gmethod = "QS"; break; case MolecularMechanics: gmethod = "FIST"; break; case HybridQuantumClassical: gmethod = "QMMM"; break; default: break; } switch (EWALDType) { case EWALD: ewaldtype = "EWALD"; break; case ewaldNONE: ewaldtype = "NONE"; break; case PME: ewaldtype = "PME"; break; case SPME: ewaldtype = "SPME"; break; default: break; } switch (SCFGuess) { case ATOMIC: scfGuess = "ATOMIC"; break; case CORE: scfGuess = "CORE"; break; case DENSITIES: scfGuess = "DENSITIES"; break; case HISTORY_RESTART: scfGuess = "HISTORY_RESTART"; break; case MOPAC: scfGuess = "MOPAC"; break; case scfNONE: scfGuess = "NONE"; break; case RANDOM: scfGuess = "RANDOM"; break; case RESTART: scfGuess = "RESTART"; break; case SPARSE: scfGuess = "SPARSE"; break; default: break; } switch (OTMinimizer) { case BROYDEN: otMinimizer = "BROYDEN"; break; case CG: otMinimizer = "CG"; break; case DIIS: otMinimizer = "DIIS"; break; case SD: otMinimizer = "SD"; break; default: break; } /* switch (lsdbool) { case true: lsd = "TRUE"; break; case false: lsd = "FALSE"; break; }*/ // build up the input file: QString file; file += "&GLOBAL\n"; file += QString(" PROJECT %1\n").arg(title); file += QString(" RUN_TYPE %1\n").arg(runTyp); file += " PRINT_LEVEL LOW\n"; file += "&END GLOBAL\n\n"; file += "&FORCE_EVAL\n"; file += QString(" METHOD %1\n").arg(gmethod); file += " &SUBSYS\n"; if (m_molecule) { std::vector atomList; bool inlist = true; for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); for (unsigned iat : atomList) { if (iat == atom.atomicNumber()) { inlist = false; break; } else { inlist = true; } } if (inlist) { atomList.push_back(atom.atomicNumber()); QString symbol = Core::Elements::symbol(atom.atomicNumber()); file += QString(" &KIND %1\n").arg(symbol); file += QString(" ELEMENT %1\n") .arg(Core::Elements::symbol(atom.atomicNumber())); file += QString(" BASIS_SET %1\n").arg(gbasis); const auto e = valencee.find(symbol); const auto suffix = e != valencee.cend() ? QString("-q%1").arg(e->second) : ""; file += QString( " ! XXX you may have to manually modify/append '-qn' suffix, " "where n is the number of valence electrons\n"); file += QString(" POTENTIAL GTH-%1%2\n").arg(gfunc).arg(suffix); file += QString(" &END KIND\n"); } } } // unit cell file += " &CELL\n"; if (const Core::UnitCell* cell = m_molecule->unitCell()) { Vector3f a = cell->aVector().cast(); Vector3f b = cell->bVector().cast(); Vector3f c = cell->cVector().cast(); file += QStringLiteral(" A%1%2%3\n") .arg(a.x(), 16, 'f', 7) .arg(a.y(), 16, 'f', 7) .arg(a.z(), 16, 'f', 7); file += QStringLiteral(" B%1%2%3\n") .arg(b.x(), 16, 'f', 7) .arg(b.y(), 16, 'f', 7) .arg(b.z(), 16, 'f', 7); file += QStringLiteral(" C%1%2%3\n") .arg(c.x(), 16, 'f', 7) .arg(c.y(), 16, 'f', 7) .arg(c.z(), 16, 'f', 7); } else { file += " ! XXX please manually adjust cell size\n"; file += " A 10.00000000 0.000000000 0.000000000\n"; file += " B 0.000000000 10.00000000 0.000000000\n"; file += " C 0.000000000 0.000000000 10.00000000\n"; file += " PERIODIC NONE\n"; } file += " &END CELL\n"; if (m_molecule) { file += " &COORD\n"; for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); file += QString(" %1 %2 %3 %4\n") .arg(Core::Elements::symbol(atom.atomicNumber()), -3) .arg(atom.position3d().x(), 9, 'f', 5) .arg(atom.position3d().y(), 9, 'f', 5) .arg(atom.position3d().z(), 9, 'f', 5); } file += " &END COORD\n"; } file += " &END SUBSYS\n"; if (gmethod == "QS") { file += " &DFT\n"; file += " ! XXX: you may have to manually modify the file names, " "depending on the system and calculation level\n"; file += " BASIS_SET_FILE_NAME BASIS_SET\n"; file += " POTENTIAL_FILE_NAME GTH_POTENTIALS\n"; if (ui.lsdcheckBox->isChecked()) file += " LSD TRUE\n"; file += " &QS\n"; file += " EPS_DEFAULT 1.0E-10\n"; file += " &END QS\n"; file += QString(" LSD %1\n").arg(lsd); file += " &MGRID\n"; file += " CUTOFF 280\n"; file += " COMMENSURATE\n"; file += " &END MGRID\n"; file += " &SCF\n"; file += QString(" MAX_SCF %1\n").arg(maxSCF); file += QString(" EPS_SCF %1\n").arg(epsSCF); file += QString(" SCF_GUESS %1\n").arg(scfGuess); file += " &OUTER_SCF\n"; file += QString(" MAX_SCF %1\n").arg(outermaxSCF); file += QString(" EPS_SCF %1\n").arg(outerepsSCF); file += " &END\n"; file += " &OT T\n"; file += QString(" MINIMIZER %1\n").arg(otMinimizer); file += " N_DIIS 7\n"; file += " &END OT\n"; file += " &END SCF\n"; file += " &XC\n"; file += QString(" &XC_FUNCTIONAL %1\n").arg(gfunc); file += " &END XC_FUNCTIONAL\n"; file += " &END XC\n"; file += " &END DFT\n"; file += " &PRINT\n"; file += " &FORCES ON\n"; file += " &END FORCES\n"; file += " &END PRINT\n"; } else if (gmethod == "FIST") { file += " &TOPOLOGY\n"; file += " CHARGE_BETA\n"; file += " CONNECTIVITY AMBER\n"; file += " CONN_FILE_NAME ! Add file name that contains connectivity data\n"; file += " &END TOPOLOGY \n"; file += " &PRINT\n"; file += " &TOPOLOGY_INFO\n"; file += " AMBER_INFO\n"; file += " &END\n"; file += " &END \n"; file += " &END SUBSYS\n"; file += " &MM\n"; file += " &FORCEFIELD\n"; file += " PARM_FILE_NAME ! Add file name that contains force field " "parameters\n"; file += " PARMTYPE AMBER\n"; file += " &SPLINE\n"; file += QString(" EMAX_SPLINE %1\n").arg(emaxSpline); file += QString(" RCUT_NB %1\n").arg(rcutnb); file += " &END SPLINE\n"; file += " &END FORCEFIELD\n"; file += " &POISSON\n"; file += " &EWALD\n"; file += QString(" EWALD_TYPE %1\n").arg(ewaldtype); file += QString(" ALPHA %1\n").arg(ewaldalpha); file += QString(" GMAX %1\n").arg(ewaldgmax); file += " &END EWALD\n"; file += " &END POISSON\n"; file += " &PRINT\n"; file += " &FF_INFO\n"; file += " $END\n"; file += " &FF_PARAMETER_FILE\n"; file += " &END\n"; file += " &END PRINT\n"; file += " &END MM\n"; } file += "&END FORCE_EVAL\n"; ui.previewText->setText(file); ui.previewText->document()->setModified(false); updateOptionCache(); } void Cp2kInputDialog::resetClicked() { setBasicDefaults(); updatePreviewText(); } void Cp2kInputDialog::defaultsClicked() { setBasicDefaults(); updatePreviewText(); } void Cp2kInputDialog::generateClicked() { QSettings settings; QString fileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + ".inp"; QString targetFile = settings.value("cp2kInput/outputDirectory", QDir::homePath()).toString(); targetFile = QDir(QFileInfo(targetFile).absoluteDir()).absoluteFilePath(fileName); fileName = QFileDialog::getSaveFileName(this, tr("Save CP2K input file"), targetFile); // User cancel: if (fileName.isNull()) return; settings.setValue("cp2kInput/outputDirectory", fileName); QFile file(fileName); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(ui.previewText->toPlainText().toLatin1()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical(this, tr("Output Error"), tr("Failed to write to file %1.").arg(fileName)); } } void Cp2kInputDialog::computeClicked() { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } QString description(ui.titleEdit->text()); if (description.isEmpty()) description = generateJobTitle(); QString fileNameBase = ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text(); JobObject job; job.setProgram("CP2K"); job.setDescription(description); job.setInputFile(QString("%1.inp").arg(fileNameBase), ui.previewText->toPlainText()); MoleQueueDialog::SubmitStatus submitStatus = MoleQueueDialog::submitJob(this, tr("Submit CP2K Calculation"), job, MoleQueueDialog::WaitForSubmissionResponse | MoleQueueDialog::SelectProgramFromTemplate); switch (submitStatus) { default: case MoleQueueDialog::SubmissionSuccessful: case MoleQueueDialog::SubmissionFailed: case MoleQueueDialog::SubmissionAttempted: case MoleQueueDialog::SubmissionAborted: // The dialog handles these cases adequately, we don't need to do // anything. break; case MoleQueueDialog::JobFailed: // Inform the user: QMessageBox::information(this, tr("Job Failed"), tr("The job did not complete successfully."), QMessageBox::Ok); break; case MoleQueueDialog::JobFinished: // Let the world know that the job is ready to open. job has been // overwritten with the final job details. emit openJobOutput(job); hide(); break; } } void Cp2kInputDialog::updateTitlePlaceholder() { ui.titleEdit->setPlaceholderText(generateJobTitle()); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/cp2kinputdialog.h000066400000000000000000000047141516317240700305170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef CP2KINPUTDIALOG_H #define CP2KINPUTDIALOG_H #include #include #include #include "ui_cp2kinputdialog.h" #include class QJsonObject; namespace Avogadro { namespace MoleQueue { class JobObject; } namespace QtGui { class Molecule; } namespace QtPlugins { // class GamessHighlighter; class Cp2kInputDialog : public QDialog { Q_OBJECT enum CalculateOption { CalculateEnergy = 0, CalculateEnergyAndForces, CalculateMolecularDynamics, CalculateGeometryOptimization, CalculateCount }; enum BasisOption { BasisSZVGTH = 0, BasisDZVGTH, BasisDZVPGTH, BasisTZVPGTH, BasisTZV2PGTH, BasisCount }; public: explicit Cp2kInputDialog(QWidget* parent_ = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~Cp2kInputDialog() override; void setMolecule(QtGui::Molecule* mol); signals: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const Avogadro::MoleQueue::JobObject& job); protected: void showEvent(QShowEvent* e) override; private slots: void updatePreviewText(); void defaultsClicked(); void resetClicked(); void generateClicked(); void computeClicked(); void updateTitlePlaceholder(); private: void connectBasic(); void connectPreview(); void connectButtons(); void buildOptions(); void updateOptionCache(); void restoreOptionCache(); void buildCalculateOptions(); void buildFunctionalOptions(); void buildMethodOptions(); void buildBasisOptions(); void buildStateOptions(); void buildMultiplicityOptions(); void buildChargeOptions(); void buildEWALDTypeOptions(); void buildSCFGuessOptions(); void buildOTMinimizerOptions(); void setBasicDefaults(); /// @return valid values for CP2K RUN_TYPE static QString fromCalcEnum(CalculateOption option); QString generateJobTitle() const; Ui::Cp2kInputDialog ui; QtGui::Molecule* m_molecule; // GamessHighlighter *m_highlighter; bool m_updatePending; QMap m_optionCache; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // CP2KINPUTDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui000066400000000000000000000470321516317240700307050ustar00rootroot00000000000000 Cp2kInputDialog 0 0 651 566 CP2K Input Reset All Defaults Qt::Horizontal QSizePolicy::MinimumExpanding 10 20 Submit Calculation… Save File… Close 0 1 0 300 0 &Basic Setup Title: titleEdit Filename Base: job Calculate: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter calculateCombo Qt::Horizontal 40 20 Method: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter methodCombo Qt::Horizontal 40 20 Basis set: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter basisCombo Functional Qt::Horizontal 16 20 Qt::Vertical 20 0 MM FF Emax Spline Spin 6 -99.000000000000000 0.000010000000000 0.000000000000000 Qt::Horizontal 40 20 FF RCUT NB 6 -99.000000000000000 -1.000000000000000 Qt::Horizontal 40 20 Poisson EWALD type Qt::Horizontal 40 20 Poisson EWALD Alpha -99.000000000000000 Qt::Horizontal 40 20 Poisson EWALD GMAX 1000 10 Qt::Horizontal 40 20 QM LSD TRUE Qt::Horizontal 40 20 MAX SCF 999 50 Qt::Horizontal 40 20 EPS SCF 8 0.000010000000000 0.000010000000000 Qt::Horizontal 40 20 SCF GUESS Qt::Horizontal 40 20 OUTER MAX SCF 999 50 Qt::Horizontal 40 20 OUTER EPS SCF 8 0.000010000000000 0.000010000000000 Qt::Horizontal 40 20 OT T MINIMIZER Qt::Horizontal 40 20 calculateCombo basisCombo functionalCombo methodCombo previewText resetAllButton defaultsButton generateButton closeButton OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/000077500000000000000000000000001516317240700250035ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/CMakeLists.txt000066400000000000000000000011061516317240700275410ustar00rootroot00000000000000set(crystal_srcs crystal.cpp importcrystaldialog.cpp supercelldialog.cpp unitcelldialog.cpp volumescalingdialog.cpp ) set(crystal_uis importcrystaldialog.ui supercelldialog.ui unitcelldialog.ui volumescalingdialog.ui ) avogadro_plugin(Crystal "Provide crystal-specific editing/analysis." ExtensionPlugin crystal.h Crystal "${crystal_srcs}" "${crystal_uis}" ) avogadro_plugin(CrystalScene "Render unit cell lattice." ScenePlugin crystalscene.h CrystalScene crystalscene.cpp) target_link_libraries(CrystalScene PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/crystal.cpp000066400000000000000000000167731516317240700272060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "crystal.h" #include "importcrystaldialog.h" #include "supercelldialog.h" #include "unitcelldialog.h" #include "volumescalingdialog.h" #include #include #include #include #include #include #include using Avogadro::Core::CrystalTools; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { Crystal::Crystal(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_unitCellDialog(nullptr), m_importCrystalClipboardAction(new QAction(this)), m_editUnitCellAction(new QAction(this)), m_buildSupercellAction(new QAction(this)), m_niggliReduceAction(new QAction(this)), m_scaleVolumeAction(new QAction(this)), m_standardOrientationAction(new QAction(this)), m_toggleUnitCellAction(new QAction(this)), m_wrapAtomsToCellAction(new QAction(this)) { m_importCrystalClipboardAction->setText(tr("Import Crystal from Clipboard…")); connect(m_importCrystalClipboardAction, SIGNAL(triggered()), SLOT(importCrystalClipboard())); m_actions.push_back(m_importCrystalClipboardAction); m_importCrystalClipboardAction->setProperty("menu priority", 220); // this will be changed when the molecule is set: m_toggleUnitCellAction->setText(tr("Toggle Unit Cell")); connect(m_toggleUnitCellAction, SIGNAL(triggered()), SLOT(toggleUnitCell())); m_actions.push_back(m_toggleUnitCellAction); m_toggleUnitCellAction->setProperty("menu priority", 210); m_editUnitCellAction->setText(tr("Edit Unit Cell…")); connect(m_editUnitCellAction, SIGNAL(triggered()), SLOT(editUnitCell())); m_actions.push_back(m_editUnitCellAction); m_editUnitCellAction->setProperty("menu priority", 190); m_wrapAtomsToCellAction->setText(tr("&Wrap Atoms to Unit Cell")); connect(m_wrapAtomsToCellAction, SIGNAL(triggered()), SLOT(wrapAtomsToCell())); m_actions.push_back(m_wrapAtomsToCellAction); m_wrapAtomsToCellAction->setProperty("menu priority", 180); m_standardOrientationAction->setText(tr("Rotate to Standard &Orientation")); connect(m_standardOrientationAction, SIGNAL(triggered()), SLOT(standardOrientation())); m_actions.push_back(m_standardOrientationAction); m_standardOrientationAction->setProperty("menu priority", 170); m_scaleVolumeAction->setText(tr("Scale Cell &Volume…")); connect(m_scaleVolumeAction, SIGNAL(triggered()), SLOT(scaleVolume())); m_actions.push_back(m_scaleVolumeAction); m_scaleVolumeAction->setProperty("menu priority", 160); m_buildSupercellAction->setText(tr("Build &Supercell…")); connect(m_buildSupercellAction, SIGNAL(triggered()), SLOT(buildSupercell())); m_actions.push_back(m_buildSupercellAction); m_buildSupercellAction->setProperty("menu priority", 150); m_niggliReduceAction->setText(tr("Reduce Cell (&Niggli)")); connect(m_niggliReduceAction, SIGNAL(triggered()), SLOT(niggliReduce())); m_actions.push_back(m_niggliReduceAction); m_niggliReduceAction->setProperty("menu priority", 140); updateActions(); } Crystal::~Crystal() { if (m_unitCellDialog) m_unitCellDialog->deleteLater(); qDeleteAll(m_actions); m_actions.clear(); } QList Crystal::actions() const { return m_actions; } QStringList Crystal::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void Crystal::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_unitCellDialog) m_unitCellDialog->setMolecule(m_molecule); if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void Crystal::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void Crystal::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); m_toggleUnitCellAction->setText(tr("Remove &Unit Cell")); } else { foreach (QAction* action, m_actions) action->setEnabled(false); m_importCrystalClipboardAction->setEnabled(true); m_toggleUnitCellAction->setEnabled(true); m_toggleUnitCellAction->setText(tr("Add &Unit Cell")); } } void Crystal::importCrystalClipboard() { ImportCrystalDialog d; Core::Molecule m; if (d.importCrystalClipboard(m)) { // If we succeeded, update m_molecule Molecule::MoleculeChanges changes = Molecule::Added | Molecule::Atoms | Molecule::UnitCell | Molecule::NewCrystal; QString undoText = tr("Import Crystal from Clipboard"); m_molecule->undoMolecule()->modifyMolecule(m, changes, undoText); } } void Crystal::registerCommands() { emit registerCommand("wrapUnitCell", tr("Wrap atoms into the unit cell.")); emit registerCommand("standardCrystalOrientation", tr("Rotate the unit cell to the standard orientation.")); } bool Crystal::handleCommand(const QString& command, [[maybe_unused]] const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "wrapUnitCell") { wrapAtomsToCell(); return true; } else if (command == "standardCrystalOrientation") { standardOrientation(); return true; } return false; } void Crystal::editUnitCell() { if (!m_unitCellDialog) { m_unitCellDialog = new UnitCellDialog(qobject_cast(parent())); m_unitCellDialog->setMolecule(m_molecule); } m_unitCellDialog->show(); m_unitCellDialog->raise(); m_unitCellDialog->activateWindow(); } void Crystal::buildSupercell() { SupercellDialog d; d.buildSupercell(*m_molecule); } void Crystal::niggliReduce() { if (CrystalTools::isNiggliReduced(*m_molecule)) { QMessageBox::information( qobject_cast(parent()), tr("Niggli Reduce Crystal"), tr("The unit cell is already reduced."), QMessageBox::Ok); return; } m_molecule->undoMolecule()->niggliReduceCell(); } void Crystal::scaleVolume() { if (!m_molecule->unitCell()) return; VolumeScalingDialog dlg; dlg.setCurrentVolume(m_molecule->unitCell()->volume()); int reply = dlg.exec(); if (reply != QDialog::Accepted) return; m_molecule->undoMolecule()->setCellVolume( dlg.newVolume(), dlg.transformAtoms() ? CrystalTools::TransformAtoms : CrystalTools::None); } void Crystal::standardOrientation() { m_molecule->undoMolecule()->rotateCellToStandardOrientation(); } void Crystal::toggleUnitCell() { if (m_molecule->unitCell()) { m_molecule->undoMolecule()->removeUnitCell(); } else { m_molecule->undoMolecule()->addUnitCell(); editUnitCell(); } } void Crystal::wrapAtomsToCell() { m_molecule->undoMolecule()->wrapAtomsToCell(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/crystal.h000066400000000000000000000037001516317240700266350ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CRYSTAL_H #define AVOGADRO_QTPLUGINS_CRYSTAL_H #include namespace Avogadro { namespace QtPlugins { class UnitCellDialog; /** * @brief Tools for crystal-specific editing/analysis. */ class Crystal : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Crystal(QObject* parent_ = nullptr); ~Crystal() override; QString name() const override { return tr("Crystal"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void importCrystalClipboard(); void editUnitCell(); void buildSupercell(); void niggliReduce(); void scaleVolume(); void standardOrientation(); void toggleUnitCell(); void wrapAtomsToCell(); private: QList m_actions; QtGui::Molecule* m_molecule; UnitCellDialog* m_unitCellDialog; QAction* m_importCrystalClipboardAction; QAction* m_editUnitCellAction; QAction* m_buildSupercellAction; QAction* m_niggliReduceAction; QAction* m_scaleVolumeAction; QAction* m_standardOrientationAction; QAction* m_toggleUnitCellAction; QAction* m_wrapAtomsToCellAction; }; inline QString Crystal::description() const { return tr("Tools for crystal-specific editing/analysis."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CRYSTAL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/crystalscene.cpp000066400000000000000000000121771516317240700302160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "crystalscene.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::UnitCell; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::SphereGeometry; const Vector3ub red = { 255, 0, 0 }; const Vector3ub green = { 0, 255, 0 }; const Vector3ub blue = { 0, 0, 255 }; CrystalScene::CrystalScene(QObject* p) : ScenePlugin(p), m_setupWidget(nullptr) { m_layerManager = QtGui::PluginLayerManager(m_name); QSettings settings; m_lineWidth = settings.value("crystal/lineWidth", 2.0).toDouble(); auto color = settings.value("crystal/color", QColor(Qt::white)).value(); m_color[0] = static_cast(color.red()); m_color[1] = static_cast(color.green()); m_color[2] = static_cast(color.blue()); m_multiColor = settings.value("crystal/multiColor", true).toBool(); } CrystalScene::~CrystalScene() {} void CrystalScene::process(const QtGui::Molecule& molecule, GroupNode& node) { if (const UnitCell* cell = molecule.unitCell()) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* cylinders = new CylinderGeometry; geometry->addDrawable(cylinders); auto* spheres = new SphereGeometry; geometry->addDrawable(spheres); auto color = m_color; float radius = static_cast(m_lineWidth) * 0.0125f; Vector3f a = cell->aVector().cast(); Vector3f b = cell->bVector().cast(); Vector3f c = cell->cVector().cast(); Vector3f o(Vector3f::Zero()); // 8 corner spheres Vector3f corners[8] = { o, o + a, o + b, o + a + b, o + c, o + a + c, o + b + c, o + a + b + c }; for (const auto& corner : corners) spheres->addSphere(corner, color, radius); // a-axis edges Vector3ub aColor = m_multiColor ? red : color; cylinders->addCylinder(o, o + a, radius, aColor); cylinders->addCylinder(o + c, o + a + c, radius, color); cylinders->addCylinder(o + b, o + a + b, radius, color); cylinders->addCylinder(o + b + c, o + a + b + c, radius, color); // b-axis edges Vector3ub bColor = m_multiColor ? green : color; cylinders->addCylinder(o, o + b, radius, bColor); cylinders->addCylinder(o + c, o + b + c, radius, color); cylinders->addCylinder(o + a, o + a + b, radius, color); cylinders->addCylinder(o + a + c, o + a + b + c, radius, color); // c-axis edges Vector3ub cColor = m_multiColor ? blue : color; cylinders->addCylinder(o, o + c, radius, cColor); cylinders->addCylinder(o + a, o + a + c, radius, color); cylinders->addCylinder(o + b, o + b + c, radius, color); cylinders->addCylinder(o + a + b, o + a + b + c, radius, color); } } void CrystalScene::setLineWidth(double width) { m_lineWidth = width; emit drawablesChanged(); QSettings settings; settings.setValue("crystal/lineWidth", width); } void CrystalScene::setColor(const QColor& color) { m_color[0] = static_cast(color.red()); m_color[1] = static_cast(color.green()); m_color[2] = static_cast(color.blue()); emit drawablesChanged(); QSettings settings; settings.setValue("crystal/color", color); } void CrystalScene::setMultiColor(bool multiColor) { m_multiColor = multiColor; emit drawablesChanged(); QSettings settings; settings.setValue("crystal/multiColor", multiColor); } QWidget* CrystalScene::setupWidget() { if (!m_setupWidget) { m_setupWidget = new QWidget(qobject_cast(parent())); auto* v = new QVBoxLayout; // line width auto* spin = new QDoubleSpinBox; spin->setRange(0.5, 5.0); spin->setSingleStep(0.25); spin->setDecimals(2); spin->setValue(m_lineWidth); connect(spin, SIGNAL(valueChanged(double)), SLOT(setLineWidth(double))); auto* form = new QFormLayout; form->addRow(tr("Line width:"), spin); auto* multiColor = new QCheckBox; multiColor->setChecked(m_multiColor); form->addRow(tr("Color axes:"), multiColor); connect(multiColor, SIGNAL(toggled(bool)), SLOT(setMultiColor(bool))); auto* color = new QtGui::ColorButton; connect(color, SIGNAL(colorChanged(const QColor&)), SLOT(setColor(const QColor&))); form->addRow(tr("Line color:"), color); v->addLayout(form); v->addStretch(1); m_setupWidget->setLayout(v); } return m_setupWidget; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/crystalscene.h000066400000000000000000000026621516317240700276610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CRYSTALSCENE_H #define AVOGADRO_QTPLUGINS_CRYSTALSCENE_H #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render the unit cell boundaries. */ class CrystalScene : public QtGui::ScenePlugin { Q_OBJECT public: explicit CrystalScene(QObject* parent = nullptr); ~CrystalScene() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Crystal Lattice"); } QString description() const override { return tr("Render the unit cell boundaries."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } private slots: void setColor(const QColor& color); void setLineWidth(double width); void setMultiColor(bool multiColor); private: std::string m_name = "Crystal Lattice"; QWidget* m_setupWidget; float m_lineWidth; Vector3ub m_color; bool m_multiColor; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CRYSTALSCENE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/importcrystaldialog.cpp000066400000000000000000000037551516317240700316150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "importcrystaldialog.h" #include "ui_importcrystaldialog.h" #include #include #include #include #include #include using std::string; namespace Avogadro::QtPlugins { ImportCrystalDialog::ImportCrystalDialog(QWidget* p) : QDialog(p), m_ui(new Ui::ImportCrystalDialog) { m_ui->setupUi(this); } ImportCrystalDialog::~ImportCrystalDialog() { delete m_ui; } bool ImportCrystalDialog::importCrystalClipboard(Avogadro::Core::Molecule& mol) { QString text = QApplication::clipboard()->text(); m_ui->edit_text->setText(text); // If the user rejected, just return false if (this->exec() == QDialog::Rejected) return false; // Use POSCAR format by default. If the extension was set, use that instead std::string ext = m_ui->edit_extension->text().toStdString(); if (ext.empty()) ext = "POSCAR"; // Update the text text = m_ui->edit_text->toPlainText(); std::stringstream s(text.toStdString()); if (Io::FileFormatManager::instance().readString(mol, s.str(), ext)) return true; // Print out the error messages from the read if we failed if (!Io::FileFormatManager::instance().error().empty()) { qDebug() << "FileFormatManager error message:" << QString::fromStdString( Io::FileFormatManager::instance().error()); } displayInvalidFormatMessage(); return false; } void ImportCrystalDialog::displayInvalidFormatMessage() { QMessageBox::critical( this, tr("Cannot Parse Text"), tr("Failed to read the data with the supplied format.")); reject(); close(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/importcrystaldialog.h000066400000000000000000000022631516317240700312530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_IMPORTCRYSTALDIALOG_H #define AVOGADRO_QTPLUGINS_IMPORTCRYSTALDIALOG_H #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { namespace Ui { class ImportCrystalDialog; } /** * @brief The ImportCrystalDialog class provides a dialog for importing * a crystal from the clipboard. */ class ImportCrystalDialog : public QDialog { Q_OBJECT public: ImportCrystalDialog(QWidget* p = nullptr); ~ImportCrystalDialog() override; // Avogadro::Core::Molecule is required for the format function bool importCrystalClipboard(Avogadro::Core::Molecule& mol); void displayInvalidFormatMessage(); private: AVO_DISABLE_COPY(ImportCrystalDialog) Ui::ImportCrystalDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_IMPORTCRYSTALDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/importcrystaldialog.ui000066400000000000000000000040501516317240700314350ustar00rootroot00000000000000 Avogadro::QtPlugins::ImportCrystalDialog 0 0 400 300 Import Crystal File extension for Open Babel conversion (default - Avogadro::POSCAR): edit_extension Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtPlugins::ImportCrystalDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::ImportCrystalDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/supercelldialog.cpp000066400000000000000000000024261516317240700306710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "supercelldialog.h" #include "ui_supercelldialog.h" #include #include #include #include namespace Avogadro::QtPlugins { SupercellDialog::SupercellDialog(QWidget* p) : QDialog(p), m_ui(new Ui::SupercellDialog) { m_ui->setupUi(this); } SupercellDialog::~SupercellDialog() { delete m_ui; } bool SupercellDialog::buildSupercell(Avogadro::QtGui::Molecule& mol) { // If the user rejected, just return false if (this->exec() == QDialog::Rejected) return false; // Read the values unsigned int a = m_ui->aCellSpinBox->value(); unsigned int b = m_ui->bCellSpinBox->value(); unsigned int c = m_ui->cCellSpinBox->value(); // No need to do anything if all the values are one if (a == 1 && b == 1 && c == 1) return true; // Run the supercell-building tool mol.undoMolecule()->buildSupercell(a, b, c); return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/supercelldialog.h000066400000000000000000000021001516317240700303230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SUPERCELLDIALOG_H #define AVOGADRO_QTPLUGINS_SUPERCELLDIALOG_H #include #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class SupercellDialog; } /** * @brief The SupercellDialog class provides a dialog for * building a supercell from a crystal. */ class SupercellDialog : public QDialog { Q_OBJECT public: SupercellDialog(QWidget* p = nullptr); ~SupercellDialog() override; bool buildSupercell(Avogadro::QtGui::Molecule& mol); void displayInvalidFormatMessage(); private: AVO_DISABLE_COPY(SupercellDialog) Ui::SupercellDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SUPERCELLDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/supercelldialog.ui000066400000000000000000000064721516317240700305310ustar00rootroot00000000000000 Avogadro::QtPlugins::SupercellDialog 0 0 324 188 Supercell Parameters Super Cell Options A repeat: 1 B repeat: 1 C repeat: 1 QDialogButtonBox::Cancel|QDialogButtonBox::Ok Qt::Vertical 20 0 ok_cancel_bb accepted() Avogadro::QtPlugins::SupercellDialog accept() 161 159 161 93 ok_cancel_bb rejected() Avogadro::QtPlugins::SupercellDialog reject() 161 159 161 93 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/unitcelldialog.cpp000066400000000000000000000250221516317240700305070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "unitcelldialog.h" #include "ui_unitcelldialog.h" #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace { // Matrix formatting: const int MATRIX_WIDTH = 9; const int MATRIX_PREC = 5; const char MATRIX_FMT = 'f'; // Valid value separators in matrix editors: const static QRegularExpression MATRIX_SEP( R"(\s|,|;|\||\[|\]|\{|\}|\(|\)|\&|/|<|>)"); } // namespace namespace Avogadro::QtPlugins { UnitCellDialog::UnitCellDialog(QWidget* p) : QDialog(p), m_ui(new Ui::UnitCellDialog), m_molecule(nullptr), m_mode(Invalid) { m_ui->setupUi(this); connect(m_ui->a, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->b, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->c, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->alpha, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->beta, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->gamma, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->cellMatrix, SIGNAL(textChanged()), SLOT(cellMatrixEdited())); connect(m_ui->fractionalMatrix, SIGNAL(textChanged()), SLOT(fractionalMatrixEdited())); connect(m_ui->apply, SIGNAL(clicked()), SLOT(apply())); connect(m_ui->revert, SIGNAL(clicked()), SLOT(revert())); } UnitCellDialog::~UnitCellDialog() { delete m_ui; } void UnitCellDialog::setMolecule(QtGui::Molecule* molecule) { if (molecule != m_molecule) { if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); revert(); } } void UnitCellDialog::moleculeChanged(unsigned int changes) { if (changes & Molecule::UnitCell) revert(); } void UnitCellDialog::parametersEdited() { setMode(Parameters); updateParameters(); revertCellMatrix(); revertFractionalMatrix(); } void UnitCellDialog::cellMatrixEdited() { setMode(CellMatrix); if (validateCellMatrix()) { updateCellMatrix(); revertParameters(); revertFractionalMatrix(); enableApply(true); } else { enableApply(false); } } void UnitCellDialog::fractionalMatrixEdited() { setMode(FractionalMatrix); if (validateFractionalMatrix()) { updateFractionalMatrix(); revertParameters(); revertCellMatrix(); enableApply(true); } else { enableApply(false); } } void UnitCellDialog::apply() { if (!isCrystal()) { revert(); return; } switch (m_mode) { case Invalid: case Clean: revert(); break; default: { Core::CrystalTools::Options options = Core::CrystalTools::None; if (m_ui->transformAtoms->isChecked()) options |= Core::CrystalTools::TransformAtoms; m_molecule->undoMolecule()->editUnitCell(m_tempCell.cellMatrix(), options); break; } } } void UnitCellDialog::revert() { if (isCrystal()) m_tempCell = *m_molecule->unitCell(); revertParameters(); revertCellMatrix(); validateCellMatrix(); revertFractionalMatrix(); validateFractionalMatrix(); setMode(isCrystal() ? Clean : Invalid); } bool UnitCellDialog::isCrystal() const { return m_molecule && m_molecule->unitCell(); } void UnitCellDialog::setMode(UnitCellDialog::Mode m) { if (m != m_mode) { m_mode = m; enableParameters(m == Clean || m == Parameters); enableCellMatrix(m == Clean || m == CellMatrix); enableFractionalMatrix(m == Clean || m == FractionalMatrix); enableApply(m != Clean && m != Invalid); enableRevert(m != Clean && m != Invalid); } } void UnitCellDialog::enableParameters(bool e) { m_ui->a->setEnabled(e); m_ui->b->setEnabled(e); m_ui->c->setEnabled(e); m_ui->alpha->setEnabled(e); m_ui->beta->setEnabled(e); m_ui->gamma->setEnabled(e); } void UnitCellDialog::enableCellMatrix(bool e) { m_ui->cellMatrix->setEnabled(e); } void UnitCellDialog::enableFractionalMatrix(bool e) { m_ui->fractionalMatrix->setEnabled(e); } void UnitCellDialog::enableApply(bool e) { m_ui->apply->setEnabled(e); } void UnitCellDialog::enableRevert(bool e) { m_ui->revert->setEnabled(e); } void UnitCellDialog::blockParametersSignals(bool e) { m_ui->a->blockSignals(e); m_ui->b->blockSignals(e); m_ui->c->blockSignals(e); m_ui->alpha->blockSignals(e); m_ui->beta->blockSignals(e); m_ui->gamma->blockSignals(e); } void UnitCellDialog::blockCellMatrixSignals(bool e) { m_ui->cellMatrix->blockSignals(e); } void UnitCellDialog::blockFractionalMatrixSignals(bool e) { m_ui->fractionalMatrix->blockSignals(e); } void UnitCellDialog::revertParameters() { blockParametersSignals(true); if (isCrystal()) { m_ui->a->setValue(static_cast(m_tempCell.a())); m_ui->b->setValue(static_cast(m_tempCell.b())); m_ui->c->setValue(static_cast(m_tempCell.c())); m_ui->alpha->setValue(static_cast(m_tempCell.alpha() * RAD_TO_DEG)); m_ui->beta->setValue(static_cast(m_tempCell.beta() * RAD_TO_DEG)); m_ui->gamma->setValue(static_cast(m_tempCell.gamma() * RAD_TO_DEG)); } else { enableParameters(false); m_ui->a->setValue(3.); m_ui->b->setValue(3.); m_ui->c->setValue(3.); m_ui->alpha->setValue(90.); m_ui->beta->setValue(90.); m_ui->gamma->setValue(90.); } blockParametersSignals(false); } void UnitCellDialog::revertCellMatrix() { blockCellMatrixSignals(true); if (isCrystal()) { m_ui->cellMatrix->setPlainText(matrixToString(m_tempCell.cellMatrix())); } else { enableCellMatrix(false); m_ui->cellMatrix->setPlainText(tr("No unit cell present.")); } blockCellMatrixSignals(false); } void UnitCellDialog::revertFractionalMatrix() { blockFractionalMatrixSignals(true); if (isCrystal()) { m_ui->fractionalMatrix->setPlainText( matrixToString(m_tempCell.fractionalMatrix())); } else { enableFractionalMatrix(false); m_ui->fractionalMatrix->setPlainText(tr("No unit cell present.")); } blockFractionalMatrixSignals(false); } void UnitCellDialog::updateParameters() { const auto a = static_cast(m_ui->a->value()); const auto b = static_cast(m_ui->b->value()); const auto c = static_cast(m_ui->c->value()); assert(a > 0.0 && b > 0.0 && c > 0.0); Core::UnitCell tmp; tmp.setCellParameters(a, b, c, static_cast(m_ui->alpha->value()) * DEG_TO_RAD, static_cast(m_ui->beta->value()) * DEG_TO_RAD, static_cast(m_ui->gamma->value()) * DEG_TO_RAD); if (!tmp.isRegular()) { QMessageBox::warning(nullptr, tr("Unit Cell Editor"), tr("Ignoring singular cell matrix")); return; } m_tempCell = tmp; } void UnitCellDialog::updateCellMatrix() { const Matrix3 tmp = stringToMatrix(m_ui->cellMatrix->toPlainText()); if (!Core::UnitCell::isRegular(tmp)) { QMessageBox::warning(nullptr, tr("Unit Cell Editor"), tr("Ignoring singular cell matrix")); return; } m_tempCell.setCellMatrix(tmp); } void UnitCellDialog::updateFractionalMatrix() { const Matrix3 tmp = stringToMatrix(m_ui->fractionalMatrix->toPlainText()); if (!Core::UnitCell::isRegular(tmp)) { QMessageBox::warning(nullptr, tr("Unit Cell Editor"), tr("Ignoring singular fractional cell matrix")); return; } m_tempCell.setFractionalMatrix(tmp); } bool UnitCellDialog::validateCellMatrix() { return validateMatrixEditor(m_ui->cellMatrix); } bool UnitCellDialog::validateFractionalMatrix() { return validateMatrixEditor(m_ui->fractionalMatrix); } void UnitCellDialog::initializeMatrixEditor(QPlainTextEdit* edit) { #if defined(Q_OS_WIN) || defined(Q_OS_MACOS) QFont font("Courier"); #else QFont font("Monospace"); #endif edit->setFont(font); QFontMetrics metrics(font); int minWidth = 3 * metrics.horizontalAdvance('0') * (MATRIX_WIDTH + 1); int minHeight = metrics.lineSpacing() * 3; edit->setSizePolicy(QSizePolicy::Minimum, QSizePolicy::Minimum); edit->setMinimumSize(minWidth, minHeight); } bool UnitCellDialog::validateMatrixEditor(QPlainTextEdit* edit) { bool valid = stringToMatrix(edit->toPlainText()) != Matrix3::Zero(); QPalette pal = edit->palette(); // get the window text color // works for both dark theme and light theme QColor text = qApp->palette().color(QPalette::WindowText); pal.setColor(QPalette::Text, valid ? text : Qt::red); edit->setPalette(pal); return valid; } QString UnitCellDialog::matrixToString(const Matrix3& mat) { // Transpose into the more intuitive row-vector format. return QString("%1 %2 %3\n%4 %5 %6\n%7 %8 %9") .arg(static_cast(mat(0, 0)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(1, 0)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(2, 0)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(0, 1)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(1, 1)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(2, 1)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(0, 2)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(1, 2)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(2, 2)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC); } Matrix3 UnitCellDialog::stringToMatrix(const QString& str) { Matrix3 result; QStringList lines = str.split('\n'); if (lines.size() != 3) return Matrix3::Zero(); bool ok; int row = 0; int col = 0; foreach (const QString& line, lines) { QStringList values = line.split(MATRIX_SEP, Qt::SkipEmptyParts); if (values.size() != 3) return Matrix3::Zero(); foreach (const QString& value, values) { Real val = static_cast(value.toDouble(&ok)); if (!ok) return Matrix3::Zero(); // Transpose from the more intuitive row-vector format. result(col++, row) = val; } row++; col = 0; } return result; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/unitcelldialog.h000066400000000000000000000044121516317240700301540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_UNITCELLDIALOG_H #define AVOGADRO_QTPLUGINS_UNITCELLDIALOG_H #include #include #include #include class QPlainTextEdit; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class UnitCellDialog; } /** * @brief The UnitCellDialog class provides a dialog for editing a molecule's * unit cell. */ class UnitCellDialog : public QDialog { Q_OBJECT public: enum Mode { Clean, Invalid, Parameters, CellMatrix, FractionalMatrix }; explicit UnitCellDialog(QWidget* parent = nullptr); ~UnitCellDialog() override; void setMolecule(QtGui::Molecule* molecule); public slots: void moleculeChanged(unsigned int changes); void parametersEdited(); void cellMatrixEdited(); void fractionalMatrixEdited(); void apply(); void revert(); private: bool isCrystal() const; void setMode(Mode m); void enableParameters(bool e); void enableCellMatrix(bool e); void enableFractionalMatrix(bool e); void enableApply(bool e); void enableRevert(bool e); void blockParametersSignals(bool e); void blockCellMatrixSignals(bool e); void blockFractionalMatrixSignals(bool e); // m_tempCell --> ui void revertParameters(); void revertCellMatrix(); void revertFractionalMatrix(); // ui --> m_tempCell void updateParameters(); void updateCellMatrix(); void updateFractionalMatrix(); bool validateCellMatrix(); bool validateFractionalMatrix(); static void initializeMatrixEditor(QPlainTextEdit* edit); static bool validateMatrixEditor(QPlainTextEdit* edit); static QString matrixToString(const Matrix3& mat); static Matrix3 stringToMatrix(const QString& str); private: Ui::UnitCellDialog* m_ui; QtGui::Molecule* m_molecule; Core::UnitCell m_tempCell; Mode m_mode; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_UNITCELLDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/unitcelldialog.ui000066400000000000000000000242631516317240700303500ustar00rootroot00000000000000 Avogadro::QtPlugins::UnitCellDialog 0 0 334 453 Unit Cell Editor QFormLayout::FieldGrowthPolicy::AllNonFixedFieldsGrow A: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 5 0.010000000000000 1000000.000000000000000 0.100000000000000 3.000000000000000 B: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 5 0.010000000000000 1000000.000000000000000 0.100000000000000 3.000000000000000 C: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 5 0.010000000000000 1000000.000000000000000 0.100000000000000 3.000000000000000 QFormLayout::FieldGrowthPolicy::AllNonFixedFieldsGrow α: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter β: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter γ: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter ° 5 5.000000000000000 175.000000000000000 90.000000000000000 ° 5 5.000000000000000 175.000000000000000 90.000000000000000 ° 5 5.000000000000000 175.000000000000000 90.000000000000000 Qt::Orientation::Horizontal Cell Matrix: Qt::Orientation::Horizontal Fractional Matrix: Qt::Orientation::Vertical 20 54 Qt::Orientation::Horizontal &Transform Atoms Qt::Orientation::Horizontal 40 20 &Apply &Revert &Hide a b c alpha beta gamma cellMatrix fractionalMatrix apply revert pushButton clicked() Avogadro::QtPlugins::UnitCellDialog hide() 309 404 325 372 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/volumescalingdialog.cpp000066400000000000000000000031371516317240700315430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "volumescalingdialog.h" #include "ui_volumescalingdialog.h" namespace Avogadro::QtPlugins { VolumeScalingDialog::VolumeScalingDialog(QWidget* p) : QDialog(p), m_ui(new Ui::VolumeScalingDialog), m_currentVolume(0.) { m_ui->setupUi(this); connect(m_ui->newVolume, SIGNAL(valueChanged(double)), SLOT(volumeEdited())); connect(m_ui->scalingFactor, SIGNAL(valueChanged(double)), SLOT(factorEdited())); } VolumeScalingDialog::~VolumeScalingDialog() { delete m_ui; } void VolumeScalingDialog::setCurrentVolume(double vol) { m_currentVolume = vol; m_ui->currentVolume->setText(QString::number(vol, 'f', 5)); m_ui->newVolume->setValue(vol); } double VolumeScalingDialog::newVolume() const { return m_ui->newVolume->value(); } bool VolumeScalingDialog::transformAtoms() const { return m_ui->transformAtoms->isChecked(); } void VolumeScalingDialog::volumeEdited() { double v = m_ui->newVolume->value(); m_ui->scalingFactor->blockSignals(true); m_ui->scalingFactor->setValue(v / m_currentVolume); m_ui->scalingFactor->blockSignals(false); } void VolumeScalingDialog::factorEdited() { double f = m_ui->scalingFactor->value(); m_ui->newVolume->blockSignals(true); m_ui->newVolume->setValue(m_currentVolume * f); m_ui->newVolume->blockSignals(false); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/volumescalingdialog.h000066400000000000000000000021611516317240700312040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VOLUMESCALINGDIALOG_H #define AVOGADRO_QTPLUGINS_VOLUMESCALINGDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class VolumeScalingDialog; } /** * @brief The VolumeScalingDialog class provides a dialog with options for * adjusting the volume of a Molecule's UnitCell. */ class VolumeScalingDialog : public QDialog { Q_OBJECT public: explicit VolumeScalingDialog(QWidget* parent = nullptr); ~VolumeScalingDialog() override; void setCurrentVolume(double vol); double newVolume() const; bool transformAtoms() const; private slots: void volumeEdited(); void factorEdited(); private: Ui::VolumeScalingDialog* m_ui; double m_currentVolume; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VOLUMESCALINGDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/crystal/volumescalingdialog.ui000066400000000000000000000116371516317240700314020ustar00rootroot00000000000000 Avogadro::QtPlugins::VolumeScalingDialog 0 0 348 151 Scale Unit Cell Volume Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter New &Volume: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter newVolume &Scaling Factor: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter scalingFactor Current Volume: TextLabel 5 0.010000000000000 9999999.000000000000000 5 0.000010000000000 999999.999990000040270 0.100000000000000 1.000000000000000 Qt::Vertical 20 40 &Transform Atoms Qt::Horizontal 40 20 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok newVolume scalingFactor transformAtoms buttonBox buttonBox accepted() Avogadro::QtPlugins::VolumeScalingDialog accept() 374 222 157 274 buttonBox rejected() Avogadro::QtPlugins::VolumeScalingDialog reject() 385 228 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/customelements/000077500000000000000000000000001516317240700263715ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/customelements/CMakeLists.txt000066400000000000000000000002531516317240700311310ustar00rootroot00000000000000avogadro_plugin(CustomElements "Manipulate custom element types in the current molecule." ExtensionPlugin customelements.h CustomElements "customelements.cpp" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/customelements/customelements.cpp000066400000000000000000000037731516317240700321560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "customelements.h" #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { CustomElements::CustomElements(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_reassignAction(new QAction(tr("Reassign &Custom Elements…"), this)) { connect(m_reassignAction, SIGNAL(triggered()), SLOT(reassign())); updateReassignAction(); } CustomElements::~CustomElements() {} QString CustomElements::description() const { return tr("Manipulate custom element types in the current molecule."); } QList CustomElements::actions() const { return QList() << m_reassignAction; } QStringList CustomElements::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void CustomElements::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateReassignAction(); } } void CustomElements::moleculeChanged(unsigned int c) { auto changes = static_cast(c); if (changes & Molecule::Atoms && (changes & (Molecule::Added | Molecule::Modified))) { updateReassignAction(); } } void CustomElements::reassign() { if (m_molecule) { QtGui::CustomElementDialog::resolve(qobject_cast(parent()), *m_molecule); } } void CustomElements::updateReassignAction() { m_reassignAction->setEnabled(m_molecule && m_molecule->hasCustomElements()); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/customelements/customelements.h000066400000000000000000000023461516317240700316160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CUSTOMELEMENTS_H #define AVOGADRO_QTPLUGINS_CUSTOMELEMENTS_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Manipulate custom element types in the current molecule. */ class CustomElements : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit CustomElements(QObject* parent_ = nullptr); ~CustomElements() override; QString name() const override { return tr("Custom Elements"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void moleculeChanged(unsigned int changes); void reassign(); private: QtGui::Molecule* m_molecule; QAction* m_reassignAction; void updateReassignAction(); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CUSTOMELEMENTS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/dipole/000077500000000000000000000000001516317240700245765ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/dipole/CMakeLists.txt000066400000000000000000000002621516317240700273360ustar00rootroot00000000000000avogadro_plugin(Dipole "Dipole rendering scheme" ScenePlugin dipole.h Dipole dipole.cpp "") target_link_libraries(Dipole PRIVATE Avogadro::Calc Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/dipole/dipole.cpp000066400000000000000000000052741516317240700265660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dipole.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; using Rendering::ArrowGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; Dipole::Dipole(QObject* p) : ScenePlugin(p) { m_layerManager = QtGui::PluginLayerManager(m_name); } Dipole::~Dipole() {} void Dipole::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { // check if the molecule is empty // (single atoms don't have a dipole moment) if (molecule.atomCount() < 2) { return; } // check if the molecule has the dipole set if (!m_customDipole) { if (molecule.hasData("dipoleMoment")) { m_dipoleVector = molecule.data("dipoleMoment").toVector3(); } else { // connect to molecule changes connect(&molecule, &QtGui::Molecule::update, this, &Dipole::updateDipole); connect(&molecule, SIGNAL(changed(unsigned int)), SLOT(updateDipole())); } } else { // custom dipole moment set m_dipoleVector = m_customDipoleVector; } // okay if we have all that, set up the arrow auto* geometry = new GeometryNode; node.addChild(geometry); auto* arrow = new ArrowGeometry; arrow->identifier().molecule = &molecule; arrow->setColor(Vector3ub(255, 0, 0)); geometry->addDrawable(arrow); Vector3f origin = Vector3f::Zero(); arrow->addSingleArrow(m_dipoleVector.cast(), origin); } void Dipole::updateFinished() { m_updateNeeded = true; emit drawablesChanged(); } void Dipole::updateDipole() { QtGui::Molecule* molecule = qobject_cast(sender()); if (molecule == nullptr || molecule->isInteractive()) return; // if the molecule has a dipole moment set, use it if (molecule->hasData("dipoleMoment")) return; // otherwise, calculate it if (m_updateNeeded) { m_updateNeeded = false; m_dipoleVector = Calc::ChargeManager::instance().dipoleMoment(m_type, *molecule); // single-shot QTimer::singleShot(0, this, SLOT(updateFinished())); } } QWidget* Dipole::setupWidget() { return nullptr; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/dipole/dipole.h000066400000000000000000000030331516317240700262220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_DIPOLE_H #define AVOGADRO_QTPLUGINS_DIPOLE_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule dipole moment arrow */ class Dipole : public QtGui::ScenePlugin { Q_OBJECT public: explicit Dipole(QObject* parent = nullptr); ~Dipole() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Dipole Moment"); } QString description() const override { return tr("Render the dipole moment of the molecule."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } QWidget* setupWidget() override; bool hasSetupWidget() const override { return false; } public slots: void updateDipole(); void updateFinished(); private: std::string m_name = "Dipole Moment"; std::string m_type = "MMFF94"; std::vector m_types; Vector3 m_dipoleVector; Vector3 m_customDipoleVector; bool m_customDipole = false; // Custom dipole moment set bool m_updateNeeded = true; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/000077500000000000000000000000001516317240700246105ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/CMakeLists.txt000066400000000000000000000004711516317240700273520ustar00rootroot00000000000000set(editor_srcs editor.cpp editortoolwidget.cpp ) set(editor_uis editortoolwidget.ui ) set(editor_rcs editor.qrc ) avogadro_plugin(Editor "Editor tool" ToolPlugin editor.h Editor "${editor_srcs}" "${editor_uis}" "${editor_rcs}" ) target_link_libraries(Editor PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editor.cpp000066400000000000000000000626531516317240700266160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "editor.h" #include "editortoolwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace { const unsigned char INVALID_ATOMIC_NUMBER = std::numeric_limits::max(); } namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using Avogadro::Core::contrastColor; using Avogadro::Core::Elements; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextProperties; Editor::Editor(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_glWidget(nullptr), m_renderer(nullptr), m_toolWidget(new EditorToolWidget(qobject_cast(parent_))), m_pressedButtons(Qt::NoButton), m_clickedAtomicNumber(INVALID_ATOMIC_NUMBER), m_bondAdded(false), m_fixValenceLater(false), m_layerManager("Editor") { QString shortcut = tr("Ctrl+2", "control-key 2"); m_activateAction->setText(tr("Draw")); m_activateAction->setToolTip( tr("Draw Tool\t(%1)\n\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom") .arg(shortcut)); setIcon(); reset(); } Editor::~Editor() {} void Editor::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/editor_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/editor_light.svg")); } QWidget* Editor::toolWidget() const { return m_toolWidget; } QUndoCommand* Editor::mousePressEvent(QMouseEvent* e) { clearKeyPressBuffer(); if (!m_renderer || !m_molecule) return nullptr; updatePressedButtons(e, false); m_clickPosition = e->pos(); if (m_layerManager.activeLayerLocked()) { // revert to navigation mode return nullptr; } // check if we have modifier keys // if so, revert to navigation mode // e.g., rotate, zoom if (e->modifiers() == Qt::ShiftModifier || e->modifiers() == Qt::AltModifier) return nullptr; if (m_pressedButtons & Qt::LeftButton) { m_clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_clickedObject.type) { case Rendering::InvalidType: m_molecule->beginMergeMode(tr("Draw Atom")); emptyLeftClick(e); return nullptr; case Rendering::AtomType: // We don't know yet if we are drawing a bond/atom or replacing an atom // unfortunately... m_molecule->beginMergeMode(tr("Draw")); atomLeftClick(e); return nullptr; case Rendering::BondType: m_molecule->beginMergeMode(tr("Change Bond Type")); bondLeftClick(e); return nullptr; } } else if (m_pressedButtons & Qt::RightButton) { m_clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_clickedObject.type) { case Rendering::AtomType: m_molecule->beginMergeMode(tr("Remove Atom")); atomRightClick(e); return nullptr; case Rendering::BondType: m_molecule->beginMergeMode(tr("Remove Bond")); bondRightClick(e); return nullptr; default: break; } } return nullptr; } QUndoCommand* Editor::mouseReleaseEvent(QMouseEvent* e) { if (!m_renderer || !m_molecule) return nullptr; if (m_layerManager.activeLayerLocked()) { e->accept(); return nullptr; } updatePressedButtons(e, true); if (m_clickedObject.type == Rendering::InvalidType) return nullptr; switch (e->button()) { case Qt::LeftButton: case Qt::RightButton: reset(); e->accept(); m_molecule->endMergeMode(); // Let's cover all possible changes - the undo stack won't update // without this m_molecule->emitChanged(Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed | Molecule::Modified); break; default: break; } return nullptr; } QUndoCommand* Editor::mouseMoveEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; if (m_pressedButtons & Qt::LeftButton) if (m_clickedObject.type == Rendering::AtomType) { if (m_layerManager.activeLayerLocked()) { e->accept(); return nullptr; } atomLeftDrag(e); } return nullptr; } QUndoCommand* Editor::keyPressEvent(QKeyEvent* e) { if (e->text().isEmpty()) return nullptr; e->accept(); if (m_layerManager.activeLayerLocked()) { return nullptr; } // Set a timer to clear the buffer on first keypress: if (m_keyPressBuffer.isEmpty()) QTimer::singleShot(2000, this, SLOT(clearKeyPressBuffer())); m_keyPressBuffer.append(m_keyPressBuffer.isEmpty() ? e->text().toUpper() : e->text().toLower()); if (m_keyPressBuffer.size() >= 3) { clearKeyPressBuffer(); return nullptr; } bool ok = false; int atomicNum; int bondOrder = m_keyPressBuffer.toInt(&ok); if (ok && bondOrder > 0 && bondOrder <= 4) { m_toolWidget->setBondOrder(static_cast(bondOrder)); } else { atomicNum = Core::Elements::atomicNumberFromSymbol(m_keyPressBuffer.toStdString()); if (atomicNum != Avogadro::InvalidElement) m_toolWidget->setAtomicNumber(static_cast(atomicNum)); } return nullptr; } void Editor::draw(Rendering::GroupNode& node) { if (fabs(m_bondDistance) < 0.3) return; auto* geo = new GeometryNode; node.addChild(geo); // Determine the field width. Negate it to indicate left-alignment. QString distanceLabel = tr("Distance:"); int labelWidth = -distanceLabel.size(); QString overlayText = QString("%1 %L2 Å") .arg(distanceLabel, labelWidth) .arg(m_bondDistance, 9, 'f', 3); Vector3ub color(64, 255, 220); if (m_renderer) { auto backgroundColor = m_renderer->scene().backgroundColor(); color = contrastColor( Vector3ub(backgroundColor[0], backgroundColor[1], backgroundColor[2])); } TextProperties overlayTProp; overlayTProp.setFontFamily(TextProperties::Mono); overlayTProp.setColorRgb(color[0], color[1], color[2]); overlayTProp.setAlign(TextProperties::HLeft, TextProperties::VBottom); auto* label = new TextLabel2D; label->setText(overlayText.toStdString()); label->setTextProperties(overlayTProp); label->setRenderPass(Rendering::Overlay2DPass); label->setAnchor(Vector2i(10, 10)); geo->addDrawable(label); } void Editor::updatePressedButtons(QMouseEvent* e, bool release) { /// @todo Use modifier keys on mac if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); } void Editor::reset() { if (m_fixValenceLater) { Index a1 = m_newObject.index; Index a2 = m_bondedAtom.index; Index a3 = m_clickedObject.index; // don't order them // this caused bug: // https://github.com/OpenChemistry/avogadrolibs/issues/678 /* if (a1 > a2) std::swap(a1, a2); if (a1 > a3) std::swap(a1, a3); if (a2 > a3) std::swap(a2, a3); */ // This preserves the order so they are adjusted in order. // This is important for the undo stack to work correctly. Core::Array atomIds; atomIds.push_back(a3); atomIds.push_back(a2); atomIds.push_back(a1); // This function checks to make sure the ids are valid, so no need // to check out here. m_molecule->adjustHydrogens(atomIds); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Added; changes |= Molecule::Bonds | Molecule::Added | Molecule::Removed; m_molecule->emitChanged(changes); m_fixValenceLater = false; } m_clickedObject = Identifier(); m_newObject = Identifier(); m_bondedAtom = Identifier(); m_clickPosition = QPoint(); m_pressedButtons = Qt::NoButton; m_clickedAtomicNumber = INVALID_ATOMIC_NUMBER; m_bondAdded = false; m_bondDistance = 0.0f; emit drawablesChanged(); } void Editor::emptyLeftClick(QMouseEvent* e) { // Add an atom at the clicked position Vector2f windowPos(e->localPos().x(), e->localPos().y()); Vector3f atomPos = m_renderer->camera().unProject(windowPos); RWAtom newAtom = m_molecule->addAtom(m_toolWidget->atomicNumber(), atomPos.cast()); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; if (m_toolWidget->adjustHydrogens()) { m_fixValenceLater = true; } // Update the clicked object m_clickedObject.type = Rendering::AtomType; m_clickedObject.molecule = m_molecule; m_clickedObject.index = newAtom.index(); // Emit changed signal m_molecule->emitChanged(changes); e->accept(); } void Editor::atomLeftClick(QMouseEvent* e) { RWAtom atom = m_molecule->atom(m_clickedObject.index); if (atom.isValid()) { // Store the original atomic number of the clicked atom before updating it. unsigned char atomicNumber = m_toolWidget->atomicNumber(); if (atom.atomicNumber() != atomicNumber) { // Okay, we're changing this element m_clickedAtomicNumber = atom.atomicNumber(); atom.setAtomicNumber(atomicNumber); const auto& atomBonds = m_molecule->bonds(atom); RWBond bond; if (atomBonds.size() == 1) { // If the clicked atom only has one bond, we can adjust the bond length bond = atomBonds[0]; } else if (atomBonds.size() > 1 && m_toolWidget->adjustHydrogens()) { // loop through to see if there's one bond and *only* one bond // that's not a hydrogen for (const RWBond& b : atomBonds) { RWAtom otherAtom = b.getOtherAtom(atom); if (otherAtom.atomicNumber() != Core::Hydrogen) { if (bond.isValid()) { // More than one non-H bond, so we can't adjust the bond length bond = RWBond(); break; } bond = b; } } } // If we found a valid bond, adjust the bond distance if (bond.isValid()) { RWAtom atom2 = bond.getOtherAtom(atom); m_bondDistance = Elements::radiusCovalent(atomicNumber) + Elements::radiusCovalent(atom2.atomicNumber()); // tweak the bond distance if we have a double or triple bond if (bond.order() == 2) { m_bondDistance *= 0.87; // e.g. C=C vs C-C } else if (bond.order() == 3) { m_bondDistance *= 0.78; // e.g. C#C vs C-C } Vector3 bondVector = atom.position3d() - atom2.position3d(); bondVector.normalize(); bondVector *= m_bondDistance; // okay set my new position Vector3 newPos = atom2.position3d() + bondVector; atom.setPosition3d(newPos); } Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; if (m_toolWidget->adjustHydrogens()) m_fixValenceLater = true; m_molecule->emitChanged(changes); } e->accept(); } } void Editor::bondLeftClick(QMouseEvent* e) { RWBond bond = m_molecule->bond(m_clickedObject.index); bond.setOrder(static_cast((bond.order() % 3) + 1)); Molecule::MoleculeChanges changes = Molecule::Bonds | Molecule::Modified; // see if we should adjust the bond length bool adjustBondLength = false; RWAtom atom1 = bond.atom1(); RWAtom atom2 = bond.atom2(); // Estimate the adjusted bond length Real distance = Elements::radiusCovalent(atom1.atomicNumber()) + Elements::radiusCovalent(atom2.atomicNumber()); // tweak the bond distance if we have a double or triple bond if (bond.order() == 2) { distance *= 0.87; // e.g. C=C vs C-C } else if (bond.order() == 3) { distance *= 0.78; // e.g. C#C vs C-C } // check if at least one of the atoms either has only one bond // or all the other bonds are hydrogens const Core::Array& atom1Bonds = m_molecule->bonds(atom1); const Core::Array& atom2Bonds = m_molecule->bonds(atom2); // if both atoms have only one bond, we're set if (atom1Bonds.size() == 1 && atom2Bonds.size() == 1) { adjustBondLength = true; } else if (atom1Bonds.size() > 1) { // check to see if all the other bonds are hydrogens for (const RWBond& b : atom1Bonds) { RWAtom bondedAtom = b.getOtherAtom(atom1); if (bondedAtom == atom2) continue; // skip the bond we're changing if (bondedAtom.atomicNumber() != Core::Hydrogen) { adjustBondLength = false; break; } adjustBondLength = true; } } // can we move atom1? if (adjustBondLength) { Vector3 bondVector = atom1.position3d() - atom2.position3d(); bondVector.normalize(); bondVector *= distance; // okay move the atom Vector3 newPos = atom2.position3d() + bondVector; m_molecule->setAtomPosition3d(atom1.index(), newPos); changes |= Molecule::Atoms; } else { // instead, check if we can move atom2 for (const RWBond& b : atom2Bonds) { RWAtom bondedAtom = b.getOtherAtom(atom2); if (bondedAtom == atom1) continue; // skip the bond we're changing if (bondedAtom.atomicNumber() != Core::Hydrogen) { adjustBondLength = false; break; } adjustBondLength = true; } if (adjustBondLength) { Vector3 bondVector = atom2.position3d() - atom1.position3d(); bondVector.normalize(); bondVector *= distance; // okay move the atom Vector3 newPos = atom1.position3d() + bondVector; m_molecule->setAtomPosition3d(atom2.index(), newPos); changes |= Molecule::Atoms; } } if (m_toolWidget->adjustHydrogens()) { // change for the new bond order QtGui::HydrogenTools::adjustHydrogens(atom1); QtGui::HydrogenTools::adjustHydrogens(atom2); changes |= Molecule::Atoms | Molecule::Added | Molecule::Removed; } m_molecule->emitChanged(changes); e->accept(); } void Editor::atomRightClick(QMouseEvent* e) { e->accept(); // check to see if we need to adjust hydrogens Core::Array bondedAtoms; Core::Array hToRemove; // atoms to remove RWAtom atom = m_molecule->atom(m_clickedObject.index); if (m_toolWidget->adjustHydrogens()) { // before we remove the atom, we need to delete any H atoms // that are bonded to it -- unless it's a hydrogen atom itself if (atom.isValid() && atom.atomicNumber() != Core::Hydrogen) { // get the list of bonded atoms Core::Array atomBonds = m_molecule->bonds(atom); for (const RWBond& bond : atomBonds) { RWAtom bondedAtom = bond.getOtherAtom(atom); if (bondedAtom.atomicNumber() == Core::Hydrogen) { // remove the H atom hToRemove.push_back(m_molecule->atomUniqueId(bondedAtom)); } else { // save the atom to adjust after we remove the target bondedAtoms.push_back(m_molecule->atomUniqueId(bondedAtom)); } } } } if (atom.isValid()) m_molecule->removeAtom(atom); // remove the hydrogens for (Index hIndex : hToRemove) { RWAtom hAtom = m_molecule->atomByUniqueId(hIndex); if (hAtom.isValid()) { m_molecule->removeAtom(hAtom); } } // okay, now adjust any valence on the bonded atoms // (e.g., add back some hydrogens) for (Index atomIndex : bondedAtoms) { RWAtom atom = m_molecule->atomByUniqueId(atomIndex); if (atom.isValid()) QtGui::HydrogenTools::adjustHydrogens(atom, QtGui::HydrogenTools::Add); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Removed); } void Editor::bondRightClick(QMouseEvent* e) { e->accept(); // see if we need to adjust hydrogens RWBond bond = m_molecule->bond(m_clickedObject.index); RWAtom atom1 = bond.atom1(); RWAtom atom2 = bond.atom2(); m_molecule->removeBond(m_clickedObject.index); if (m_toolWidget->adjustHydrogens()) { QtGui::HydrogenTools::adjustHydrogens(atom1); QtGui::HydrogenTools::adjustHydrogens(atom2); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Bonds | Molecule::Removed); } int expectedBondOrder(RWAtom atom1, RWAtom atom2) { Vector3 bondVector = atom1.position3d() - atom2.position3d(); double bondDistance = bondVector.norm(); double radiiSum; radiiSum = Elements::radiusCovalent(atom1.atomicNumber()) + Elements::radiusCovalent(atom2.atomicNumber()); double ratio = bondDistance / radiiSum; int bondOrder; if (ratio > 1.0) bondOrder = 1; else if (ratio > 0.91 && ratio < 1.0) bondOrder = 2; else bondOrder = 3; return bondOrder; } void Editor::atomLeftDrag(QMouseEvent* e) { // Always accept move events when atoms are clicked: e->accept(); // Build up a MoleculeChanges bitfield Molecule::MoleculeChanges changes = Molecule::NoChange; // Get the list of hits at the current mouse position: const std::multimap hits = m_renderer->hits(e->pos().x(), e->pos().y()); // Check if the previously clicked atom is still under the mouse. float depth = -1.0f; for (const auto& hit : hits) { if (hit.second == m_clickedObject) { depth = hit.first; break; } } // If the clicked atom is under the mouse... if (depth >= 0.f) { // ...and we've created a new atom, remove the new atom and reset the // clicked atom's atomic number if (m_newObject.type == Rendering::AtomType && m_molecule == m_newObject.molecule) { m_molecule->removeAtom(m_newObject.index); changes |= Molecule::Atoms | Molecule::Bonds | Molecule::Removed; m_newObject = Identifier(); RWAtom atom = m_molecule->atom(m_clickedObject.index); if (atom.atomicNumber() != m_toolWidget->atomicNumber()) { m_clickedAtomicNumber = atom.atomicNumber(); atom.setAtomicNumber(m_toolWidget->atomicNumber()); changes |= Molecule::Atoms | Molecule::Modified; } m_molecule->emitChanged(changes); return; } // If there is no new atom, do nothing. return; } // If we get here, the clicked atom is no longer under the cursor. // If the clicked atom's identity has been changed from the initial click, // reset its atomic number if (m_clickedAtomicNumber != INVALID_ATOMIC_NUMBER) { RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); clickedAtom.setAtomicNumber(m_clickedAtomicNumber); m_clickedAtomicNumber = INVALID_ATOMIC_NUMBER; changes |= Molecule::Atoms | Molecule::Modified; } // Does a bonded atom already exist? if (m_bondedAtom.isValid()) { // Is it still under the mouse? depth = -1.0f; for (const auto& hit : hits) { if (hit.second == m_bondedAtom) { depth = hit.first; break; } } // If the bonded atom is no longer under the mouse, remove the bond. if (depth < 0.f) { RWAtom bondedAtom = m_molecule->atom(m_bondedAtom.index); RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); if (m_bondAdded) m_molecule->removeBond(clickedAtom, bondedAtom); changes |= Molecule::Bonds | Molecule::Removed; m_bondedAtom = Identifier(); m_bondAdded = false; } } // Is there another atom under the cursor, besides newAtom? If so, we'll draw // a bond to it. Identifier atomToBond; for (const auto& hit : hits) { const Identifier& ident = hit.second; // Are we on an atom if (ident.type == Rendering::AtomType) // besides the one that was clicked or a new atom if (ident != m_newObject && ident != m_clickedObject) { // then we have an atom that we should be drawing a bond to. atomToBond = ident; break; } } if (atomToBond.isValid() && (atomToBond.index != m_newObject.index)) { // If we have a newAtom, destroy it if (m_newObject.isValid() && m_newObject.type == Rendering::AtomType) { m_molecule->removeAtom(m_newObject.index); changes |= Molecule::Atoms | Molecule::Bonds | Molecule::Removed; m_newObject = Identifier(); } // Skip the rest of this block if atomToBond is already bonded if (m_bondedAtom != atomToBond) { // If the currently bonded atom exists, break the bond if (m_bondedAtom.isValid() && m_clickedObject.isValid() && m_bondedAtom.index < m_molecule->atomCount() && m_clickedObject.index < m_molecule->atomCount() && m_molecule->bond(m_bondedAtom.index, m_clickedObject.index) .isValid()) { if (m_molecule->removeBond(m_molecule->atom(m_bondedAtom.index), m_molecule->atom(m_clickedObject.index))) { changes |= Molecule::Bonds | Molecule::Removed; } m_bondedAtom = Identifier(); } // Create a new bond between clicked atom and atomToBond. RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); RWAtom bondedAtom = m_molecule->atom(atomToBond.index); if (!m_molecule->bond(clickedAtom, bondedAtom).isValid()) { int bondOrder = m_toolWidget->bondOrder(); if (bondOrder == 0) { // automatic - guess the size bondOrder = expectedBondOrder(clickedAtom, bondedAtom); } m_molecule->addBond(clickedAtom, bondedAtom, bondOrder); m_bondAdded = true; } // we have a bond, but it might be the wrong order else { RWBond bond = m_molecule->bond(clickedAtom, bondedAtom); int bondOrder = m_toolWidget->bondOrder(); if (bondOrder == 0) { // automatic - guess the size bondOrder = expectedBondOrder(clickedAtom, bondedAtom); } if (bond.order() != bondOrder) bond.setOrder(bondOrder); } m_bondedAtom = atomToBond; changes |= Molecule::Bonds | Molecule::Added; } m_molecule->emitChanged(changes); return; } // If we make it here, the cursor is not over any existing atom, with the // possible exception of a new atom we've added that's bonded to clicked atom. // We just need to create the new atom (if we haven't already), then update // its position. RWAtom newAtom; if (!m_newObject.isValid()) { // Add a new atom bonded to the clicked atom RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); newAtom = m_molecule->addAtom(m_toolWidget->atomicNumber(), clickedAtom.position3d()); // Handle the automatic bond order int bondOrder = m_toolWidget->bondOrder(); if (bondOrder == 0) { // automatic - guess the size bondOrder = expectedBondOrder(clickedAtom, newAtom); } m_molecule->addBond(clickedAtom, newAtom, bondOrder); // now if we need to adjust hydrogens, do it if (m_toolWidget->adjustHydrogens()) m_fixValenceLater = true; changes |= Molecule::Atoms | Molecule::Bonds | Molecule::Added; m_newObject.type = Rendering::AtomType; m_newObject.index = newAtom.index(); const Core::Molecule* mol = &m_molecule->molecule(); m_newObject.molecule = mol; } else if (m_newObject.type == Rendering::AtomType) { // Grab the previously created atom newAtom = m_molecule->atom(m_newObject.index); } else { // Shouldn't happen qWarning() << "Editor::atomLeftDrag: m_newObject already set and not an " "atom? This is a bug."; } if (newAtom.isValid()) { Vector2f windowPos(e->localPos().x(), e->localPos().y()); Vector3f oldPos(newAtom.position3d().cast()); Vector3f newPos = m_renderer->camera().unProject(windowPos, oldPos); newAtom.setPosition3d(newPos.cast()); changes |= Molecule::Atoms | Molecule::Modified; RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); if (clickedAtom.isValid()) { Vector3f bondVector = clickedAtom.position3d().cast() - newPos; m_bondDistance = bondVector.norm(); // need to check if bond order needs to change if (m_toolWidget->bondOrder() == 0) { // automatic RWBond bond = m_molecule->bond(newAtom, clickedAtom); if (bond.isValid()) { int bondOrder = expectedBondOrder(newAtom, clickedAtom); if (bondOrder != bond.order()) bond.setOrder(bondOrder); changes |= Molecule::Bonds | Molecule::Modified; } } // otherwise see if the bond order is different than what's there else { int bondOrder = m_toolWidget->bondOrder(); RWBond bond = m_molecule->bond(newAtom, clickedAtom); if (bond.isValid() && bondOrder != bond.order()) bond.setOrder(bondOrder); changes |= Molecule::Bonds | Molecule::Modified; } } } m_molecule->emitChanged(changes); return; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editor.h000066400000000000000000000061061516317240700262520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_EDITOR_H #define AVOGADRO_QTPLUGINS_EDITOR_H #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class EditorToolWidget; /** * @class Editor editor.h * @brief The Editor tool extends and modifies molecules. * @author Allison Vacanti */ class Editor : public QtGui::ToolPlugin { Q_OBJECT public: explicit Editor(QObject* parent_ = nullptr); ~Editor() override; QString name() const override { return tr("Editor tool"); } QString description() const override { return tr("Editor tool"); } unsigned char priority() const override { return 20; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private slots: void clearKeyPressBuffer() { m_keyPressBuffer.clear(); } private: /** * Update the currently pressed buttons, accounting for modifier keys. * @todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); /** * Reset all state for this tool. */ void reset(); void emptyLeftClick(QMouseEvent* e); void atomLeftClick(QMouseEvent* e); void bondLeftClick(QMouseEvent* e); void atomRightClick(QMouseEvent* e); void bondRightClick(QMouseEvent* e); void atomLeftDrag(QMouseEvent* e); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; Rendering::GLRenderer* m_renderer; EditorToolWidget* m_toolWidget; Rendering::Identifier m_clickedObject; Rendering::Identifier m_newObject; Rendering::Identifier m_bondedAtom; Qt::MouseButtons m_pressedButtons; QPoint m_clickPosition; unsigned char m_clickedAtomicNumber; bool m_bondAdded; bool m_fixValenceLater; QString m_keyPressBuffer; QtGui::PluginLayerManager m_layerManager; Real m_bondDistance; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NAVIGATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editor.qrc000066400000000000000000000002111516317240700265770ustar00rootroot00000000000000 editor_light.svg editor_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editor_dark.svg000066400000000000000000000005041516317240700276170ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editor_light.svg000066400000000000000000000006661516317240700300160ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editortoolwidget.cpp000066400000000000000000000144721516317240700307140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "editortoolwidget.h" #include "ui_editortoolwidget.h" #include #include #include #include #include #include namespace { // The ItemData of the "Other" entry in the combo box const int ELEMENT_SELECTOR_TAG = 255; } // namespace namespace Avogadro::QtPlugins { EditorToolWidget::EditorToolWidget(QWidget* parent_) : QWidget(parent_), m_ui(new Ui::EditorToolWidget), m_elementSelector(nullptr), m_currentElement(6) { m_ui->setupUi(this); buildElements(); buildBondOrders(); connect(m_ui->element, SIGNAL(currentIndexChanged(int)), this, SLOT(elementChanged(int))); // Show carbon at startup. selectElement(6); } EditorToolWidget::~EditorToolWidget() { delete m_ui; } void EditorToolWidget::setAtomicNumber(unsigned char atomicNum) { selectElement(atomicNum); if (m_elementSelector) m_elementSelector->setElement(static_cast(atomicNum)); } unsigned char EditorToolWidget::atomicNumber() const { int curIndex = m_ui->element->currentIndex(); QVariant itemData = m_ui->element->itemData(curIndex); if (!itemData.isValid()) return 0; auto atomicNum = static_cast(itemData.toUInt()); // "Other…" selected.... if (atomicNum == 0 && m_elementSelector) atomicNum = static_cast(m_elementSelector->element()); return atomicNum; } void EditorToolWidget::setBondOrder(unsigned char order) { if (order < m_ui->bondOrder->count()) m_ui->bondOrder->setCurrentIndex(static_cast(order)); } unsigned char EditorToolWidget::bondOrder() const { return static_cast(m_ui->bondOrder->currentIndex()); } bool EditorToolWidget::adjustHydrogens() const { return m_ui->adjustHydrogens->isChecked(); } void EditorToolWidget::elementChanged(int index) { QVariant itemData = m_ui->element->itemData(index); if (itemData.isValid()) { if (itemData.toInt() == ELEMENT_SELECTOR_TAG) { if (!m_elementSelector) { m_elementSelector = new QtGui::PeriodicTableView(this); connect(m_elementSelector, SIGNAL(elementChanged(int)), this, SLOT(elementSelectedFromTable(int))); } m_elementSelector->setElement(m_currentElement); m_elementSelector->show(); } else { if (m_elementSelector) m_elementSelector->setElement(itemData.toInt()); m_currentElement = static_cast(itemData.toInt()); } } } void EditorToolWidget::updateElementCombo() { // Build set of all elements: QList allElements; allElements << m_defaultElements; allElements << m_userElements; std::sort(allElements.begin(), allElements.end()); // Cache selected atomic number for later QVariant selectedData; int curIndex = m_ui->element->currentIndex(); if (curIndex >= 0) selectedData = m_ui->element->itemData(curIndex); // Clear and repopulate combo m_ui->element->clear(); foreach (unsigned char atomicNum, allElements) { m_ui->element->addItem(QString("%1 (%2)") .arg(QtGui::ElementTranslator::name(atomicNum)) .arg(atomicNum), atomicNum); } m_ui->element->insertSeparator(m_ui->element->count()); m_ui->element->addItem(tr("Other…"), ELEMENT_SELECTOR_TAG); // Reset the element if it still exists selectElement(static_cast( selectedData.isValid() ? selectedData.toInt() : -1)); } void EditorToolWidget::addUserElement(unsigned char element) { // Never add any of the common elements to the user list. if (m_defaultElements.contains(element)) return; // If the element is already in the user list, move it to the back of the // list. if (m_userElements.removeOne(element)) { m_userElements << element; return; } m_userElements << element; // Limit the number of user elements /// @todo Make this number of user elements configurable. while (m_userElements.size() > 15) m_userElements.pop_front(); updateElementCombo(); saveElements(); } void EditorToolWidget::elementSelectedFromTable(int element) { addUserElement(static_cast(element)); selectElement(static_cast(element)); } void EditorToolWidget::selectElement(unsigned char element) { int curIndex = element > 0 ? m_ui->element->findData(element) : -1; if (curIndex >= 0) m_ui->element->setCurrentIndex(curIndex); else { addUserElement(element); curIndex = m_ui->element->findData(element); if (curIndex >= 0) m_ui->element->setCurrentIndex(curIndex); // if we can't find it after adding it, something is very wrong! } } void EditorToolWidget::buildElements() { // Common elements that are always shown in the combo box. if (m_defaultElements.isEmpty()) { m_defaultElements.append(1); // Hydrogen m_defaultElements.append(5); // Boron m_defaultElements.append(6); // Carbon m_defaultElements.append(7); // Nitrogen m_defaultElements.append(8); // Oxygen m_defaultElements.append(9); // Fluorine m_defaultElements.append(15); // Phosphorus m_defaultElements.append(16); // Sulfur m_defaultElements.append(17); // Chlorine m_defaultElements.append(35); // Bromine } // User-added elements QVariantList userElementsVar = QSettings().value("editortool/userElements").toList(); foreach (const QVariant& var, userElementsVar) m_userElements << static_cast(var.toUInt()); updateElementCombo(); } void EditorToolWidget::buildBondOrders() { m_ui->bondOrder->clear(); m_ui->bondOrder->addItem(tr("Automatic"), 0); m_ui->bondOrder->addItem(tr("Single"), 1); m_ui->bondOrder->addItem(tr("Double"), 2); m_ui->bondOrder->addItem(tr("Triple"), 3); } void EditorToolWidget::saveElements() { QVariantList atomicNums; for (unsigned char m_userElement : m_userElements) atomicNums << QVariant(m_userElement); QSettings().setValue("editortool/userElements", atomicNums); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editortoolwidget.h000066400000000000000000000027231516317240700303550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_EDITORTOOLWIDGET_H #define AVOGADRO_QTPLUGINS_EDITORTOOLWIDGET_H #include namespace Avogadro { namespace QtGui { class PeriodicTableView; } namespace QtPlugins { namespace Ui { class EditorToolWidget; } class EditorToolWidget : public QWidget { Q_OBJECT public: explicit EditorToolWidget(QWidget* parent_ = nullptr); ~EditorToolWidget() override; void setAtomicNumber(unsigned char atomicNum); unsigned char atomicNumber() const; void setBondOrder(unsigned char order); unsigned char bondOrder() const; bool adjustHydrogens() const; private slots: void elementChanged(int index); void updateElementCombo(); void addUserElement(unsigned char element); void elementSelectedFromTable(int element); void selectElement(unsigned char element); private: void buildElements(); void buildBondOrders(); void saveElements(); Ui::EditorToolWidget* m_ui; QtGui::PeriodicTableView* m_elementSelector; QList m_defaultElements; QList m_userElements; unsigned char m_currentElement; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_EDITORTOOLWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/editor/editortoolwidget.ui000066400000000000000000000025621516317240700305440ustar00rootroot00000000000000 Avogadro::QtPlugins::EditorToolWidget 0 0 400 300 Form QFormLayout::ExpandingFieldsGrow Element: Bond Order: Adjust Hydrogens true OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/fetchpdb/000077500000000000000000000000001516317240700251015ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/fetchpdb/CMakeLists.txt000066400000000000000000000005041516317240700276400ustar00rootroot00000000000000set(srcs fetchpdb.cpp ) avogadro_plugin(FetchPDB "Fetch PDB" ExtensionPlugin fetchpdb.h FetchPDB "${srcs}" "" ) target_link_libraries(FetchPDB PRIVATE Avogadro::IO Qt::Network) if(WIN32) # for https support target_link_libraries(FetchPDB PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/fetchpdb/fetchpdb.cpp000066400000000000000000000110151516317240700273620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fetchpdb.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { FetchPDB::FetchPDB(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_network(nullptr), m_progressDialog(nullptr) { m_action->setEnabled(true); m_action->setText("Fetch from &PDB…"); m_action->setProperty("menu priority", 180); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } FetchPDB::~FetchPDB() {} QList FetchPDB::actions() const { return QList() << m_action; } QStringList FetchPDB::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Import"); } void FetchPDB::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool FetchPDB::readMolecule(QtGui::Molecule& mol) { if (m_moleculeData.isEmpty() || m_moleculeName.isEmpty()) return false; bool readOK = Io::FileFormatManager::instance().readFile( mol, m_tempFileName.toStdString(), "pdb"); if (readOK) // worked, so set the filename mol.setData("name", m_moleculeName.toStdString()); else // if it didn't read, show a dialog QMessageBox::warning( qobject_cast(parent()), tr("Fetch PDB"), tr("Could not read the PDB molecule: %1").arg(m_moleculeName)); return readOK; } void FetchPDB::showDialog() { // Prompt for a chemical structure name bool ok; QString pdbCode = QInputDialog::getText( qobject_cast(parent()), tr("PDB Code"), tr("Chemical structure to download."), QLineEdit::Normal, "", &ok); if (!ok || pdbCode.isEmpty()) return; // check if the PDB code matches the expected format if (pdbCode.length() != 4) { QMessageBox::warning(qobject_cast(parent()), tr("Invalid PDB Code"), tr("The PDB code must be exactly 4 characters long.")); return; } // first character should be 1-9 if (!pdbCode.at(0).isDigit() || pdbCode.at(0).toLatin1() == '0') { QMessageBox::warning( qobject_cast(parent()), tr("Invalid PDB Code"), tr("The first character of the PDB code must be 1-9.")); return; } if (!m_network) { m_network = new QNetworkAccessManager(this); connect(m_network, SIGNAL(finished(QNetworkReply*)), this, SLOT(replyFinished(QNetworkReply*))); } // Hard coding the PDB download URL m_network->get(QNetworkRequest( QUrl("https://files.rcsb.org/download/" + pdbCode + ".pdb"))); if (!m_progressDialog) { m_progressDialog = new QProgressDialog(qobject_cast(parent())); } m_moleculeName = pdbCode; m_progressDialog->setLabelText(tr("Querying for %1").arg(pdbCode)); m_progressDialog->setRange(0, 0); m_progressDialog->show(); } void FetchPDB::replyFinished(QNetworkReply* reply) { m_progressDialog->hide(); // Read in all the data if (!reply->isReadable()) { QMessageBox::warning(qobject_cast(parent()), tr("Network Download Failed"), tr("Network timeout or other error.")); reply->deleteLater(); return; } m_moleculeData = reply->readAll(); // Check if the file was successfully downloaded if (m_moleculeData.contains("Not Found") || m_moleculeData.contains("Error report") || m_moleculeData.contains("Page not found (404)")) { QMessageBox::warning( qobject_cast(parent()), tr("Network Download Failed"), tr("Specified molecule could not be found: %1").arg(m_moleculeName)); reply->deleteLater(); return; } m_tempFileName = QDir::tempPath() + QDir::separator() + m_moleculeName + ".pdb"; QFile out(m_tempFileName); if (!out.open(QIODevice::WriteOnly)) { QMessageBox::warning(qobject_cast(parent()), tr("Error"), tr("Cannot save file %1.").arg(m_tempFileName)); return; } out.write(m_moleculeData); out.close(); emit moleculeReady(1); reply->deleteLater(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/fetchpdb/fetchpdb.h000066400000000000000000000031661516317240700270370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FETCHPDB_H #define AVOGADRO_QTPLUGINS_FETCHPDB_H #include #include #include class QNetworkAccessManager; class QNetworkReply; class QProgressDialog; namespace Avogadro { namespace QtPlugins { /** * @brief Queries online databases (currently the NIH structure resolver) and * loads the returned structure if one is found. */ class FetchPDB : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit FetchPDB(QObject* parent = nullptr); ~FetchPDB() override; QString name() const override { return tr("Fetch from PDB"); } QString description() const override { return tr("Download PDB models from the Protein Data Bank"); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void showDialog(); void replyFinished(QNetworkReply*); private: QAction* m_action; QtGui::Molecule* m_molecule; QNetworkAccessManager* m_network; QString m_moleculeName; QByteArray m_moleculeData; QProgressDialog* m_progressDialog; QString m_tempFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FETCHPDB_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/focus/000077500000000000000000000000001516317240700244415ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/focus/CMakeLists.txt000066400000000000000000000002611516317240700272000ustar00rootroot00000000000000avogadro_plugin(Focus "Focus the view on specific features." ExtensionPlugin focus.h Focus "focus.cpp" "" ) target_link_libraries(Focus PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/focus/focus.cpp000066400000000000000000000073011516317240700262650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "focus.h" #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::QtGui::ExtensionPlugin; Focus::Focus(QObject* parent_) : ExtensionPlugin(parent_), m_focusSelectionAction(new QAction(tr("Focus Selection"), this)), m_unfocusAction(new QAction(tr("Unfocus"), this)) { m_focusSelectionAction->setProperty("menu priority", 200); m_unfocusAction->setProperty("menu priority", 200); connect(m_focusSelectionAction, SIGNAL(triggered()), SLOT(focusSelection())); connect(m_unfocusAction, SIGNAL(triggered()), SLOT(unfocus())); } Focus::~Focus() {} QList Focus::actions() const { QList result; return result << m_focusSelectionAction << m_unfocusAction; } QStringList Focus::menuPath(QAction*) const { return QStringList() << tr("&View"); } void Focus::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Focus::setCamera(Rendering::Camera* camera) { m_camera = camera; } void Focus::setScene(Rendering::Scene* scene) { m_scene = scene; } void Focus::setActiveWidget(QWidget* widget) { if (widget != nullptr) { m_glWidget = widget; connect(this, SIGNAL(updateRequested()), m_glWidget, SLOT(requestUpdate())); } } void Focus::newFocus(Eigen::Vector3f point, float distance) { Eigen::Vector3f cameraPoint = -m_camera->modelView().translation(); Eigen::Vector3f vectorOfSight = point - cameraPoint; float currentDistance = vectorOfSight.norm(); float scaleFactor = distance / currentDistance; vectorOfSight *= 1.0f - scaleFactor; cameraPoint += vectorOfSight; m_camera->setIdentity(); m_camera->lookAt(cameraPoint, point, Eigen::Vector3f(0, 1, 0)); m_camera->setFocus(point); // if orthographic, adjust the scale if (m_camera->projectionType() == Rendering::Projection::Orthographic) { m_camera->setOrthographicScale(scaleFactor * 0.85f); } } void Focus::focusSelection() { if (!m_molecule || !m_camera) return; if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return; if (m_molecule->isSelectionEmpty()) return; Eigen::Vector3f selectionCenter(0, 0, 0); std::vector selection; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { selectionCenter += m_molecule->atomPosition3d(i).cast(); selection.push_back(i); } } selectionCenter /= selection.size(); float selectionRadius = 0.0f; for (Index i : selection) { Eigen::Vector3f pos = m_molecule->atomPosition3d(i).cast(); float distance = (pos - selectionCenter).norm(); if (distance > selectionRadius) selectionRadius = distance; } newFocus(selectionCenter, selectionRadius + 10.0f); emit updateRequested(); } void Focus::unfocus() { if (!m_camera || !m_scene) return; // same as glrenderer resetCamera auto center = m_scene->center(); auto radius = 1.5f * m_scene->radius(); m_camera->setFocus(center); m_camera->setIdentity(); m_camera->translate(-center); m_camera->preTranslate(-radius * Vector3f::UnitZ()); if (m_camera->projectionType() == Rendering::Projection::Orthographic) { // We want the scene radius to fit comfortably with some padding float optimalScale = radius / 10.0f; m_camera->setOrthographicScale(optimalScale); } emit updateRequested(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/focus/focus.h000066400000000000000000000031731516317240700257350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FOCUS_H #define AVOGADRO_QTPLUGINS_FOCUS_H #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The Focus class is an extension to center the camera in the best * fit panel or the default camera position */ class Focus : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Focus(QObject* parent_ = nullptr); ~Focus() override; QString name() const override { return tr("Focus"); } QString description() const override { return tr("Focus the view on specific features."); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setCamera(Rendering::Camera* camera) override; void setScene(Rendering::Scene* scene) override; void setActiveWidget(QWidget* widget) override; signals: void updateRequested(); private slots: void focusSelection(); void unfocus(); private: QtGui::Molecule* m_molecule; Rendering::Camera* m_camera; Rendering::Scene* m_scene; QWidget* m_glWidget; QAction* m_focusSelectionAction; QAction* m_unfocusAction; void newFocus(Eigen::Vector3f point, float distance); }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/force/000077500000000000000000000000001516317240700244205ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/force/CMakeLists.txt000066400000000000000000000002351516317240700271600ustar00rootroot00000000000000avogadro_plugin(Force "Force rendering scheme" ScenePlugin force.h Force force.cpp "") target_link_libraries(Force PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/force/force.cpp000066400000000000000000000031341516317240700262230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "force.h" #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; using Rendering::ArrowGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; Force::Force(QObject* p) : ScenePlugin(p) { m_layerManager = QtGui::PluginLayerManager(m_name); } Force::~Force() {} void Force::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* arrows = new ArrowGeometry; arrows->identifier().molecule = &molecule; geometry->addDrawable(arrows); for (Index i = 0; i < molecule.atomCount(); ++i) { if (!m_layerManager.atomEnabled(i)) continue; // ignore hidden atoms Core::Atom atom1 = molecule.atom(i); Vector3f pos1 = atom1.position3d().cast(); Vector3f forceVector = atom1.forceVector().cast(); arrows->addSingleArrow(pos1, pos1 + forceVector); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/force/force.h000066400000000000000000000022261516317240700256710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FORCE_H #define AVOGADRO_QTPLUGINS_FORCE_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule in the wireframe style. */ class Force : public QtGui::ScenePlugin { Q_OBJECT public: explicit Force(QObject* parent = nullptr); ~Force() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Force"); } QString description() const override { return tr( "Render the force field visualizations for the atoms of the molecule."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } private: std::string m_name = "Force"; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/000077500000000000000000000000001516317240700254245ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/CMakeLists.txt000066400000000000000000000022241516317240700301640ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Gui REQUIRED) endif() set(forcefield_srcs forcefield.cpp forcefielddialog.cpp obmmenergy.cpp scriptenergy.cpp ) if (BUILD_GPL_PLUGINS) find_package(OpenBabel3) if (OpenBabel3_LIBRARIES) list(APPEND forcefield_srcs obenergy.cpp ) add_definitions(-DBUILD_GPL_PLUGINS) include_directories(${OpenBabel3_INCLUDE_DIRS} ${OpenBabel3_INCLUDE_DIR} ${AvogadroLibs_BINARY_DIR}/../prefix/include/openbabel3) endif() endif() avogadro_plugin(Forcefield "Force field optimization and dynamics" ExtensionPlugin forcefield.h Forcefield "${forcefield_srcs}" forcefielddialog.ui ) target_link_libraries(Forcefield PRIVATE Avogadro::Calc Avogadro::QtGui) if(QT_VERSION EQUAL 6) target_link_libraries(Forcefield PRIVATE Qt6::Gui) endif() if (BUILD_GPL_PLUGINS AND OpenBabel3_LIBRARIES) target_link_libraries(Forcefield PRIVATE OpenBabel3) endif() if (NOT BUILD_GPL_PLUGINS) # install the OB / Pybel forcefield scripts list(APPEND forcefields scripts/gaff.py scripts/mmff94.py scripts/uff.py ) endif() # Don't install any scripts - we'll use these as plugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/forcefield.cpp000066400000000000000000000654741516317240700302520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "forcefield.h" #include "forcefielddialog.h" #include "obmmenergy.h" #include "scriptenergy.h" #ifdef BUILD_GPL_PLUGINS #include "obenergy.h" #endif #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { using Avogadro::Calc::EnergyCalculator; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWMolecule; const int energyAction = 0; const int optimizeAction = 1; const int configureAction = 2; const int freezeAction = 3; const int unfreezeAction = 4; const int constraintAction = 5; const int forcesAction = 6; const int fuseAction = 7; const int unfuseAction = 8; Forcefield::Forcefield(QObject* parent_) : ExtensionPlugin(parent_), m_method(nullptr) { QSettings settings; settings.beginGroup("forcefield"); m_autodetect = settings.value("autodetect", true).toBool(); m_methodName = settings.value("forcefield", "LJ").toString().toStdString(); m_nSteps = settings.value("steps", 10).toInt(); m_maxSteps = settings.value("maxSteps", 250).toInt(); m_tolerance = settings.value("tolerance", 1.0e-4).toDouble(); m_gradientTolerance = settings.value("gradientTolerance", 1.0e-4).toDouble(); m_modelUserOptions = settings.value("modelUserOptions").toMap(); settings.endGroup(); QAction* action = new QAction(this); action->setEnabled(true); action->setText(tr("Optimize Geometry")); action->setShortcut(QKeySequence("Ctrl+Alt+O")); action->setData(optimizeAction); action->setProperty("menu priority", 920); connect(action, SIGNAL(triggered()), SLOT(optimize())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Energy")); // calculate energy action->setData(energyAction); action->setProperty("menu priority", 910); connect(action, SIGNAL(triggered()), SLOT(energy())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Forces")); // calculate gradients action->setData(forcesAction); action->setProperty("menu priority", 910); connect(action, SIGNAL(triggered()), SLOT(forces())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Configure…")); action->setData(configureAction); action->setProperty("menu priority", 900); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.push_back(action); action = new QAction(this); action->setSeparator(true); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Freeze Selected Atoms")); action->setData(freezeAction); action->setProperty("menu priority", 790); connect(action, SIGNAL(triggered()), SLOT(freezeSelected())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Freeze X", "freeze x-axis of selected atoms")); action->setData(unfreezeAction); action->setProperty("menu priority", 788); connect(action, SIGNAL(triggered()), SLOT(freezeX())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Freeze Y", "freeze y-axis of selected atoms")); action->setData(unfreezeAction); action->setProperty("menu priority", 787); connect(action, SIGNAL(triggered()), SLOT(freezeY())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Freeze Z", "freeze z-axis of selected atoms")); action->setData(unfreezeAction); action->setProperty("menu priority", 786); connect(action, SIGNAL(triggered()), SLOT(freezeZ())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Unfreeze Selected Atoms")); action->setData(unfreezeAction); action->setProperty("menu priority", 780); connect(action, SIGNAL(triggered()), SLOT(unfreezeSelected())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText( tr("Fuse Selected Atoms", "freeze atomic distances / glue atoms together")); action->setData(fuseAction); action->setProperty("menu priority", 770); connect(action, SIGNAL(triggered()), SLOT(fuseSelected())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Unfuse Selected Atoms", "freeze atomic distances / glue atoms together")); action->setData(unfuseAction); action->setProperty("menu priority", 760); connect(action, SIGNAL(triggered()), SLOT(unfuseSelected())); m_actions.push_back(action); // initialize the calculators // prefer to use Python interface scripts if available refreshScripts(); // Connect to PackageManager for pyproject.toml-based packages auto* pm = QtGui::PackageManager::instance(); connect(pm, &QtGui::PackageManager::featureRegistered, this, &Forcefield::registerFeature); connect(pm, &QtGui::PackageManager::featureRemoved, this, &Forcefield::unregisterFeature); // add the openbabel calculators in case they don't exist #ifdef BUILD_GPL_PLUGINS // These directly use Open Babel and are fast qDebug() << " registering GPL plugins"; // sanity check, try an energy for a (bad) water molecule Molecule water; water.addAtom(6); water.addAtom(1); water.addAtom(1); water.addBond(0, 1); water.addBond(0, 2); auto ob = new OBEnergy("MMFF94"); ob->setMolecule(&water); Eigen::VectorXd positions(3 * 3); positions << 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0; Real energy = ob->value(positions); if (energy != 0.0) { Calc::EnergyManager::registerModel(ob); } else { delete ob; } // check GAFF ob = new OBEnergy("GAFF"); ob->setMolecule(&water); energy = ob->value(positions); if (energy != 0.0) { Calc::EnergyManager::registerModel(ob); } else { delete ob; } #else // These call obmm and can be slower qDebug() << " registering obmm plugins"; Calc::EnergyManager::registerModel(new OBMMEnergy("MMFF94")); Calc::EnergyManager::registerModel(new OBMMEnergy("GAFF")); #endif } Forcefield::~Forcefield() { cleanupWorker(); } QList Forcefield::actions() const { return m_actions; } QStringList Forcefield::menuPath(QAction* action) const { QStringList path; if (action->data().toInt() == optimizeAction) path << tr("&Extensions"); else path << tr("&Extensions") << tr("&Calculate"); return path; } void Forcefield::showDialog() { QStringList forceFields; QVariantMap modelUserOptionSchemas; auto list = Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); for (auto option : list) { const QString optionName = option.c_str(); forceFields << optionName; QScopedPointer model( Calc::EnergyManager::instance().model(option)); if (model) { const std::string schema = model->userOptions(); if (!schema.empty()) modelUserOptionSchemas.insert(optionName, QString::fromStdString(schema)); } } QSettings settings; QVariantMap options; options["forcefield"] = m_methodName.c_str(); options["nSteps"] = m_nSteps; options["maxSteps"] = m_maxSteps; options["tolerance"] = m_tolerance; options["gradientTolerance"] = m_gradientTolerance; options["autodetect"] = m_autodetect; options["modelUserOptions"] = m_modelUserOptions; options["modelUserOptionsSchemas"] = modelUserOptionSchemas; QVariantMap results = ForceFieldDialog::prompt( nullptr, forceFields, options, recommendedForceField().c_str()); if (!results.isEmpty()) { // update settings settings.beginGroup("forcefield"); m_methodName = results["forcefield"].toString().toStdString(); settings.setValue("forcefield", m_methodName.c_str()); m_maxSteps = results["maxSteps"].toInt(); settings.setValue("maxSteps", m_maxSteps); m_tolerance = results["tolerance"].toDouble(); settings.setValue("tolerance", m_tolerance); m_gradientTolerance = results["gradientTolerance"].toDouble(); settings.setValue("gradientTolerance", m_gradientTolerance); m_autodetect = results["autodetect"].toBool(); settings.setValue("autodetect", m_autodetect); m_modelUserOptions = results["modelUserOptions"].toMap(); settings.setValue("modelUserOptions", m_modelUserOptions); settings.endGroup(); } setupMethod(); } void Forcefield::setMolecule(QtGui::Molecule* mol) { if (mol == nullptr || m_molecule == mol) return; m_molecule = mol; // TODO: connect to molecule changes, e.g. selection // connect(m_molecule, SIGNAL(changed(uint)), SLOT(updateActions())); } void Forcefield::updateActions() { if (m_molecule == nullptr) return; bool noSelection = m_molecule->isSelectionEmpty(); foreach (QAction* action, m_actions) { switch (action->data().toInt()) { case freezeAction: case unfreezeAction: case fuseAction: case unfuseAction: action->setEnabled(!noSelection); break; default: break; } } } void Forcefield::setupMethod() { if (m_molecule == nullptr) return; // nothing to do until its set if (m_autodetect) m_methodName = recommendedForceField(); // check if m_methodName even exists (e.g., saved preference) // or if that method doesn't work for this (e.g., unit cell, etc.) auto list = Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); bool found = false; for (auto option : list) { if (option == m_methodName) { found = true; break; } } // fall back to recommended if not found (LJ will always work) if (!found) { m_methodName = recommendedForceField(); } if (m_method != nullptr) { delete m_method; // delete the previous one } m_method = Calc::EnergyManager::instance().model(m_methodName); if (m_method != nullptr) { const QString methodId = QString::fromStdString(m_methodName); const QString modelOptions = m_modelUserOptions.value(methodId).toString(); if (!modelOptions.trimmed().isEmpty() && !m_method->setUserOptions(modelOptions.toStdString())) { qWarning() << "Failed to parse user options for force field" << methodId; } m_method->setMolecule(m_molecule); } } void Forcefield::setupConstraints() { if (m_molecule == nullptr || m_method == nullptr) return; // nothing to do auto n = m_molecule->atomCount(); // first set the frozen coordinate mask auto mask = m_molecule->frozenAtomMask(); if (mask.rows() != static_cast(3 * n)) { // set the mask to all ones mask = Eigen::VectorXd::Ones(static_cast(3 * n)); } m_method->setMolecule(m_molecule); m_method->setMask(mask); // now set the constraints m_method->setConstraints(m_molecule->constraints()); } void Forcefield::cleanupWorker() { if (m_workerThread) { m_workerThread->quit(); m_workerThread->wait(5000); // deleteLater handles the worker and thread via finished() connections m_workerThread = nullptr; m_worker = nullptr; } if (m_progressDialog) { m_progressDialog->hide(); m_progressDialog->deleteLater(); m_progressDialog = nullptr; } m_optimizing = false; } void Forcefield::startWorker() { cleanupWorker(); auto n = m_molecule->atomCount(); // Build the frozen atom mask auto mask = m_molecule->frozenAtomMask(); if (mask.rows() != static_cast(3 * n)) mask = Eigen::VectorXd::Ones(static_cast(3 * n)); auto constraints = m_molecule->constraints(); // Create a fresh calculator clone for the worker thread auto* calc = Calc::EnergyManager::instance().model(m_methodName); if (calc == nullptr) return; // Apply user options to the clone const QString methodId = QString::fromStdString(m_methodName); const QString modelOptions = m_modelUserOptions.value(methodId).toString(); if (!modelOptions.trimmed().isEmpty()) calc->setUserOptions(modelOptions.toStdString()); // Create a molecule snapshot (topology only, positions set separately) Core::Molecule snapshot = static_cast(*m_molecule); // Set up the worker thread m_workerThread = new QThread(this); m_worker = new QtGui::CalcWorker(); m_worker->moveToThread(m_workerThread); connect(m_workerThread, &QThread::finished, m_worker, &QObject::deleteLater); m_workerThread->start(); // Store args for initCalculator — caller must connect signals first, // then invoke initCalculator via sendInitCalculator(). m_pendingCalc = calc; m_pendingSnapshot = snapshot; m_pendingMask = mask; m_pendingConstraints = constraints; } void Forcefield::sendInitCalculator() { if (!m_worker || !m_pendingCalc) return; QMetaObject::invokeMethod( m_worker, "initCalculator", Qt::QueuedConnection, Q_ARG(Avogadro::Calc::EnergyCalculator*, m_pendingCalc), Q_ARG(Avogadro::Core::Molecule, m_pendingSnapshot), Q_ARG(Eigen::VectorXd, m_pendingMask), Q_ARG(std::vector, m_pendingConstraints)); m_pendingCalc = nullptr; } void Forcefield::optimize() { if (m_molecule == nullptr || m_optimizing) return; if (m_method == nullptr) setupMethod(); if (m_method == nullptr) return; if (!m_molecule->atomCount()) { QMessageBox::information(nullptr, tr("Avogadro"), tr("No atoms provided for optimization")); return; } m_currentStep = 0; // merge all coordinate updates into one undo step m_molecule->undoMolecule()->setInteractive(true); // Set up optimization options m_optOptions.algorithm = Calc::OptimizationAlgorithm::Lbfgs; m_optOptions.chunkIterations = 5; // Snapshot current positions auto n = m_molecule->atomCount(); Core::Array pos = m_molecule->atomPositions3d(); Eigen::Map map(pos[0].data(), 3 * n); m_lastPositions = map; m_lastEnergy = 0.0; // Start the worker first (calls cleanupWorker() which resets m_optimizing) startWorker(); // Set m_optimizing AFTER startWorker, since cleanupWorker resets it m_optimizing = true; // Create progress dialog int totalChunks = static_cast(m_maxSteps / m_optOptions.chunkIterations); m_progressDialog = new QProgressDialog(qobject_cast(this->parent())); m_progressDialog->setWindowTitle(tr("Optimize Geometry")); // cancel button text is set automatically m_progressDialog->setRange(0, totalChunks); m_progressDialog->setWindowModality(Qt::WindowModal); m_progressDialog->setMinimumDuration(0); m_progressDialog->show(); connect(m_progressDialog, &QProgressDialog::canceled, this, [this]() { if (m_worker) m_worker->cancel(); cleanupWorker(); if (m_molecule) m_molecule->undoMolecule()->setInteractive(false); }); connect(m_worker, &QtGui::CalcWorker::calculatorReady, this, &Forcefield::onWorkerReady); connect(m_worker, &QtGui::CalcWorker::optimizeFinished, this, &Forcefield::onOptimizeChunkDone); sendInitCalculator(); } void Forcefield::onWorkerReady() { if (!m_optimizing || !m_worker) return; // Send the first optimization chunk QMetaObject::invokeMethod( m_worker, "runOptimizeChunk", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, m_lastPositions), Q_ARG(Avogadro::Calc::OptimizationOptions, m_optOptions)); } void Forcefield::onOptimizeChunkDone(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged) { if (!m_optimizing || m_molecule == nullptr) return; auto n = m_molecule->atomCount(); m_currentStep++; if (m_progressDialog) { m_progressDialog->setValue(m_currentStep); m_progressDialog->setLabelText( tr("Energy: %L1", "force field energy").arg(energy, 0, 'f', 3)); } #ifndef NDEBUG qDebug() << " optimize " << m_currentStep << energy << " gradNorm: " << gradient.norm(); #endif // Update coordinates if valid if (std::isfinite(energy) && positions.allFinite()) { Core::Array pos(n); Eigen::Map(pos[0].data(), 3 * n) = positions; Core::Array forces(n); if (gradient.size() == 3 * static_cast(n)) Eigen::Map(forces[0].data(), 3 * n) = -gradient; m_molecule->undoMolecule()->setAtomPositions3d(pos, tr("Optimize Geometry")); m_molecule->setForceVectors(forces); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; m_molecule->emitChanged(changes); m_lastPositions = positions; } else { qDebug() << "Non-finite energy, stopping optimization" << energy; converged = true; } // Check convergence criteria bool done = converged; if (!done && gradient.size() > 0) { if (fabs(gradient.maxCoeff()) < m_gradientTolerance) done = true; if (m_lastEnergy != 0.0 && fabs(energy - m_lastEnergy) < m_tolerance) done = true; } int totalChunks = static_cast(m_maxSteps / m_optOptions.chunkIterations); if (m_currentStep >= totalChunks) done = true; m_lastEnergy = energy; if (done || (m_progressDialog && m_progressDialog->wasCanceled())) { // Optimization complete m_molecule->undoMolecule()->setInteractive(false); cleanupWorker(); } else { // Request next chunk QMetaObject::invokeMethod( m_worker, "runOptimizeChunk", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, m_lastPositions), Q_ARG(Avogadro::Calc::OptimizationOptions, m_optOptions)); } } void Forcefield::energy() { if (m_molecule == nullptr || m_optimizing) return; if (m_method == nullptr) setupMethod(); if (m_method == nullptr) return; auto n = m_molecule->atomCount(); Core::Array pos = m_molecule->atomPositions3d(); Eigen::Map map(pos[0].data(), 3 * n); Eigen::VectorXd positions = map; startWorker(); connect( m_worker, &QtGui::CalcWorker::calculatorReady, this, [this, positions]() { QMetaObject::invokeMethod(m_worker, "runEvaluate", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions), Q_ARG(bool, false)); }); connect(m_worker, &QtGui::CalcWorker::evaluateFinished, this, &Forcefield::onEnergyDone); sendInitCalculator(); } void Forcefield::onEnergyDone(Eigen::VectorXd gradient, double energy) { Q_UNUSED(gradient); QString msg(tr("%1 Energy = %L2").arg(m_methodName.c_str()).arg(energy)); cleanupWorker(); QMessageBox::information(nullptr, tr("Avogadro"), msg); } void Forcefield::forces() { if (m_molecule == nullptr || m_optimizing) return; if (m_method == nullptr) setupMethod(); if (m_method == nullptr) return; auto n = m_molecule->atomCount(); Core::Array pos = m_molecule->atomPositions3d(); Eigen::Map map(pos[0].data(), 3 * n); Eigen::VectorXd positions = map; startWorker(); connect( m_worker, &QtGui::CalcWorker::calculatorReady, this, [this, positions]() { QMetaObject::invokeMethod(m_worker, "runGradient", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions)); }); connect(m_worker, &QtGui::CalcWorker::evaluateFinished, this, &Forcefield::onForcesDone); sendInitCalculator(); } void Forcefield::onForcesDone(Eigen::VectorXd gradient, double energy) { Q_UNUSED(energy); if (m_molecule == nullptr) { cleanupWorker(); return; } auto n = m_molecule->atomCount(); Core::Array forces(n); if (gradient.size() == 3 * static_cast(n)) Eigen::Map(forces[0].data(), 3 * n) = -gradient; m_molecule->setForceVectors(forces); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; m_molecule->emitChanged(changes); QString msg( tr("%1 Force Norm = %L2").arg(m_methodName.c_str()).arg(gradient.norm())); cleanupWorker(); QMessageBox::information(nullptr, tr("Avogadro"), msg); } std::string Forcefield::recommendedForceField() const { // if we have a unit cell, we need to use the LJ calculator // (implementing something better would be nice) if (m_molecule == nullptr || m_molecule->unitCell() != nullptr) return "LJ"; // otherwise, let's see what identifers are returned auto list = Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); if (list.empty()) return "LJ"; // this will always work // iterate to see what we have std::string bestOption; for (auto option : list) { // GAFF is better than MMFF94 which is better than UFF if (option == "UFF" && bestOption != "GAFF" && bestOption != "MMFF94") bestOption = option; if (option == "MMFF94" && bestOption != "GAFF") bestOption = option; } if (!bestOption.empty()) return bestOption; else return "LJ"; // this will always work } void Forcefield::freezeSelected() { if (m_molecule == nullptr || m_molecule->isSelectionEmpty()) return; // nothing to do until there's a valid selection auto numAtoms = m_molecule->atomCount(); // now freeze the specified atoms for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { m_molecule->setFrozenAtom(i, true); } } m_molecule->emitChanged(QtGui::Molecule::Constraints); } void Forcefield::freezeAxis(int axis) { if (m_molecule == nullptr || m_molecule->isSelectionEmpty()) return; // nothing to do until there's a valid selection auto numAtoms = m_molecule->atomCount(); // now freeze the specified atoms for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { m_molecule->setFrozenAtomAxis(i, axis, true); } } m_molecule->emitChanged(QtGui::Molecule::Constraints); } void Forcefield::freezeX() { freezeAxis(0); } void Forcefield::freezeY() { freezeAxis(1); } void Forcefield::freezeZ() { freezeAxis(2); } void Forcefield::unfreezeSelected() { if (m_molecule == nullptr || m_molecule->isSelectionEmpty()) return; // nothing to do until there's a valid selection auto numAtoms = m_molecule->atomCount(); // now freeze the specified atoms for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { m_molecule->setFrozenAtom(i, false); } } m_molecule->emitChanged(QtGui::Molecule::Constraints); } void Forcefield::unfuseSelected() { if (m_molecule == nullptr || m_molecule->isSelectionEmpty()) return; // nothing to do until there's a valid selection auto numAtoms = m_molecule->atomCount(); // now remove constraints between the specified atoms for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { for (Index j = i + 1; j < numAtoms; ++j) { if (m_molecule->atomSelected(j)) { m_molecule->removeConstraint(i, j); } } } } m_molecule->emitChanged(QtGui::Molecule::Constraints); } void Forcefield::fuseSelected() { if (m_molecule == nullptr || m_molecule->isSelectionEmpty()) return; // nothing to do until there's a valid selection // loop through all selected atom pairs auto numAtoms = m_molecule->atomCount(); for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { Vector3 iPos = m_molecule->atomPosition3d(i); for (Index j = i + 1; j < numAtoms; ++j) { if (m_molecule->atomSelected(j)) { // both selected, set the constraint Vector3 jPos = m_molecule->atomPosition3d(j); Real distance = (iPos - jPos).norm(); Core::Constraint constraint(i, j); constraint.setValue(distance); m_molecule->addConstraint(constraint); } } } } m_molecule->emitChanged(QtGui::Molecule::Constraints); } void Forcefield::refreshScripts() { unregisterScripts(); qDeleteAll(m_scripts); m_scripts.clear(); m_packageScripts.clear(); registerScripts(); } void Forcefield::unregisterScripts() { for (auto* script : m_scripts) Calc::EnergyManager::unregisterModel(script->identifier()); } void Forcefield::registerScripts() { for (auto* script : m_scripts) { qDebug() << " register " << script->identifier().c_str(); if (!Calc::EnergyManager::registerModel(script->newInstance())) { qDebug() << "Could not register model" << script->identifier().c_str() << "due to name conflict."; } } } void Forcefield::registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata) { if (type != QLatin1String("energy-models")) return; auto* model = new ScriptEnergy(); model->setPackageInfo(packageDir, command, identifier); model->readMetaData(metadata); if (model->isValid()) { QString managerId = QString::fromStdString(model->identifier()); auto* newModel = model->newInstance(); if (!Calc::EnergyManager::registerModel(newModel)) { qDebug() << "Could not register energy model" << identifier << "due to name conflict."; delete newModel; delete model; } else { m_scripts.push_back(model); m_packageScripts.insert(QtGui::PackageManager::packageFeatureKey( packageDir, command, identifier), managerId); } } else { delete model; } } void Forcefield::unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier) { if (type != QLatin1String("energy-models")) return; const QString featureKey = QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier); const QList managerIds = m_packageScripts.values(featureKey); if (managerIds.isEmpty()) return; m_packageScripts.remove(featureKey); for (const QString& managerId : managerIds) { Calc::EnergyManager::unregisterModel(managerId.toStdString()); for (int i = m_scripts.size() - 1; i >= 0; --i) { if (QString::fromStdString(m_scripts[i]->identifier()) == managerId) delete m_scripts.takeAt(i); } } } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/forcefield.h000066400000000000000000000102521516317240700276770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FORCEFIELD_H #define AVOGADRO_QTPLUGINS_FORCEFIELD_H #include #include #include #include #include #include #include #include #include class QAction; class QDialog; class QProgressDialog; class QThread; namespace Avogadro { namespace Calc { class EnergyCalculator; } namespace QtGui { class CalcWorker; } namespace QtPlugins { /** * @brief The Forcefield class implements the extension interface for * forcefield (and other) optimization * @author Geoffrey R. Hutchison */ class Forcefield : public QtGui::ExtensionPlugin { Q_OBJECT public: // Currently unused - defaults to LBFGS enum Minimizer { SteepestDescent = 0, ConjugateGradients, LBFGS, FIRE, }; explicit Forcefield(QObject* parent = nullptr); ~Forcefield() override; QString name() const override { return tr("Forcefield optimization"); } QString description() const override { return tr("Forcefield minimization, including scripts"); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; void setupMethod(); std::string recommendedForceField() const; public slots: /** * Scan for new scripts in the Forcefield directories. */ void refreshScripts(); void registerScripts(); void unregisterScripts(); void showDialog(); /** * Handle a feature registered by PackageManager. */ void registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata); /** * Handle a feature removed by PackageManager. */ void unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier); private slots: void energy(); void forces(); void optimize(); void freezeSelected(); void unfreezeSelected(); void setupConstraints(); void freezeAxis(int axis); void freezeX(); void freezeY(); void freezeZ(); // fuse adds all pairwise distance constraints void fuseSelected(); void unfuseSelected(); void updateActions(); // worker thread callbacks void onOptimizeChunkDone(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged); void onEnergyDone(Eigen::VectorXd gradient, double energy); void onForcesDone(Eigen::VectorXd gradient, double energy); void onWorkerReady(); private: void cleanupWorker(); void startWorker(); void sendInitCalculator(); QList m_actions; QtGui::Molecule* m_molecule = nullptr; Calc::EnergyCalculator* m_method = nullptr; std::string m_methodName; bool m_autodetect; // defaults Minimizer m_minimizer = LBFGS; unsigned int m_maxSteps = 100; unsigned int m_nSteps = 5; double m_tolerance = 1.0e-6; double m_gradientTolerance = 1.0e-4; QVariantMap m_modelUserOptions; QList m_scripts; QMultiHash m_packageScripts; // worker thread state QThread* m_workerThread = nullptr; QtGui::CalcWorker* m_worker = nullptr; QProgressDialog* m_progressDialog = nullptr; bool m_optimizing = false; int m_currentStep = 0; Eigen::VectorXd m_lastPositions; double m_lastEnergy = 0.0; Calc::OptimizationOptions m_optOptions; // Pending initCalculator args (set by startWorker, sent by // sendInitCalculator) Calc::EnergyCalculator* m_pendingCalc = nullptr; Core::Molecule m_pendingSnapshot; Eigen::VectorXd m_pendingMask; std::vector m_pendingConstraints; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCEFIELD_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/forcefielddialog.cpp000066400000000000000000000171451516317240700314220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "forcefielddialog.h" #include "ui_forcefielddialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include // for log10 namespace Avogadro { namespace QtPlugins { namespace { // Minimal JsonWidget subclass that renders a fixed options schema with no // backing script. The schema must be the flat "userOptions" object (not // wrapped in an outer object). class SchemaWidget : public QtGui::JsonWidget { public: explicit SchemaWidget(const QJsonObject& schema, QWidget* parent = nullptr) : QtGui::JsonWidget(parent) { m_options.insert(QStringLiteral("userOptions"), schema); updateOptions(); } }; } // namespace ForceFieldDialog::ForceFieldDialog(const QStringList& forceFields, QWidget* parent_) : QDialog(parent_), ui(new Ui::ForceFieldDialog) { ui->setupUi(this); ui->forceField->addItems(forceFields); updateRecommendedForceField(); m_optionsButton = new QPushButton(tr("Options…"), this); ui->formLayout->setWidget(2, QFormLayout::FieldRole, m_optionsButton); connect(ui->useRecommended, &QCheckBox::toggled, this, &ForceFieldDialog::useRecommendedForceFieldToggled); connect(ui->forceField, &QComboBox::currentTextChanged, this, &ForceFieldDialog::updateOptionsButton); connect(m_optionsButton, &QPushButton::clicked, this, &ForceFieldDialog::modelOptionsClicked); QSettings settings; bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); ui->useRecommended->setChecked(autoDetect); updateOptionsButton(); } ForceFieldDialog::~ForceFieldDialog() { delete ui; } QVariantMap ForceFieldDialog::prompt(QWidget* parent_, const QStringList& forceFields, const QVariantMap& startingOptions, const QString& recommendedForceField_) { ForceFieldDialog dlg(forceFields, parent_); dlg.setOptions(startingOptions); dlg.setRecommendedForceField(recommendedForceField_); QVariantMap options; if (dlg.exec() == QDialog::Accepted) options = dlg.options(); return options; } QVariantMap ForceFieldDialog::options() const { QVariantMap opts; opts["forcefield"] = ui->forceField->currentText(); opts["maxSteps"] = ui->stepLimit->value(); opts["tolerance"] = pow(10, ui->energyConv->value()); opts["gradientTolerance"] = pow(10, ui->gradConv->value()); opts["autodetect"] = ui->useRecommended->isChecked(); opts["modelUserOptions"] = m_modelUserOptions; return opts; } void ForceFieldDialog::setOptions(const QVariantMap& opts) { if (opts.contains("modelUserOptionsSchemas") && opts["modelUserOptionsSchemas"].canConvert()) { m_modelUserOptionSchemas = opts["modelUserOptionsSchemas"].toMap(); } if (opts.contains("modelUserOptions") && opts["modelUserOptions"].canConvert()) { m_modelUserOptions = opts["modelUserOptions"].toMap(); } if (opts.contains("forcefield") && opts["forcefield"].canConvert()) ui->forceField->setCurrentText(opts["forcefield"].toString()); if (opts.contains("maxSteps") && opts["maxSteps"].canConvert()) ui->stepLimit->setValue(opts["maxSteps"].toInt()); if (opts.contains("tolerance") && opts["tolerance"].canConvert()) ui->energyConv->setValue(log10(opts["tolerance"].toDouble())); if (opts.contains("gradientTolerance") && opts["gradientTolerance"].canConvert()) ui->gradConv->setValue(log10(opts["gradientTolerance"].toDouble())); if (opts.contains("autodetect") && opts["autodetect"].canConvert()) ui->useRecommended->setChecked(opts["autodetect"].toBool()); updateOptionsButton(); } void ForceFieldDialog::setRecommendedForceField(const QString& rff) { if (rff == m_recommendedForceField) return; if (ui->forceField->findText(rff) == -1) return; m_recommendedForceField = rff; updateRecommendedForceField(); } void ForceFieldDialog::useRecommendedForceFieldToggled(bool state) { if (!m_recommendedForceField.isEmpty()) { if (state) { int index = ui->forceField->findText(m_recommendedForceField); if (index >= 0) { ui->forceField->setCurrentIndex(index); } } } ui->forceField->setEnabled(!state); updateOptionsButton(); QSettings().setValue("forcefield/autoDetect", state); } void ForceFieldDialog::modelOptionsClicked() { const QString forceField = ui->forceField->currentText(); const QString schemaJson = m_modelUserOptionSchemas.value(forceField).toString().trimmed(); if (schemaJson.isEmpty()) return; QJsonParseError parseError; const QJsonDocument schemaDoc = QJsonDocument::fromJson(schemaJson.toUtf8(), &parseError); if (parseError.error != QJsonParseError::NoError || !schemaDoc.isObject()) { QMessageBox::warning( this, tr("Invalid Model Options"), tr("Could not parse user options for model '%1'.").arg(forceField)); return; } QDialog dlg(this); dlg.setWindowTitle(tr("%1 Options").arg(forceField)); auto* layout = new QVBoxLayout(&dlg); auto* widget = new SchemaWidget(schemaDoc.object(), &dlg); const QString valuesJson = m_modelUserOptions.value(forceField).toString(); if (!valuesJson.trimmed().isEmpty()) { QJsonParseError valueParseError; const QJsonDocument valueDoc = QJsonDocument::fromJson(valuesJson.toUtf8(), &valueParseError); if (valueParseError.error == QJsonParseError::NoError && valueDoc.isObject()) { widget->applyOptions(valueDoc.object()); } } layout->addWidget(widget); auto* buttonBox = new QDialogButtonBox( QDialogButtonBox::Ok | QDialogButtonBox::Cancel, Qt::Horizontal, &dlg); connect(buttonBox, &QDialogButtonBox::accepted, &dlg, &QDialog::accept); connect(buttonBox, &QDialogButtonBox::rejected, &dlg, &QDialog::reject); layout->addWidget(buttonBox); if (dlg.exec() != QDialog::Accepted) return; const QJsonObject collected = widget->collectOptions(); if (collected.isEmpty()) { m_modelUserOptions.remove(forceField); } else { m_modelUserOptions[forceField] = QString::fromUtf8( QJsonDocument(collected).toJson(QJsonDocument::Compact)); } } void ForceFieldDialog::updateRecommendedForceField() { if (m_recommendedForceField.isEmpty()) { ui->useRecommended->hide(); ui->forceField->setEnabled(true); } else { ui->useRecommended->setText( tr("Autodetect (%1)").arg(m_recommendedForceField)); // Force the combo box to update if needed: useRecommendedForceFieldToggled(ui->useRecommended->isChecked()); ui->useRecommended->show(); } } void ForceFieldDialog::updateOptionsButton() { if (m_optionsButton == nullptr) return; const QString forceField = ui->forceField->currentText(); const QString schemaJson = m_modelUserOptionSchemas.value(forceField).toString().trimmed(); m_optionsButton->setEnabled(!schemaJson.isEmpty()); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/forcefielddialog.h000066400000000000000000000053161516317240700310640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H #define AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H #include #include class QPushButton; namespace Avogadro { namespace QtPlugins { namespace Ui { class ForceFieldDialog; } /** * @brief The ForceFieldDialog class is used to prompt the user for parameters * to be used in a force field optimization. */ class ForceFieldDialog : public QDialog { Q_OBJECT public: /** * Construct a new dialog using the forcefields in @a forceFields. */ explicit ForceFieldDialog(const QStringList& forceFields, QWidget* parent_ = nullptr); ~ForceFieldDialog() override; /** * Construct a new dialog using the forcefields in @a forceFields and * initialize the options to those in @a startingOptions (see setOptions). * If the user chooses the recommended force field, @a recommendedForceField_ * will be set. This is useful for preferring a specific force field for a * particular molecule. * When the user closes the dialog, the options they selected are returned. If * the user cancels the dialog, an empty list is returned. */ static QVariantMap prompt(QWidget* parent_, const QStringList& forceFields, const QVariantMap& startingOptions, const QString& recommendedForceField_ = QString()); /** * Get/set the options displayed in the dialog. */ QVariantMap options() const; void setOptions(const QVariantMap& opts); /** * Get/set the recommended forcefield for the current molecule. If an empty * string, the user will not be shown an option to use the recommended * forcefield. * If the string is non-empty (and in the forceFields list passed in the * constructor), the user will have the option of setting the forcefield to * this value. * * @{ */ QString recommendedForceField() const { return m_recommendedForceField; } void setRecommendedForceField(const QString& rff); /**@}*/ private slots: void useRecommendedForceFieldToggled(bool state); void modelOptionsClicked(); private: void updateRecommendedForceField(); void updateOptionsButton(); Ui::ForceFieldDialog* ui; QString m_recommendedForceField; QVariantMap m_modelUserOptionSchemas; QVariantMap m_modelUserOptions; QPushButton* m_optionsButton = nullptr; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/forcefielddialog.ui000066400000000000000000000122031516317240700312430ustar00rootroot00000000000000 Avogadro::QtPlugins::ForceFieldDialog 0 0 365 275 0 0 Geometry Optimization Parameters QLayout::SetFixedSize Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok Convergence Criteria Energy convergence: Step limit: units 10^ -10 9 -6 steps 0 100000 50 250 Gradient convergence: units 10^ -10 -1 -4 Optimization Method Force field: Autodetect forceField useRecommended energyConv stepLimit buttonBox buttonBox accepted() Avogadro::QtPlugins::ForceFieldDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::ForceFieldDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/obenergy.cpp000066400000000000000000000161471516317240700277530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). It links to the Open Babel library, which is released under the GNU GPL v2. ******************************************************************************/ #include "obenergy.h" #include #include #include #include #include #include #include #include #include #include #include #include using namespace OpenBabel; namespace Avogadro::QtPlugins { class OBEnergy::Private { public: // OBMol and OBForceField are owned by this class OBMol* m_obmol = nullptr; OBForceField* m_forceField = nullptr; bool setup = false; ~Private() { if (m_obmol != nullptr) delete m_obmol; } }; OBEnergy::OBEnergy(const std::string& method) : m_identifier(method), m_name(method), m_molecule(nullptr) { d = new Private; // make sure we set the Open Babel variables for data files #ifdef _WIN32 QByteArray dataDir = QString(QCoreApplication::applicationDirPath() + "/data").toLocal8Bit(); qputenv("BABEL_DATADIR", dataDir); #else // check if BABEL_DATADIR is set in the environment QStringList filters; filters << "3.*" << "2.*"; if (qgetenv("BABEL_DATADIR").isEmpty()) { QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); QStringList dirs = dir.entryList(filters); if (dirs.size() == 1) { // versioned data directory QString dataDir = QCoreApplication::applicationDirPath() + "/../share/openbabel/" + dirs[0]; qputenv("BABEL_DATADIR", dataDir.toLocal8Bit()); } else { qDebug() << "Error, Open Babel data directory not found."; } } // Check if BABEL_LIBDIR is set if (qgetenv("BABEL_LIBDIR").isEmpty()) { QDir dir(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); QStringList dirs = dir.entryList(filters); if (dirs.size() == 0) { QString libDir = QCoreApplication::applicationDirPath() + "/../lib/openbabel/"; qputenv("BABEL_LIBDIR", libDir.toLocal8Bit()); } else if (dirs.size() == 1) { QString libDir = QCoreApplication::applicationDirPath() + "/../lib/openbabel/" + dirs[0]; qputenv("BABEL_LIBDIR", libDir.toLocal8Bit()); } else { qDebug() << "Error, Open Babel plugins directory not found."; } } #endif // Ensure the plugins are loaded OBPlugin::LoadAllPlugins(); d->m_forceField = static_cast( OBPlugin::GetPlugin("forcefields", method.c_str())); #ifndef NDEBUG qDebug() << "OBEnergy: method: " << method.c_str(); if (d->m_forceField == nullptr) { qDebug() << "OBEnergy: method not found: " << method.c_str(); qDebug() << OBPlugin::ListAsString("forcefields").c_str(); } #endif if (method == "UFF") { m_description = tr("Universal Force Field"); m_elements.reset(); for (unsigned int i = 1; i < 102; ++i) m_elements.set(i); } else if (method == "GAFF") { m_description = tr("Generalized Amber Force Field"); // H, C, N, O, F, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (method == "MMFF94") { m_description = tr("Merck Molecular Force Field 94"); m_elements.reset(); // H, C, N, O, F, Si, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } } OBEnergy::~OBEnergy() {} bool OBEnergy::acceptsRadicals() const { if (m_identifier == "UFF") return true; return false; } Calc::EnergyCalculator* OBEnergy::newInstance() const { return new OBEnergy(m_name); } void OBEnergy::setMolecule(Core::Molecule* mol) { m_molecule = mol; if (mol == nullptr || mol->atomCount() == 0) { return; // nothing to do } // set up our internal OBMol d->m_obmol = new OBMol; // copy the atoms, bonds, and coordinates d->m_obmol->BeginModify(); for (size_t i = 0; i < mol->atomCount(); ++i) { const Core::Atom& atom = mol->atom(i); OBAtom* obAtom = d->m_obmol->NewAtom(); obAtom->SetAtomicNum(atom.atomicNumber()); auto pos = atom.position3d().cast(); obAtom->SetVector(pos.x(), pos.y(), pos.z()); } for (size_t i = 0; i < mol->bondCount(); ++i) { const Core::Bond& bond = mol->bond(i); d->m_obmol->AddBond(bond.atom1().index() + 1, bond.atom2().index() + 1, bond.order()); } d->m_obmol->EndModify(); // make sure we can set up the force field if (d->m_forceField != nullptr) { d->setup = d->m_forceField->Setup(*d->m_obmol); } else { d->m_forceField = static_cast( OBPlugin::GetPlugin("forcefields", m_identifier.c_str())); if (d->m_forceField != nullptr) { d->setup = d->m_forceField->Setup(*d->m_obmol); } } } Real OBEnergy::value(const Eigen::VectorXd& x) { if (m_molecule == nullptr || m_molecule->atomCount() == 0 || d->m_obmol == nullptr || !d->setup) return 0.0; // nothing to do // update all coordinates at once (SetCoordinates copies the array) d->m_obmol->SetCoordinates(const_cast(x.data())); double energy = 0.0; if (d->m_forceField != nullptr) { d->m_forceField->SetCoordinates(*d->m_obmol); energy = d->m_forceField->Energy(false); } // if method is not GAFF, convert to kJ/mol if (m_identifier != "GAFF") energy *= Calc::KCAL_TO_KJ; // make sure to add in any constraint penalties energy += constraintEnergies(x); return energy; } Real OBEnergy::evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) { if (grad == nullptr) return value(x); if (m_molecule == nullptr || m_molecule->atomCount() == 0 || d->m_obmol == nullptr || !d->setup) { return 0.0; } d->m_obmol->SetCoordinates(const_cast(x.data())); double energy = 0.0; if (d->m_forceField != nullptr) { d->m_forceField->SetCoordinates(*d->m_obmol); energy = d->m_forceField->Energy(true); // GetGradientPtr returns forces (not gradients), so negate const auto n = m_molecule->atomCount(); Eigen::Map obForces( d->m_forceField->GetGradientPtr(), 3 * n); *grad = -obForces; // if method is not GAFF, convert to kJ/mol if (m_identifier != "GAFF") { energy *= Calc::KCAL_TO_KJ; *grad *= Calc::KCAL_TO_KJ; } cleanGradients(*grad); constraintGradients(x, *grad); } energy += constraintEnergies(x); return energy; } void OBEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { evaluate(x, &grad); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/obenergy.h000066400000000000000000000040421516317240700274070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). It links to the Open Babel library, which is released under the GNU GPL v2. ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBENERGY_H #define AVOGADRO_QTPLUGINS_OBENERGY_H #include #include #include #include namespace Avogadro { namespace QtPlugins { class OBEnergy : public Avogadro::Calc::EnergyCalculator { Q_DECLARE_TR_FUNCTIONS(OBEnergy) public: OBEnergy(const std::string& method = ""); ~OBEnergy() override; std::string method() const { return m_identifier; } void setupProcess(); Calc::EnergyCalculator* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description.toStdString(); } Core::Molecule::ElementMask elements() const override { return (m_elements); } // This will check if the molecule is valid for this script // and then start the external process void setMolecule(Core::Molecule* mol) override; // energy Real value(const Eigen::VectorXd& x) override; // gradient (which may be unsupported and fall back to numeric) void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; Real evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) override; bool acceptsIons() const override { return true; } // UFF can handle radicals bool acceptsRadicals() const override; private: class Private; Core::Molecule* m_molecule; Private* d; Core::Molecule::ElementMask m_elements; std::string m_identifier; std::string m_name; QString m_description; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBENERGY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/obmmenergy.cpp000066400000000000000000000220001516317240700302660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obmmenergy.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { OBMMEnergy::OBMMEnergy(const std::string& method) : m_molecule(nullptr), m_process(nullptr), m_executable( #if defined(_WIN32) "obmm.exe" #else "obmm" #endif ), m_identifier(method), m_name(method) { // eventually CJSON might be nice m_inputFormat = new Io::CmlFormat; if (method == "UFF") { m_description = tr("Universal Force Field"); m_elements.reset(); for (unsigned int i = 1; i < 102; ++i) m_elements.set(i); } else if (method == "GAFF") { m_description = tr("Generalized Amber Force Field"); // H, C, N, O, F, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (method == "MMFF94") { m_description = tr("Merck Molecular Force Field 94"); m_elements.reset(); // H, C, N, O, F, Si, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } } OBMMEnergy::~OBMMEnergy() { delete m_inputFormat; if (m_process != nullptr) delete m_process; } bool OBMMEnergy::acceptsRadicals() const { // UFF will figure something out if (m_identifier == "UFF") return true; return false; } QByteArray OBMMEnergy::writeAndRead(const QByteArray& input) { if (m_process == nullptr) return QByteArray(); QByteArray result, line; m_process->write(input + "\n"); QThread::msleep(1); m_process->waitForReadyRead(5); while (m_process->canReadLine() && !line.startsWith("command >")) { line = m_process->readLine(); result += line; } // check if we've really flushed the output if (!result.contains("invalid command\n command >")) { m_process->write(" \n"); QThread::msleep(1); m_process->waitForReadyRead(5); while (m_process->canReadLine()) { line = m_process->readLine(); result += line; } } result += m_process->readAllStandardOutput(); return result; } void OBMMEnergy::setupProcess() { if (m_process != nullptr) { m_process->kill(); delete m_process; } m_process = new QProcess(); // Read the AVO_OBMM_EXECUTABLE env var to optionally override the // executable used. QByteArray obmmExec = qgetenv("AVO_OBMM_EXECUTABLE"); if (!obmmExec.isEmpty()) { m_executable = obmmExec; } else { // If not overridden, look for an obmm next to the executable. QDir baseDir(QCoreApplication::applicationDirPath()); if (!baseDir.absolutePath().startsWith("/usr/") && QFileInfo(baseDir.absolutePath() + '/' + m_executable).exists()) { m_executable = baseDir.absolutePath() + '/' + m_executable; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); #if defined(_WIN32) env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/data"); #else QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); QStringList filters; filters << "3.*"; QStringList dirs = dir.entryList(filters); if (dirs.size() == 1) { env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/../share/openbabel/" + dirs[0]); } else { qDebug() << "Error, Open Babel data directory not found."; } dir.setPath(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); dirs = dir.entryList(filters); if (dirs.size() == 1) { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/" + dirs[0]); } else { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/"); qDebug() << "Error, Open Babel plugins directory not found."; } #endif m_process->setProcessEnvironment(env); } } } Calc::EnergyCalculator* OBMMEnergy::newInstance() const { return new OBMMEnergy(m_name); } void OBMMEnergy::setMolecule(Core::Molecule* mol) { m_molecule = mol; // should check if the molecule is valid for this script // .. this should never happen, but let's be defensive if (mol == nullptr || mol->atomCount() == 0) { return; // nothing to do } setupProcess(); // start the process // we need a tempory file to write the molecule // get a temporary filename QString tempPath = QDir::tempPath(); if (!tempPath.endsWith(QDir::separator())) tempPath += QDir::separator(); QString tempPattern = tempPath + "avogadroOBMMXXXXXX.cml"; m_tempFile.setFileTemplate(tempPattern); if (!m_tempFile.open()) { // appendError("Error creating temporary file."); return; } // write the molecule m_inputFormat->writeFile(m_tempFile.fileName().toStdString(), *mol); m_tempFile.close(); // start the process m_process->start(m_executable, QStringList() << m_tempFile.fileName()); if (!m_process->waitForStarted()) { // appendError("Error starting process."); qDebug() << "OBMM: Error starting process."; return; } QByteArray input, line, result; m_process->waitForReadyRead(); result.clear(); while (!result.contains("command >")) { result += m_process->readLine(); if (!m_process->canReadLine()) break; } result += m_process->readAllStandardOutput(); // set the method m_identifier.c_str() + input = QByteArray("ff ") + m_identifier.c_str(); result = writeAndRead(input); // okay, we need to write "load " to the interpreter // and then read the response input = "load " + m_tempFile.fileName().toLocal8Bit(); result = writeAndRead(input); } Real OBMMEnergy::value(const Eigen::VectorXd& x) { if (m_molecule == nullptr || m_process == nullptr) return 0.0; // nothing to do QByteArray input, result; // write the new coordinates and read the energy input = "coord\n"; for (Eigen::Index i = 0; i < x.size(); i += 3) { // write as x y z (space separated) input += QString::number(x[i]).toUtf8() + " " + QString::number(x[i + 1]).toUtf8() + " " + QString::number(x[i + 2]).toUtf8() + "\n"; } result = writeAndRead(input); // now ask for the energy input = "energy\n"; result = writeAndRead(input); // go through lines in result until we see "total energy" QStringList lines = QString(result).remove('\r').split('\n'); double energy = 0.0; for (auto line : lines) { if (line.contains("total energy =")) { QStringList items = line.split(" ", Qt::SkipEmptyParts); if (items.size() > 4) energy = items[3].toDouble(); } } // if method is not GAFF, convert to kJ/mol if (m_identifier != "GAFF") energy *= Calc::KCAL_TO_KJ; energy += constraintEnergies(x); return energy; // if conversion fails, returns 0.0 } void OBMMEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (m_molecule == nullptr || m_process == nullptr) return; // write the new coordinates and read the energy QByteArray result, input = "coord\n"; for (Eigen::Index i = 0; i < x.size(); i += 3) { // write as x y z (space separated) input += QString::number(x[i]).toUtf8() + " " + QString::number(x[i + 1]).toUtf8() + " " + QString::number(x[i + 2]).toUtf8() + "\n"; } result = writeAndRead(input); // now ask for the energy input = "grad"; result = writeAndRead(input); // go through lines in result until we see "gradient " QStringList lines = QString(result).remove('\r').split('\n'); bool readingGradient = false; unsigned int i = 0; for (auto line : lines) { if (line.contains("gradient")) { readingGradient = true; continue; } if (readingGradient) { QStringList items = line.split(" ", Qt::SkipEmptyParts); if (items.size() == 3) { grad[3 * i] = items[0].toDouble(); grad[3 * i + 1] = items[1].toDouble(); grad[3 * i + 2] = items[2].toDouble(); ++i; } } } grad *= -1; // OpenBabel outputs forces, not grads cleanGradients(grad); // if method is not GAFF, convert to kJ/mol if (m_identifier != "GAFF") grad *= Calc::KCAL_TO_KJ; constraintGradients(x, grad); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/obmmenergy.h000066400000000000000000000045351516317240700277500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBMMENERGY_H #define AVOGADRO_QTPLUGINS_OBMMENERGY_H #include #include #include #include #include #include class QJsonObject; namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class OBMMEnergy : public Avogadro::Calc::EnergyCalculator { Q_DECLARE_TR_FUNCTIONS(OBMMEnergy) public: /** Formats that may be written to the script's input. */ enum Format { NotUsed, Cjson, Cml, Mdl, // sdf Pdb, Xyz }; OBMMEnergy(const std::string& method = ""); ~OBMMEnergy() override; std::string method() const { return m_identifier; } void setupProcess(); Calc::EnergyCalculator* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description.toStdString(); } Core::Molecule::ElementMask elements() const override { return (m_elements); } // This will check if the molecule is valid for this script // and then start the external process void setMolecule(Core::Molecule* mol) override; // energy Real value(const Eigen::VectorXd& x) override; // gradient (which may be unsupported and fall back to numeric) void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; bool acceptsIons() const override { return true; } // UFF can handle radicals bool acceptsRadicals() const override; /** * @brief Synchronous use of the QProcess. */ QByteArray writeAndRead(const QByteArray& input); private: Core::Molecule* m_molecule; Io::FileFormat* m_inputFormat; QProcess* m_process; QString m_executable; Core::Molecule::ElementMask m_elements; std::string m_identifier; std::string m_name; QString m_description; QTemporaryFile m_tempFile; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBMMENERGY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/scriptenergy.cpp000066400000000000000000000613451516317240700306570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptenergy.h" #include #include #include // formats supported in scripts #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { namespace { constexpr int BINARY_HEADER_SIZE = 16; constexpr char BINARY_MAGIC[4] = { 'A', 'V', 'B', '1' }; constexpr quint16 BINARY_VERSION = 1; constexpr quint16 FLAG_RESPONSE_ERROR = 0x8000; constexpr quint16 FLAG_REQUEST_GRADIENT = 0x0001; constexpr quint16 FLAG_REQUEST_ENERGY_AND_GRADIENT = 0x0004; constexpr quint16 FLAG_REQUEST_HESSIAN = 0x0008; void appendFloat64LE(QByteArray& out, double value) { quint64 bits = 0; static_assert(sizeof(bits) == sizeof(value), "Unexpected double size"); std::memcpy(&bits, &value, sizeof(value)); bits = qToLittleEndian(bits); out.append(reinterpret_cast(&bits), sizeof(bits)); } bool readFloat64LE(const char* src, const char* end, double& value) { if (end - src < static_cast(sizeof(quint64))) return false; quint64 bits = 0; std::memcpy(&bits, src, sizeof(bits)); bits = qFromLittleEndian(bits); std::memcpy(&value, &bits, sizeof(value)); return true; } void appendFloatText(QByteArray& out, double value) { out.append(QByteArray::number(value, 'g', 17)); } bool readFloatText(const char*& pos, const char* end, double& value) { if (pos == nullptr || pos >= end) return false; char* parsedEnd = nullptr; value = std::strtod(pos, &parsedEnd); if (parsedEnd == pos || parsedEnd == nullptr || parsedEnd > end) return false; pos = parsedEnd; return true; } } // namespace ScriptEnergy::ScriptEnergy(const QString& scriptFileName_) : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_inputFormat(NotUsed), m_protocol(Protocol::TextV1), m_molecule(nullptr), m_valid(true), m_gradients(false), m_hessians(false), m_ions(false), m_radicals(false), m_unitCells(false) { m_elements.reset(); } ScriptEnergy::~ScriptEnergy() { delete m_interpreter; } void ScriptEnergy::setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier) { m_interpreter->setPackageInfo(packageDir, command, identifier); } void ScriptEnergy::readMetaData(const QVariantMap& metadata) { resetMetaData(); m_identifier = metadata.value("identifier").toString().toStdString(); m_name = metadata.value("model-name").toString().toStdString(); m_description = metadata.value("description").toString().toStdString(); QString inputFmt = metadata.value("input-format").toString(); m_inputFormat = stringToFormat(inputFmt.toStdString()); m_formatString = inputFmt; QString protocol = metadata.value("protocol").toString(); m_protocol = stringToProtocol(protocol.toStdString()); QVariantMap support = metadata.value("support").toMap(); m_gradients = support.value("gradients", false).toBool(); m_hessians = support.value("hessians", false).toBool(); m_unitCells = support.value("unit-cell", false).toBool(); m_ions = support.value("ions", false).toBool(); m_radicals = support.value("radicals", false).toBool(); QString elemStr = support.value("elements").toString(); if (!elemStr.isEmpty()) processElementString(elemStr); // Optional package-provided user-options schema. m_userOptionsSchema = QJsonObject(); const QVariant userOptionsVar = metadata.value("user-options"); if (userOptionsVar.typeId() == QMetaType::QVariantMap) { m_userOptionsSchema = QJsonObject::fromVariantMap(userOptionsVar.toMap()); } else { const QString userOptionsRel = userOptionsVar.toString(); if (!userOptionsRel.isEmpty()) { m_userOptionsSchema = QtGui::PackageManager::resolveUserOptions( userOptionsRel, m_interpreter->packageDir(), m_interpreter->packageCommand(), m_interpreter->packageIdentifier()); } } m_valid = !m_identifier.empty() && !m_name.empty() && m_inputFormat != NotUsed; } QString ScriptEnergy::scriptFilePath() const { return m_interpreter->scriptFilePath(); } std::string ScriptEnergy::userOptions() const { if (m_userOptionsSchema.isEmpty()) return std::string(); return QJsonDocument(m_userOptionsSchema) .toJson(QJsonDocument::Compact) .toStdString(); } bool ScriptEnergy::setUserOptions(const std::string& optionsJson) { if (optionsJson.empty()) { m_userOptionsValues = QJsonObject(); return true; } QJsonParseError parseError; const QJsonDocument doc = QJsonDocument::fromJson( QByteArray::fromStdString(optionsJson), &parseError); if (parseError.error != QJsonParseError::NoError || !doc.isObject()) return false; m_userOptionsValues = doc.object(); return true; } Calc::EnergyCalculator* ScriptEnergy::newInstance() const { auto* copy = new ScriptEnergy(); copy->m_interpreter->setPackageInfo(m_interpreter->packageDir(), m_interpreter->packageCommand(), m_interpreter->packageIdentifier()); copy->copyMetaDataFrom(*this); return copy; } void ScriptEnergy::copyMetaDataFrom(const ScriptEnergy& other) { m_identifier = other.m_identifier; m_name = other.m_name; m_description = other.m_description; m_inputFormat = other.m_inputFormat; m_formatString = other.m_formatString; m_userOptionsSchema = other.m_userOptionsSchema; m_userOptionsValues = other.m_userOptionsValues; m_protocol = other.m_protocol; m_gradients = other.m_gradients; m_hessians = other.m_hessians; m_unitCells = other.m_unitCells; m_ions = other.m_ions; m_radicals = other.m_radicals; m_elements = other.m_elements; m_valid = other.m_valid; } void ScriptEnergy::setMolecule(Core::Molecule* mol) { m_molecule = mol; // should check if the molecule is valid for this script // .. this should never happen, but let's be defensive if (mol == nullptr || m_interpreter == nullptr) { return; // nothing to do } if (!m_interpreter->isPackageMode()) { appendError("Energy scripts must run in package mode."); return; } // Always reset the running server before validating/restarting. m_interpreter->asyncTerminate(); if (!m_unitCells && mol->unitCell()) { appendError("Unit cell not supported for this script."); return; } if (!m_ions && mol->totalCharge() != 0) { appendError("Ionized molecules not supported for this script."); return; } if (!m_radicals && mol->totalSpinMultiplicity() != 1) { appendError("Radical molecules not supported for this script."); return; } QByteArray bootstrapInput; if (!buildBootstrapInput(bootstrapInput)) return; // construct the command line options QStringList options; if (m_protocol == Protocol::BinaryV1) options << "--protocol" << "binary-v1"; // Start the long-running interpreter and keep stdin open for coordinate // requests after bootstrapping the model from JSON. m_interpreter->asyncExecute(options, bootstrapInput, false, false); } QByteArray ScriptEnergy::writeCoordinatesText(const Eigen::VectorXd& x) { if (x.size() == 0 || (x.size() % 3) != 0) return QByteArray(); QByteArray input; input.reserve(static_cast(x.size() / 3) * 80); for (Eigen::Index i = 0; i < x.size(); i += 3) { appendFloatText(input, x[i]); input.append(' '); appendFloatText(input, x[i + 1]); input.append(' '); appendFloatText(input, x[i + 2]); input.append('\n'); } return input; } QByteArray ScriptEnergy::writeCoordinatesBinary(const Eigen::VectorXd& x, quint16 requestFlags) const { if (x.size() == 0 || (x.size() % 3) != 0) return QByteArray(); const quint16 flags = requestFlags; const quint32 atomCount = static_cast(x.size() / 3); const quint32 payloadBytes = static_cast(x.size() * sizeof(double)); QByteArray input; input.reserve(BINARY_HEADER_SIZE + static_cast(payloadBytes)); input.append(BINARY_MAGIC, static_cast(sizeof(BINARY_MAGIC))); quint16 versionLE = qToLittleEndian(BINARY_VERSION); quint16 flagsLE = qToLittleEndian(flags); quint32 atomCountLE = qToLittleEndian(atomCount); quint32 payloadBytesLE = qToLittleEndian(payloadBytes); input.append(reinterpret_cast(&versionLE), sizeof(versionLE)); input.append(reinterpret_cast(&flagsLE), sizeof(flagsLE)); input.append(reinterpret_cast(&atomCountLE), sizeof(atomCountLE)); input.append(reinterpret_cast(&payloadBytesLE), sizeof(payloadBytesLE)); if (QSysInfo::ByteOrder == QSysInfo::LittleEndian) { input.append(reinterpret_cast(x.data()), static_cast(payloadBytes)); } else { for (Eigen::Index i = 0; i < x.size(); ++i) appendFloat64LE(input, x[i]); } return input; } bool ScriptEnergy::parseResponseBinary(const QByteArray& response, quint16 requestFlags, double* energy, Eigen::VectorXd* grad, Eigen::MatrixXd* hess) const { if (response.size() < BINARY_HEADER_SIZE) return false; const char* raw = response.constData(); if (std::memcmp(raw, BINARY_MAGIC, sizeof(BINARY_MAGIC)) != 0) return false; const auto* header = reinterpret_cast(raw); const quint16 version = qFromLittleEndian(header + 4); const quint16 flags = qFromLittleEndian(header + 6); const quint32 atomCount = qFromLittleEndian(header + 8); const quint32 payloadBytes = qFromLittleEndian(header + 12); if (version != BINARY_VERSION) return false; if (response.size() < BINARY_HEADER_SIZE + static_cast(payloadBytes)) return false; const char* payload = raw + BINARY_HEADER_SIZE; const char* payloadEnd = payload + payloadBytes; if (m_molecule != nullptr && atomCount != static_cast(m_molecule->atomCount())) return false; if ((flags & FLAG_RESPONSE_ERROR) != 0) { appendError(std::string(payload, payloadEnd), false); return false; } const auto readDoubles = [](const char* src, const char* srcEnd, double* dest, Eigen::Index count) -> bool { const auto byteCount = count * static_cast(sizeof(double)); if (srcEnd - src < byteCount) return false; if (QSysInfo::ByteOrder == QSysInfo::LittleEndian) { std::memcpy(dest, src, byteCount); } else { for (Eigen::Index i = 0; i < count; ++i) { if (!readFloat64LE(src + i * sizeof(double), srcEnd, dest[i])) return false; } } return true; }; // Hessian response: (3N)^2 doubles, row-major on wire if ((requestFlags & FLAG_REQUEST_HESSIAN) != 0 && hess != nullptr) { const Eigen::Index dim = static_cast(atomCount) * 3; const quint32 expectedBytes = static_cast(dim * dim * sizeof(double)); if (payloadBytes != expectedBytes) return false; if (QSysInfo::ByteOrder == QSysInfo::LittleEndian) { // Map row-major wire data directly into column-major Eigen matrix Eigen::Map> rowMajorMap(reinterpret_cast(payload), dim, dim); *hess = rowMajorMap; } else { // Read with byte-swap into a temporary, then transpose hess->resize(dim, dim); Eigen::MatrixXd rowMajor(dim, dim); if (!readDoubles(payload, payloadEnd, rowMajor.data(), dim * dim)) return false; *hess = rowMajor.transpose(); } return true; } // Fused energy + gradient response: 1 double energy + 3N doubles gradient if ((requestFlags & FLAG_REQUEST_ENERGY_AND_GRADIENT) != 0) { if (grad == nullptr || energy == nullptr) return false; const quint32 gradBytes = static_cast(grad->size() * sizeof(double)); if (payloadBytes != sizeof(double) + gradBytes) return false; if (!readDoubles(payload, payloadEnd, energy, 1)) return false; if (!readDoubles(payload + sizeof(double), payloadEnd, grad->data(), grad->size())) return false; return true; } // Gradient-only response if ((requestFlags & FLAG_REQUEST_GRADIENT) != 0) { if (grad == nullptr) return false; if (atomCount != static_cast(grad->size() / 3)) return false; if (payloadBytes != static_cast(grad->size() * sizeof(double))) return false; return readDoubles(payload, payloadEnd, grad->data(), grad->size()); } // Energy-only response if (energy == nullptr) return false; if (payloadBytes != sizeof(double)) return false; return readDoubles(payload, payloadEnd, energy, 1); } bool ScriptEnergy::readBinaryFrame(const QByteArray& input, QByteArray& frame) { if (m_interpreter == nullptr) return false; constexpr int timeoutMs = 5000; QElapsedTimer timer; timer.start(); frame = m_interpreter->asyncWriteAndResponseRaw(input, timeoutMs); if (frame.isEmpty()) { appendError("No binary response received from script."); return false; } while (frame.size() < BINARY_HEADER_SIZE && timer.elapsed() < timeoutMs) { const int remainingMs = std::max(1, timeoutMs - static_cast(timer.elapsed())); const QByteArray chunk = m_interpreter->asyncWriteAndResponseRaw(QByteArray(), remainingMs); if (chunk.isEmpty()) break; frame += chunk; } if (frame.size() < BINARY_HEADER_SIZE) { appendError("Truncated binary header from script response."); return false; } const auto* header = reinterpret_cast(frame.constData()); if (std::memcmp(frame.constData(), BINARY_MAGIC, sizeof(BINARY_MAGIC)) != 0) { appendError("Invalid binary response magic."); return false; } const quint16 version = qFromLittleEndian(header + 4); const quint32 payloadBytes = qFromLittleEndian(header + 12); if (version != BINARY_VERSION) { appendError("Unsupported binary response version."); return false; } const qint64 totalBytes = BINARY_HEADER_SIZE + static_cast(payloadBytes); while (frame.size() < totalBytes && timer.elapsed() < timeoutMs) { const int remainingMs = std::max(1, timeoutMs - static_cast(timer.elapsed())); const QByteArray chunk = m_interpreter->asyncWriteAndResponseRaw(QByteArray(), remainingMs); if (chunk.isEmpty()) break; frame += chunk; } if (frame.size() < totalBytes) { appendError("Truncated binary response payload."); return false; } if (frame.size() > totalBytes) { appendError("Binary response contained trailing bytes."); return false; } return true; } bool ScriptEnergy::evaluateBinary(const Eigen::VectorXd& x, quint16 requestFlags, double* energy, Eigen::VectorXd* grad, Eigen::MatrixXd* hess) { const QByteArray input = writeCoordinatesBinary(x, requestFlags); if (input.isEmpty()) { appendError("Invalid coordinates for binary request."); return false; } QByteArray response; if (!readBinaryFrame(input, response)) return false; return parseResponseBinary(response, requestFlags, energy, grad, hess); } bool ScriptEnergy::buildBootstrapInput(QByteArray& input) const { if (m_molecule == nullptr) { return false; } QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { appendError("Invalid input format."); return false; } std::string moleculeString; if (!format->writeString(moleculeString, *m_molecule)) { appendError(format->error(), false); return false; } QJsonObject request; request.insert(QStringLiteral("charge"), m_molecule->totalCharge()); request.insert(QStringLiteral("spin"), m_molecule->totalSpinMultiplicity()); QJsonArray selectedList; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) selectedList.append(static_cast(i)); } request.insert(QStringLiteral("selectedAtoms"), selectedList); if (m_formatString == QLatin1String("cjson")) { QJsonParseError parseError; const QJsonDocument parsed = QJsonDocument::fromJson( QByteArray::fromStdString(moleculeString), &parseError); if (parseError.error != QJsonParseError::NoError || !parsed.isObject()) { appendError("Failed to serialize cjson bootstrap input."); return false; } request.insert(QStringLiteral("cjson"), parsed.object()); } else { request.insert(m_formatString, QString::fromStdString(moleculeString)); } // Package energy scripts receive user-selected values under "options". request.insert(QStringLiteral("options"), m_userOptionsValues); input = QJsonDocument(request).toJson(QJsonDocument::Compact); input.append('\n'); return true; } Real ScriptEnergy::value(const Eigen::VectorXd& x) { if (m_molecule == nullptr || m_interpreter == nullptr) return 0.0; // nothing to do double energy = 0.0; if (m_protocol == Protocol::BinaryV1) { if (!evaluateBinary(x, 0, &energy)) { return std::numeric_limits::quiet_NaN(); } energy += constraintEnergies(x); return energy; } QByteArray input = writeCoordinatesText(x); if (input.isEmpty()) { appendError("Invalid coordinates for text request."); return std::numeric_limits::quiet_NaN(); } QByteArray result = m_interpreter->asyncWriteAndResponse(input); // Find "AvogadroEnergy:" and parse the value directly from raw bytes const char* data = result.constData(); const char* end = data + result.size(); constexpr char marker[] = "AvogadroEnergy:"; constexpr size_t markerLen = sizeof(marker) - 1; const char* pos = std::search(data, end, marker, marker + markerLen); if (pos != end) { pos += markerLen; while (pos < end && (*pos == ' ' || *pos == '\t')) ++pos; double parsedEnergy = 0.0; if (readFloatText(pos, end, parsedEnergy)) energy = parsedEnergy; } energy += constraintEnergies(x); return energy; } Real ScriptEnergy::evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) { if (grad == nullptr) return value(x); // Optimizers may pass an uninitialized/incorrectly-sized gradient buffer. if (grad->rows() != x.rows()) grad->resize(x.rows()); grad->setZero(); if (!m_gradients) return EnergyCalculator::evaluate(x, grad); if (m_protocol == Protocol::BinaryV1) { double energy = 0.0; if (!evaluateBinary(x, FLAG_REQUEST_ENERGY_AND_GRADIENT, &energy, grad)) { grad->setConstant(std::numeric_limits::quiet_NaN()); return std::numeric_limits::quiet_NaN(); } cleanGradients(*grad); constraintGradients(x, *grad); energy += constraintEnergies(x); return energy; } // Text protocol parsers are currently separate for value and gradient. gradient(x, *grad); return value(x); } void ScriptEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (grad.rows() != x.rows()) grad.resize(x.rows()); grad.setZero(); if (!m_gradients) { EnergyCalculator::gradient(x, grad); return; } if (m_protocol == Protocol::BinaryV1) { if (!evaluateBinary(x, FLAG_REQUEST_GRADIENT, nullptr, &grad)) { grad.setConstant(std::numeric_limits::quiet_NaN()); return; } cleanGradients(grad); constraintGradients(x, grad); return; } QByteArray input = writeCoordinatesText(x); if (input.isEmpty()) { appendError("Invalid coordinates for text request."); grad.setConstant(std::numeric_limits::quiet_NaN()); return; } QByteArray result = m_interpreter->asyncWriteAndResponse(input); // Parse directly from raw bytes — no QString/QStringList overhead const char* data = result.constData(); const char* end = data + result.size(); constexpr char marker[] = "AvogadroGradient:"; constexpr size_t markerLen = sizeof(marker) - 1; const char* pos = std::search(data, end, marker, marker + markerLen); if (pos != end) { // Skip to the next line pos = static_cast(std::memchr(pos, '\n', end - pos)); if (pos) ++pos; Eigen::Index i = 0; while (pos && pos < end && i + 2 < x.size()) { // Skip whitespace while (pos < end && (*pos == ' ' || *pos == '\t' || *pos == '\r')) ++pos; if (pos >= end || *pos == '\n') { if (pos < end) ++pos; continue; } double gx, gy, gz; if (!readFloatText(pos, end, gx)) break; while (pos < end && (*pos == ' ' || *pos == '\t')) ++pos; if (!readFloatText(pos, end, gy)) break; while (pos < end && (*pos == ' ' || *pos == '\t')) ++pos; if (!readFloatText(pos, end, gz)) break; grad[i] = gx; grad[i + 1] = gy; grad[i + 2] = gz; i += 3; // Skip to next line while (pos < end && *pos != '\n') ++pos; if (pos < end) ++pos; } } cleanGradients(grad); constraintGradients(x, grad); } void ScriptEnergy::hessian(const Eigen::VectorXd& x, Eigen::MatrixXd& hess) { if (!m_hessians || m_protocol != Protocol::BinaryV1) { // Fall back to numerical Hessian // Text-mode would be really slow anyway EnergyCalculator::hessian(x, hess); return; } if (!evaluateBinary(x, FLAG_REQUEST_HESSIAN, nullptr, nullptr, &hess)) { // something went wrong const Eigen::Index dim = x.size(); hess = Eigen::MatrixXd::Constant(dim, dim, std::numeric_limits::quiet_NaN()); } } ScriptEnergy::Format ScriptEnergy::stringToFormat(const std::string& str) { if (str == "cjson") return Cjson; else if (str == "cml") return Cml; else if (str == "mdl" || str == "mol") return Mdl; else if (str == "pdb") return Pdb; else if (str == "sdf") return Sdf; else if (str == "xyz") return Xyz; return NotUsed; } ScriptEnergy::Protocol ScriptEnergy::stringToProtocol(const std::string& str) { // Check for "binary" mode // this will change if the binary format changes if (str.rfind("binary", 0) == 0) return Protocol::BinaryV1; return Protocol::TextV1; } Io::FileFormat* ScriptEnergy::createFileFormat(ScriptEnergy::Format fmt) { switch (fmt) { case Cjson: return new Io::CjsonFormat; case Cml: return new Io::CmlFormat; case Mdl: return new Io::MdlFormat; case Pdb: return new Io::PdbFormat; case Sdf: return new Io::SdfFormat; case Xyz: return new Io::XyzFormat; default: case NotUsed: return nullptr; } } void ScriptEnergy::resetMetaData() { m_valid = false; m_gradients = false; m_hessians = false; m_ions = false; m_radicals = false; m_unitCells = false; m_inputFormat = NotUsed; m_protocol = Protocol::TextV1; m_identifier.clear(); m_name.clear(); m_description.clear(); m_formatString.clear(); m_elements.reset(); m_userOptionsSchema = QJsonObject(); m_userOptionsValues = QJsonObject(); } void ScriptEnergy::processElementString(const QString& str) { // parse the QString // first turn any commas into whitespace QString str2(str); str2.replace(',', ' '); // then split on whitespace QStringList strList = str2.split(QRegularExpression("\\s+"), Qt::SkipEmptyParts); foreach (QString sstr, strList) { // these should be numbers or ranges (e.g., 1-84) if (sstr.contains('-')) { // range, so split on the dash QStringList strList2 = sstr.split('-'); if (strList2.size() != 2) return; // get the two numbers bool ok; int start = strList2[0].toInt(&ok); if (!ok || start < 1 || start > 119) return; int end = strList2[1].toInt(&ok); if (!ok || end < 1 || end > 119) return; for (int i = start; i <= end; ++i) m_elements.set(i); continue; } bool ok; int i = sstr.toInt(&ok); if (!ok || i < 1 || i > 119) return; m_elements.set(i); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/forcefield/scriptenergy.h000066400000000000000000000110571516317240700303170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTENERGY_H #define AVOGADRO_QTPLUGINS_SCRIPTENERGY_H #include #include #include #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class PythonScript; } namespace QtPlugins { class ScriptEnergy : public Avogadro::Calc::EnergyCalculator { Q_DECLARE_TR_FUNCTIONS(ScriptEnergy) public: /** Formats that may be written to the script's input. */ enum Format { NotUsed, Cjson, Cml, Mdl, Pdb, Sdf, Xyz }; /** Protocol for coordinate/energy/gradient transport. */ enum class Protocol { TextV1, // "binary-v1" uses little-endian float64 values on the wire. BinaryV1 }; ScriptEnergy(const QString& scriptFileName = ""); ~ScriptEnergy() override; /** * Configure the interpreter for package-based (pixi) execution. */ void setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier); /** * Populate metadata fields from a QVariantMap (e.g. from pyproject.toml) * instead of calling the script with --metadata. */ void readMetaData(const QVariantMap& metadata); QString scriptFilePath() const; Format inputFormat() const { return m_inputFormat; } bool isValid() const { return m_valid; } Calc::EnergyCalculator* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description; } std::string userOptions() const override; bool setUserOptions(const std::string& optionsJson) override; Core::Molecule::ElementMask elements() const override { return m_elements; } bool supportsGradients() const { return m_gradients; } bool acceptsIons() const override { return m_ions; } bool acceptsRadicals() const override { return m_radicals; } bool acceptsUnitCell() const override { return m_unitCells; } // This will check if the molecule is valid for this script // and then start the external process void setMolecule(Core::Molecule* mol) override; // energy Real value(const Eigen::VectorXd& x) override; // gradient (which may be unsupported and fall back to numeric) void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; // fused energy + gradient Real evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) override; // hessian (falls back to finite difference if unsupported by script) void hessian(const Eigen::VectorXd& x, Eigen::MatrixXd& hess) override; private: static Format stringToFormat(const std::string& str); static Protocol stringToProtocol(const std::string& str); static Io::FileFormat* createFileFormat(Format fmt); void resetMetaData(); void processElementString(const QString& str); void copyMetaDataFrom(const ScriptEnergy& other); QByteArray writeCoordinatesText(const Eigen::VectorXd& x); QByteArray writeCoordinatesBinary(const Eigen::VectorXd& x, quint16 requestFlags) const; bool parseResponseBinary(const QByteArray& response, quint16 requestFlags, double* energy, Eigen::VectorXd* grad, Eigen::MatrixXd* hess) const; bool readBinaryFrame(const QByteArray& input, QByteArray& frame); bool evaluateBinary(const Eigen::VectorXd& x, quint16 requestFlags, double* energy = nullptr, Eigen::VectorXd* grad = nullptr, Eigen::MatrixXd* hess = nullptr); bool buildBootstrapInput(QByteArray& input) const; private: QtGui::PythonScript* m_interpreter; Format m_inputFormat; Protocol m_protocol; Core::Molecule* m_molecule; // what's supported by this script Core::Molecule::ElementMask m_elements; bool m_valid; bool m_gradients; bool m_hessians; bool m_ions; bool m_radicals; bool m_unitCells; std::string m_identifier; std::string m_name; std::string m_description; QString m_formatString; QJsonObject m_userOptionsSchema; QJsonObject m_userOptionsValues; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SCRIPTENERGY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/000077500000000000000000000000001516317240700256615ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/CMakeLists.txt000066400000000000000000000005041516317240700304200ustar00rootroot00000000000000# Extension set(gamessinput_srcs gamessinputdialog.cpp gamesshighlighter.cpp gamessinput.cpp ) avogadro_plugin(GamessInput "GAMESS input file generation" ExtensionPlugin gamessinput.h GamessInput "${gamessinput_srcs}" gamessinputdialog.ui ) target_link_libraries(GamessInput PRIVATE Avogadro::MoleQueue) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamesshighlighter.cpp000066400000000000000000000224611516317240700320700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2009 Marcus D. Hanwell This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "gamesshighlighter.h" namespace Avogadro::QtPlugins { GamessHighlighter::GamessHighlighter(QTextDocument* parent_) : QSyntaxHighlighter(parent_) { HighlightingRule rule; m_keywordFormat.setForeground(Qt::darkBlue); m_keywordFormat.setFontWeight(QFont::Bold); m_keywords << R"(\s\$BASIS\b)" << R"(\s\$CONTRL\b)" << R"(\s\$SYSTEM\b)" << R"(\s\$ZMAT\b)" << R"(\s\$LIBE\b)" << R"(\s\$SCF\b)" << R"(\s\$SCFMI\b)" << R"(\s\$DFT\b)" << R"(\s\$TDDFT\b)" << R"(\s\$CIS\b)" << R"(\s\$CISVEC\b)" << R"(\s\$MP2\b)" << R"(\s\$CCINP\b)" << R"(\s\$EOMINP\b)" << R"(\s\$MOPAC\b)" << R"(\s\$GUESS\b)" << R"(\s\$VEC\b)" << R"(\s\$MOFRZ\b)" << R"(\s\$STATPT\b)" << R"(\s\$TRUDGE\b)" << R"(\s\$TRURST\b)" << R"(\s\$FORCE\b)" << R"(\s\$CPHF\b)" << R"(\s\$MASS\b)" << R"(\s\$HESS\b)" << R"(\s\$GRAD\b)" << R"(\s\$DIPDR\b)" << R"(\s\$VIB\b)" << R"(\s\$VIB2\b)" << R"(\s\$VSCF\b)" << R"(\s\$VIBSCF\b)" << R"(\s\$GAMMA\b)" << R"(\s\$EQGEOM\b)" << R"(\s\$HLOWT\b)" << R"(\s\$GLOWT\b)" << R"(\s\$IRC\b)" << R"(\s\$DRC\b)" << R"(\s\$MEX\b)" << R"(\s\$MD\b)" << R"(\s\$RDF\b)" << R"(\s\$GLOBOP\b)" << R"(\s\$GRADEX\b)" << R"(\s\$SURF\b)" << R"(\s\$LOCAL\b)" << R"(\s\$TWOEI\b)" << R"(\s\$TRUNCN\b)" << R"(\s\$ELMOM\b)" << R"(\s\$ELPOT\b)" << R"(\s\$ELDENS\b)" << R"(\s\$ELFLDG\b)" << R"(\s\$POINTS\b)" << R"(\s\$GRID\b)" << R"(\s\$PDC\b)" << R"(\s\$MOLGRF\b)" << R"(\s\$STONE\b)" << R"(\s\$RAMAN\b)" << R"(\s\$ALPDR\b)" << R"(\s\$NMR\b)" << R"(\s\$MOROKM\b)" << R"(\s\$FFCALC\b)" << R"(\s\$TDHF\b)" << R"(\s\$TDHFX\b)" << R"(\s\$EFRAG\b)" << R"(\s\$FRAGNAME\b)" << R"(\s\$FRGRPL\b)" << R"(\s\$EWALD\b)" << R"(\s\$MAKEFP\b)" << R"(\s\$PRTEFP\b)" << R"(\s\$DAMP\b)" << R"(\s\$DAMPGS\b)" << R"(\s\$PCM\b)" << R"(\s\$PCMGRD\b)" << R"(\s\$PCMCAV\b)" << R"(\s\$TESCAV\b)" << R"(\s\$NEWCAV\b)" << R"(\s\$IEFPCM\b)" << R"(\s\$PCMITR\b)" << R"(\s\$DISBS\b)" << R"(\s\$DISREP\b)" << R"(\s\$SVP\b)" << R"(\s\$SVPIRF\b)" << R"(\s\$COSGMS\b)" << R"(\s\$SCRF\b)" << R"(\s\$ECP\b)" << R"(\s\$MCP\b)" << R"(\s\$RELWFN\b)" << R"(\s\$EFIELD\b)" << R"(\s\$INTGRL\b)" << R"(\s\$FMM\b)" << R"(\s\$TRANS\b)" << R"(\s\$FMO\b)" << R"(\s\$FMOPRP\b)" << R"(\s\$FMOXYZ\b)" << R"(\s\$OPTFMO\b)" << R"(\s\$FMOHYB\b)" << R"(\s\$FMOBND\b)" << R"(\s\$FMOENM\b)" << R"(\s\$FMOEND\b)" << R"(\s\$OPTRST\b)" << R"(\s\$GDDI\b)" << R"(\s\$ELG\b)" << R"(\s\$DANDC\b)" << R"(\s\$DCCORR\b)" << R"(\s\$SUBSCF\b)" << R"(\s\$SUBCOR\b)" << R"(\s\$MP2RES\b)" << R"(\s\$CCRES\b)" << R"(\s\$CIINP\b)" << R"(\s\$DET\b)" << R"(\s\$CIDET\b)" << R"(\s\$GEN\b)" << R"(\s\$CIGEN\b)" << R"(\s\$ORMAS\b)" << R"(\s\$CEEIS\b)" << R"(\s\$CEDATA\b)" << R"(\s\$GCILST\b)" << R"(\s\$GMCPT\b)" << R"(\s\$PDET\b)" << R"(\s\$ADDDET\b)" << R"(\s\$REMDET\b)" << R"(\s\$SODET\b)" << R"(\s\$DRT\b)" << R"(\s\$CIDRT\b)" << R"(\s\$MCSCF\b)" << R"(\s\$MRMP\b)" << R"(\s\$DETPT\b)" << R"(\s\$MCQDPT\b)" << R"(\s\$CASCI\b)" << R"(\s\$IVOORB\b)" << R"(\s\$CISORT\b)" << R"(\s\$GUGEM\b)" << R"(\s\$GUGDIA\b)" << R"(\s\$GUGDM\b)" << R"(\s\$GUGDM2\b)" << R"(\s\$LAGRAN\b)" << R"(\s\$TRFDM2\b)" << R"(\s\$TRANST\b)" << R"(\s\$DATA\b)"; rule.format = m_keywordFormat; foreach (const QString& pattern, m_keywords) { rule.pattern = QRegularExpression(pattern); m_highlightingRules.append(rule); } rule.pattern = QRegularExpression(R"(\s\$END\b)"); m_highlightingRules.append(rule); m_singleLineCommentFormat.setForeground(Qt::green); rule.pattern = QRegularExpression("![^\n]*"); rule.format = m_singleLineCommentFormat; m_highlightingRules.append(rule); m_numberFormat.setForeground(Qt::blue); rule.pattern = QRegularExpression(R"((\b|[\s-])[0-9]+\.([0-9]+\b)?|\.[0-9]+\b)"); rule.format = m_numberFormat; m_highlightingRules.append(rule); m_numberFormat.setForeground(Qt::blue); rule.pattern = QRegularExpression(R"((\b|[\s-])[0-9]+\.([0-9]+\b)?|\.[0-9]+\b)"); rule.format = m_numberFormat; m_highlightingRules.append(rule); rule.pattern = QRegularExpression(R"((\b|[\s-])[0-9]+([0-9]+\b)?|\.[0-9]+\b)"); rule.format = m_numberFormat; m_highlightingRules.append(rule); m_inDataBlockFormat.setForeground(Qt::gray); m_errorFormat.setForeground(Qt::red); m_errorFormat.setBackground(Qt::yellow); } void GamessHighlighter::highlightBlock(const QString& text) { // Single line comments QRegularExpression pattern("![^\n]*"); QRegularExpressionMatch commentMatch = pattern.match(text); if (commentMatch.hasMatch()) setFormat(commentMatch.capturedStart(), commentMatch.capturedLength(), m_singleLineCommentFormat); setCurrentBlockState(0); int startIndex = 0; int keywordLength = 0; if (previousBlockState() != 1) { foreach (const QString& regexString, m_keywords) { QRegularExpression startExpression( regexString, QRegularExpression::CaseInsensitiveOption); QRegularExpressionMatch startMatch = startExpression.match(text); startIndex = startMatch.capturedStart(); keywordLength = startMatch.capturedLength(); if (startMatch.hasMatch()) { setFormat(startIndex, keywordLength, m_keywordFormat); break; } } } while (startIndex >= 0) { QRegularExpression endExpression(R"(\s\$END\b)", QRegularExpression::CaseInsensitiveOption); QRegularExpressionMatch match = endExpression.match(text, startIndex); int endIndex = match.capturedStart(); int blockLength; if (endIndex == -1) { setCurrentBlockState(1); blockLength = text.length() - startIndex - keywordLength; } else { setFormat(endIndex, match.capturedLength(), m_keywordFormat); blockLength = endIndex - startIndex - keywordLength; } setFormat(startIndex + keywordLength, blockLength, m_inDataBlockFormat); bool found = false; foreach (const QString& regexString, m_keywords) { QRegularExpression newExpression(regexString); QRegularExpressionMatch newMatch = newExpression.match(text, startIndex + blockLength); int index = newMatch.capturedStart(); if (index > startIndex) { found = true; startIndex = index; keywordLength = newMatch.capturedLength(); setFormat(startIndex, keywordLength, m_keywordFormat); break; } } if (!found) break; } if (previousBlockState() == 1) { // Anything outside of data blocks is a comment foreach (const HighlightingRule& rule, m_highlightingRules) { QRegularExpression otherExpression(rule.pattern); otherExpression.setPatternOptions( QRegularExpression::CaseInsensitiveOption); QRegularExpressionMatchIterator iterator = otherExpression.globalMatch(text); while (iterator.hasNext()) { QRegularExpressionMatch otherMatch = iterator.next(); int index = otherMatch.capturedStart(); int length = otherMatch.capturedLength(); setFormat(index, length, rule.format); } } } // Anything over 80 columns will not be read if (text.length() > 80) setFormat(80, text.length(), m_errorFormat); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamesshighlighter.h000066400000000000000000000023731516317240700315350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef GAMESSHIGHLIGHTER_H #define GAMESSHIGHLIGHTER_H #include #include #include #include class QTextDocument; namespace Avogadro { namespace QtPlugins { class GamessHighlighter : public QSyntaxHighlighter { Q_OBJECT public: GamessHighlighter(QTextDocument* parent_ = nullptr); protected: void highlightBlock(const QString& text) override; private: struct HighlightingRule { QRegularExpression pattern; QTextCharFormat format; }; QVector m_highlightingRules; QStringList m_keywords; QRegularExpression m_commentStartExpression; QRegularExpression m_commentEndExpression; QTextCharFormat m_keywordFormat; QTextCharFormat m_numberFormat; QTextCharFormat m_singleLineCommentFormat; QTextCharFormat m_inDataBlockFormat; QTextCharFormat m_errorFormat; }; } // End namespace QtPlugins } // End namespace Avogadro #endif // GAMESSHIGHLIGHTER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamessinput.cpp000066400000000000000000000060121516317240700307230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gamessinput.h" #include "gamessinputdialog.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { using MoleQueue::JobObject; GamessInput::GamessInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&GAMESS…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } GamessInput::~GamessInput() {} QList GamessInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList GamessInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void GamessInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; bool isPeriodic = (m_molecule && m_molecule->unitCell() != nullptr); // GAMESS only handles molecules m_action->setEnabled(!isPeriodic); } void GamessInput::openJobOutput(const JobObject& job) { m_outputFormat = nullptr; m_outputFileName.clear(); QString outputPath(job.value("outputDirectory").toString()); using QtGui::FileFormatDialog; FileFormatDialog::FormatFilePair result = FileFormatDialog::fileToRead( qobject_cast(parent()), tr("Open Output File"), outputPath); if (result.first == nullptr) // User canceled return; m_outputFormat = result.first; m_outputFileName = result.second; emit moleculeReady(1); } bool GamessInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void GamessInput::menuActivated() { if (!m_dialog) { m_dialog = new GamessInputDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(openJobOutput(Avogadro::MoleQueue::JobObject)), this, SLOT(openJobOutput(Avogadro::MoleQueue::JobObject))); } m_dialog->setMolecule(m_molecule); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamessinput.h000066400000000000000000000030341516317240700303710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_GAMESSINPUT_H #define AVOGADRO_QTPLUGINS_GAMESSINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace MoleQueue { class JobObject; } namespace QtPlugins { class GamessInputDialog; class GamessInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit GamessInput(QObject* parent = nullptr); ~GamessInput() override; QString name() const override { return tr("GAMESS input"); } QString description() const override { return tr("Generate input for GAMESS."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; GamessInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_GAMESSINPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamessinputdialog.cpp000066400000000000000000000607741516317240700321220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gamessinputdialog.h" #include "gamesshighlighter.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::MoleQueue::JobObject; using Avogadro::MoleQueue::MoleQueueDialog; using Avogadro::MoleQueue::MoleQueueManager; namespace Avogadro::QtPlugins { enum CalculateOption { CalculateSinglePoint = 0, CalculateEquilibriumGeometry, CalculateTransitionState, CalculateForces, CalculateFrequencies, CalculateMakeEFP, CalculateCount }; enum TheoryOption { TheoryAM1 = 0, TheoryPM3, TheoryRHF, TheoryB3LYP, TheoryPBE0, TheorywB97X, TheorywB97XD, TheoryMP2, TheoryCCSDT, TheoryCRCCL, TheoryEOMCCSD, TheoryCount }; enum BasisOption { BasisSTO3G = 0, BasisSTO4G, BasisSTO5G, BasisSTO6G, BasisMINI, Basis321G, Basis631Gd, Basis631Gdp, Basis631PlusGdp, Basis631PlusG2dp, Basis6311PlusPlusG2dp, BasisMakeEFP, BasisCCD, BasisCCT, BasisCCQ, BasisCC5, BasisCC6, BasisAUGCCD, BasisAUGCCT, BasisAUGCCQ, BasisAUGCC5, BasisAUGCC6, BasisCorePotential, BasisCount }; enum StateOption { StateGas = 0, StateWater, StateCount }; enum MultiplicityOption { MultiplicitySinglet = 0, MultiplicityDoublet, MultiplicityTriplet, MultiplicityCount }; enum ChargeOption { ChargeDication = 0, ChargeCation, ChargeNeutral, ChargeAnion, ChargeDianion, ChargeCount }; enum DispersionCorrectionOption { DispersionNone = 0, DispersionD1, DispersionD2, DispersionD3, DispersionD4, DispersionCount }; GamessInputDialog::GamessInputDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_molecule(nullptr), m_highlighter(nullptr), m_updatePending(false) { ui.setupUi(this); m_highlighter = new GamessHighlighter(ui.previewText->document()); buildOptions(); connectBasic(); connectPreview(); connectButtons(); setBasicDefaults(); updatePreviewText(); } GamessInputDialog::~GamessInputDialog() {} void GamessInputDialog::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; connect(mol, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updateTitlePlaceholder())); updateTitlePlaceholder(); updatePreviewText(); } void GamessInputDialog::showEvent(QShowEvent* e) { QWidget::showEvent(e); // Update the preview text if an update was requested while hidden. Use a // single shot to allow the dialog to show before popping up any warnings. if (m_updatePending) QTimer::singleShot(0, this, SLOT(updatePreviewText())); } void GamessInputDialog::connectBasic() { connect(ui.titleEdit, SIGNAL(textChanged(QString)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.theoryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.theoryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.DCVerCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.DCVerCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.stateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.multiplicityCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.chargeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.maxscfspinBox, SIGNAL(valueChanged(int)), this, SLOT(updatePreviewText())); connect(ui.convergeSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); } void GamessInputDialog::connectPreview() {} void GamessInputDialog::connectButtons() { connect(ui.resetAllButton, SIGNAL(clicked()), SLOT(resetClicked())); connect(ui.defaultsButton, SIGNAL(clicked()), SLOT(defaultsClicked())); connect(ui.generateButton, SIGNAL(clicked()), SLOT(generateClicked())); connect(ui.computeButton, SIGNAL(clicked()), SLOT(computeClicked())); connect(ui.closeButton, SIGNAL(clicked()), SLOT(close())); } void GamessInputDialog::buildOptions() { buildCalculateOptions(); buildTheoryOptions(); buildBasisOptions(); buildDispersionCorrectionOptions(); buildStateOptions(); buildMultiplicityOptions(); buildChargeOptions(); } void GamessInputDialog::updateOptionCache() { m_optionCache.clear(); m_optionCache.insert(ui.calculateCombo, ui.calculateCombo->currentIndex()); m_optionCache.insert(ui.theoryCombo, ui.theoryCombo->currentIndex()); m_optionCache.insert(ui.basisCombo, ui.basisCombo->currentIndex()); m_optionCache.insert(ui.DCVerCombo, ui.DCVerCombo->currentIndex()); m_optionCache.insert(ui.stateCombo, ui.stateCombo->currentIndex()); m_optionCache.insert(ui.multiplicityCombo, ui.multiplicityCombo->currentIndex()); m_optionCache.insert(ui.chargeCombo, ui.chargeCombo->currentIndex()); } void GamessInputDialog::restoreOptionCache() { foreach (QComboBox* combo, m_optionCache.keys()) { combo->blockSignals(true); combo->setCurrentIndex(m_optionCache.value(combo, 0)); combo->blockSignals(false); } } void GamessInputDialog::buildCalculateOptions() { for (int i = 0; i < static_cast(CalculateCount); ++i) { QString text = ""; switch (static_cast(i)) { case CalculateSinglePoint: text = tr("Single Point"); break; case CalculateEquilibriumGeometry: text = tr("Equilibrium Geometry"); break; case CalculateForces: text = tr("Forces"); break; case CalculateTransitionState: text = tr("Transition State"); break; case CalculateFrequencies: text = tr("Frequencies"); break; case CalculateMakeEFP: text = tr("Make EFP"); break; default: break; } ui.calculateCombo->addItem(text); } } void GamessInputDialog::buildTheoryOptions() { for (int i = 0; i < static_cast(TheoryCount); ++i) { QString text = ""; switch (static_cast(i)) { case TheoryAM1: text = "AM1"; break; case TheoryPM3: text = "PM3"; break; case TheoryRHF: text = "RHF"; break; case TheoryB3LYP: text = "B3LYP"; break; case TheoryPBE0: text = "PBE0"; break; case TheorywB97X: text = "wB97X"; break; case TheorywB97XD: text = "wB97X-D"; break; case TheoryMP2: text = "MP2"; break; case TheoryCCSDT: text = "CCSD(T)"; break; case TheoryCRCCL: text = "CR-CCL"; break; case TheoryEOMCCSD: text = "EOM-CCSD"; break; default: break; } ui.theoryCombo->addItem(text); } } void GamessInputDialog::buildBasisOptions() { for (int i = 0; i < static_cast(BasisCount); ++i) { QString text = ""; switch (static_cast(i)) { case BasisSTO3G: text = "STO-3G"; break; case BasisSTO4G: text = "STO-4G"; break; case BasisSTO5G: text = "STO-5G"; break; case BasisSTO6G: text = "STO-6G"; break; case BasisMINI: text = "MINI"; break; case Basis321G: text = "3-21 G"; break; case Basis631Gd: text = "6-31 G(d)"; break; case Basis631Gdp: text = "6-31 G(d,p)"; break; case Basis631PlusGdp: text = "6-31+G(d,p)"; break; case Basis631PlusG2dp: text = "6-31+G(2d,p)"; break; case Basis6311PlusPlusG2dp: text = "6-311++G(2d,p)"; break; case BasisMakeEFP: text = "6-311++G(3df,2p)"; break; case BasisCCD: text = "cc-pVDZ"; break; case BasisCCT: text = "cc-pVTZ"; break; case BasisCCQ: text = "cc-pVQZ"; break; case BasisCC5: text = "cc-pV5Z"; break; case BasisCC6: text = "cc-pV6Z"; break; case BasisAUGCCD: text = "aug-cc-pVDZ"; break; case BasisAUGCCT: text = "aug-cc-pVTZ"; break; case BasisAUGCCQ: text = "aug-cc-pVQZ"; break; case BasisAUGCC5: text = "aug-cc-pV5Z"; break; case BasisAUGCC6: text = "aug-cc-pV6Z"; break; case BasisCorePotential: text = tr("Core Potential"); break; default: break; } ui.basisCombo->addItem(text); } } void GamessInputDialog::buildDispersionCorrectionOptions() { for (int i = 0; i < static_cast(DispersionCount); ++i) { QString text = ""; switch (static_cast(i)) { case DispersionNone: text = tr("None"); break; case DispersionD1: text = tr("D1"); break; case DispersionD2: text = tr("D2"); break; case DispersionD3: text = tr("D3"); break; case DispersionD4: text = tr("D4"); break; default: break; } ui.DCVerCombo->addItem(text); } } void GamessInputDialog::buildStateOptions() { for (int i = 0; i < static_cast(StateCount); ++i) { QString text = ""; switch (static_cast(i)) { case StateGas: text = tr("Gas"); break; case StateWater: text = tr("Water"); break; default: break; } ui.stateCombo->addItem(text); } } void GamessInputDialog::buildMultiplicityOptions() { for (int i = 0; i < static_cast(MultiplicityCount); ++i) { QString text = ""; switch (static_cast(i)) { case MultiplicitySinglet: text = tr("Singlet"); break; case MultiplicityDoublet: text = tr("Doublet"); break; case MultiplicityTriplet: text = tr("Triplet"); break; default: break; } ui.multiplicityCombo->addItem(text); } } void GamessInputDialog::buildChargeOptions() { for (int i = 0; i < static_cast(ChargeCount); ++i) { QString text = ""; switch (static_cast(i)) { case ChargeDication: text = tr("Dication"); break; case ChargeCation: text = tr("Cation"); break; case ChargeNeutral: text = tr("Neutral"); break; case ChargeAnion: text = tr("Anion"); break; case ChargeDianion: text = tr("Dianion"); break; default: break; } ui.chargeCombo->addItem(text); } } void GamessInputDialog::setBasicDefaults() { ui.titleEdit->setText(QString()); ui.calculateCombo->setCurrentIndex(CalculateSinglePoint); ui.theoryCombo->setCurrentIndex(TheorywB97X); ui.basisCombo->setCurrentIndex(Basis631Gd); ui.DCVerCombo->setCurrentIndex(DispersionD4); ui.stateCombo->setCurrentIndex(StateGas); ui.multiplicityCombo->setCurrentIndex(MultiplicitySinglet); ui.chargeCombo->setCurrentIndex(ChargeNeutral); } QString GamessInputDialog::generateJobTitle() const { QString calculation(ui.calculateCombo->currentText()); QString theory(ui.theoryCombo->currentText()); QString basis(ui.basisCombo->currentText()); QString formula(m_molecule ? QString::fromStdString(m_molecule->formula()) : tr("[no molecule]")); // Merge theory/basis into theory theory += "/" + basis; theory.replace(QRegularExpression("\\s+"), ""); return QString("%1 | %2 | %3").arg(formula, calculation, theory); } void GamessInputDialog::updatePreviewText() { // If the dialog is not shown, delay the update in case we need to prompt the // user to overwrite changes. Set the m_updatePending flag to true so we'll // know to update in the show event. if (!isVisible()) { m_updatePending = true; return; } m_updatePending = false; // Has the preview text been modified? if (ui.previewText->document()->isModified()) { QString message = tr("The input file has been modified. " "Would you like to overwrite your changes to reflect " "the new geometry or job options?"); int response = QMessageBox::question( this, tr("Overwrite modified input file?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) != QMessageBox::Yes) { restoreOptionCache(); return; } } // Gather options: QString title(ui.titleEdit->text()); if (title.isEmpty()) title = generateJobTitle(); auto calculate( static_cast(ui.calculateCombo->currentIndex())); auto theory(static_cast(ui.theoryCombo->currentIndex())); auto basis(static_cast(ui.basisCombo->currentIndex())); auto dispersion( static_cast(ui.DCVerCombo->currentIndex())); auto state(static_cast(ui.stateCombo->currentIndex())); auto multiplicity( static_cast(ui.multiplicityCombo->currentIndex())); auto charge(static_cast(ui.chargeCombo->currentIndex())); // Disable basis selection for semiempirical methods. ui.basisCombo->setEnabled(theory != TheoryAM1 && theory != TheoryPM3); bool is_dft = (theory == TheoryB3LYP || theory == TheoryPBE0 || theory == TheorywB97X || theory == TheorywB97XD); ui.DCVerCombo->setEnabled(is_dft); // Generate text. // Variables: QString runTyp; QString scfTyp; QString gBasis; QString mult; QString iCharg; // Extra options for lines QString extraBasis; QString extraContrl; QString extraDFT; // Optional lines QString statPt; QString force; QString pcm; QString maxSCF = QString::number(ui.maxscfspinBox->value()); QString convthresh = QString::number(ui.convergeSpinBox->value()); switch (calculate) { case CalculateSinglePoint: runTyp = "ENERGY"; break; case CalculateEquilibriumGeometry: runTyp = "OPTIMIZE"; statPt = " $STATPT OPTTOL=0.0001 NSTEP=20 $END\n"; break; case CalculateTransitionState: runTyp = "SADPOINT"; statPt = " $STATPT OPTTOL=0.0001 NSTEP=20 $END\n"; break; case CalculateForces: runTyp = "FORCE"; force = " $FORCE METHOD=ANALYTIC $END\n"; break; case CalculateFrequencies: runTyp = "HESSIAN"; force = " $FORCE METHOD=ANALYTIC VIBANL=.TRUE. $END\n"; break; case CalculateMakeEFP: runTyp = "MAKEFP"; basis = BasisMakeEFP; break; default: break; } switch (theory) { case TheoryAM1: gBasis = "AM1"; break; case TheoryPM3: gBasis = "PM3"; break; case TheoryRHF: break; case TheoryB3LYP: extraDFT += " DFTTYP=B3LYP"; break; case TheoryPBE0: extraDFT += " DFTTYP=PBE0"; break; case TheorywB97X: extraDFT += " DFTTYP=wB97X"; break; case TheorywB97XD: extraDFT += " DFTTYP=wB97X-D"; break; case TheoryMP2: extraContrl += " MPLEVL=2"; break; case TheoryCCSDT: extraContrl += " CCTYP=CCSD(T)"; break; case TheoryCRCCL: extraContrl += " CCTYP=CR-CCL"; break; case TheoryEOMCCSD: extraContrl += " CCTYP=EOM-CCSD"; break; default: break; } if (theory != TheoryAM1 && theory != TheoryPM3) { switch (basis) { case BasisSTO3G: gBasis = "STO"; extraBasis += " NGAUSS=3"; break; case BasisSTO4G: gBasis = "STO"; extraBasis += " NGAUSS=4"; break; case BasisSTO5G: gBasis = "STO"; extraBasis += " NGAUSS=5"; break; case BasisSTO6G: gBasis = "STO"; extraBasis += " NGAUSS=6"; break; case BasisMINI: gBasis = "MINI"; break; case Basis321G: gBasis = "N21"; extraBasis += " NGAUSS=3"; break; case Basis631Gd: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=1"; break; case Basis631Gdp: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=1 NPFUNC=1"; break; case Basis631PlusGdp: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=1 NPFUNC=1 DIFFSP=.TRUE."; break; case Basis631PlusG2dp: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=2 NPFUNC=1 DIFFSP=.TRUE."; break; case Basis6311PlusPlusG2dp: gBasis = "N311"; extraBasis += " NGAUSS=6 NDFUNC=2 NPFUNC=1 DIFFSP=.TRUE. DIFFS=.TRUE."; break; case BasisMakeEFP: gBasis = "N311"; extraBasis += " NGAUSS=6 NDFUNC=3 NPFUNC=2 NFFUNC=3 \n DIFFSP=.TRUE. DIFFS=.TRUE."; break; case BasisCCD: gBasis = "ccd"; break; case BasisCCT: gBasis = "cct"; break; case BasisCCQ: gBasis = "ccq"; break; case BasisCC5: gBasis = "cc5"; break; case BasisCC6: gBasis = "cc6"; break; case BasisAUGCCD: gBasis = "accd"; break; case BasisAUGCCT: gBasis = "acct"; break; case BasisAUGCCQ: gBasis = "accq"; break; case BasisAUGCC5: gBasis = "acc5"; break; case BasisAUGCC6: gBasis = "acc6"; break; case BasisCorePotential: gBasis = "SBK"; extraBasis += " NGAUSS=3 NDFUNC=1"; extraContrl += " ECP=SBK"; break; default: break; } } switch (state) { case StateGas: break; case StateWater: pcm = " $PCM SOLVNT=WATER $END\n"; break; default: break; } switch (multiplicity) { case MultiplicitySinglet: scfTyp = "RHF"; mult = "1"; break; case MultiplicityDoublet: scfTyp = "ROHF"; mult = "2"; break; case MultiplicityTriplet: scfTyp = "ROHF"; mult = "3"; break; default: break; } switch (charge) { case ChargeDication: iCharg = "2"; break; case ChargeCation: iCharg = "1"; break; case ChargeNeutral: iCharg = "0"; break; case ChargeAnion: iCharg = "-1"; break; case ChargeDianion: iCharg = "-2"; break; default: break; } if (is_dft) { switch (dispersion) { case DispersionNone: extraDFT += " DC=.F. "; break; case DispersionD1: extraDFT += " DC=.T. IDCVER=1"; break; case DispersionD2: extraDFT += " DC=.T. IDCVER=2"; break; case DispersionD3: extraDFT += " DC=.T. IDCVER=3"; break; case DispersionD4: extraDFT += " DC=.T. IDCVER=4"; break; default: break; } } // build up the input file: QString file; file += "! Input file generated by Avogadro\n"; file += QString(" $BASIS GBASIS=%1%2 $END\n").arg(gBasis, extraBasis); file += pcm; file += QString(" $CONTRL SCFTYP=%1 RUNTYP=%2 ICHARG=%3 MULT=%4%5 $END\n") .arg(scfTyp, runTyp, iCharg, mult, extraContrl); file += QString(" $CONTRL ISPHER=1 MAXIT=%1 $END\n").arg(maxSCF); file += QString(" $SCF DIRSCF=.T. CONV=%1 $END\n").arg(convthresh); if (is_dft) { file += QString(" $DFT %1 $END\n").arg(extraDFT); } file += statPt; file += force; file += "\n"; file += " $DATA\n"; file += QString("%1\n").arg(title); file += "C1\n"; if (m_molecule) { for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); file += QString("%1 %2 %3 %4 %5\n") .arg(Core::Elements::symbol(atom.atomicNumber()), -3) .arg(static_cast(atom.atomicNumber()), 5, 'f', 1) .arg(atom.position3d().x(), 9, 'f', 5) .arg(atom.position3d().y(), 9, 'f', 5) .arg(atom.position3d().z(), 9, 'f', 5); } } file += " $END\n"; ui.previewText->setText(file); ui.previewText->document()->setModified(false); updateOptionCache(); } void GamessInputDialog::resetClicked() { setBasicDefaults(); updatePreviewText(); } void GamessInputDialog::defaultsClicked() { setBasicDefaults(); updatePreviewText(); } void GamessInputDialog::generateClicked() { QSettings settings; QString fileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + ".inp"; QString targetFile = settings.value("gamessInput/outputDirectory", QDir::homePath()).toString(); targetFile = QDir(QFileInfo(targetFile).absoluteDir()).absoluteFilePath(fileName); fileName = QFileDialog::getSaveFileName(this, tr("Save GAMESS input file"), targetFile); // User cancel: if (fileName.isNull()) return; settings.setValue("gamessInput/outputDirectory", fileName); QFile file(fileName); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(ui.previewText->toPlainText().toLocal8Bit()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical(this, tr("Output Error"), tr("Failed to write to file %1.").arg(fileName)); } } void GamessInputDialog::computeClicked() { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } QString description(ui.titleEdit->text()); if (description.isEmpty()) description = generateJobTitle(); QString fileNameBase = ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text(); JobObject job; job.setProgram("GAMESS"); job.setDescription(description); job.setInputFile(QString("%1.inp").arg(fileNameBase), ui.previewText->toPlainText()); MoleQueueDialog::SubmitStatus submitStatus = MoleQueueDialog::submitJob(this, tr("Submit GAMESS Calculation"), job, MoleQueueDialog::WaitForSubmissionResponse | MoleQueueDialog::SelectProgramFromTemplate); switch (submitStatus) { default: case MoleQueueDialog::SubmissionSuccessful: case MoleQueueDialog::SubmissionFailed: case MoleQueueDialog::SubmissionAttempted: case MoleQueueDialog::SubmissionAborted: // The dialog handles these cases adequately, we don't need to do // anything. break; case MoleQueueDialog::JobFailed: // Inform the user: QMessageBox::information(this, tr("Job Failed"), tr("The job did not complete successfully."), QMessageBox::Ok); break; case MoleQueueDialog::JobFinished: // Let the world know that the job is ready to open. job has been // overwritten with the final job details. emit openJobOutput(job); hide(); break; } } void GamessInputDialog::updateTitlePlaceholder() { ui.titleEdit->setPlaceholderText(generateJobTitle()); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamessinputdialog.h000066400000000000000000000037231516317240700315560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef GAMESSINPUTDIALOG_H #define GAMESSINPUTDIALOG_H #include #include #include #include "ui_gamessinputdialog.h" #include class QJsonObject; namespace Avogadro { namespace MoleQueue { class JobObject; } namespace QtGui { class Molecule; } namespace QtPlugins { class GamessHighlighter; class GamessInputDialog : public QDialog { Q_OBJECT public: explicit GamessInputDialog(QWidget* parent_ = nullptr, Qt::WindowFlags f = {}); ~GamessInputDialog() override; void setMolecule(QtGui::Molecule* mol); signals: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const Avogadro::MoleQueue::JobObject& job); protected: void showEvent(QShowEvent* e) override; private slots: void updatePreviewText(); void defaultsClicked(); void resetClicked(); void generateClicked(); void computeClicked(); void updateTitlePlaceholder(); private: void connectBasic(); void connectPreview(); void connectButtons(); void buildOptions(); void updateOptionCache(); void restoreOptionCache(); void buildCalculateOptions(); void buildTheoryOptions(); void buildBasisOptions(); void buildStateOptions(); void buildDispersionCorrectionOptions(); void buildMultiplicityOptions(); void buildChargeOptions(); void setBasicDefaults(); QString generateJobTitle() const; Ui::GamessInputDialog ui; QtGui::Molecule* m_molecule; GamessHighlighter* m_highlighter; bool m_updatePending; QMap m_optionCache; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // GAMESSINPUTDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/gamessinput/gamessinputdialog.ui000066400000000000000000000265101516317240700317430ustar00rootroot00000000000000 GamessInputDialog 0 0 785 660 GAMESS Input 0 1 0 &Basic Setup Qt::Horizontal 40 20 In: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter stateCombo MAX SCF 999 50 Qt::Horizontal 40 20 CONV THRESH 8 0.000010000000000 0.000010000000000 Qt::Horizontal 40 20 Multiplicity: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter multiplicityCombo With: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter theoryCombo Title: titleEdit Qt::Horizontal 40 20 Qt::Horizontal 40 20 Qt::Horizontal 16 20 Charge: chargeCombo Qt::Horizontal 40 20 Calculate: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter calculateCombo Qt::Vertical 20 0 Filename Base: job Reset All Defaults Qt::Horizontal QSizePolicy::MinimumExpanding 10 20 Submit Calculation… Save File… Close modeTab titleEdit calculateCombo theoryCombo basisCombo stateCombo multiplicityCombo chargeCombo previewText resetAllButton defaultsButton generateButton closeButton OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/hydrogens/000077500000000000000000000000001516317240700253245ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/hydrogens/CMakeLists.txt000066400000000000000000000002301516317240700300570ustar00rootroot00000000000000avogadro_plugin(Hydrogens "Extension that adds/removes hydrogens on a molecule." ExtensionPlugin hydrogens.h Hydrogens "hydrogens.cpp" "" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/hydrogens/hydrogens.cpp000066400000000000000000000064241516317240700300400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "hydrogens.h" #include #include #include #include #include namespace Avogadro::QtPlugins { Hydrogens::Hydrogens(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr) { auto* action = new QAction(tr("&Adjust Hydrogens"), this); action->setShortcut(QKeySequence("Ctrl+Alt+H")); action->setProperty("menu priority", 760); connect(action, SIGNAL(triggered()), SLOT(adjustHydrogens())); m_actions.append(action); action = new QAction(tr("Add Hydrogens"), this); action->setProperty("menu priority", 750); connect(action, SIGNAL(triggered()), SLOT(addHydrogens())); m_actions.append(action); action = new QAction(tr("Remove E&xtra Hydrogens"), this); action->setProperty("menu priority", 740); connect(action, SIGNAL(triggered()), SLOT(removeHydrogens())); m_actions.append(action); action = new QAction(tr("&Remove All Hydrogens"), this); action->setProperty("menu priority", 730); connect(action, SIGNAL(triggered()), SLOT(removeAllHydrogens())); m_actions.append(action); } Hydrogens::~Hydrogens() {} QString Hydrogens::description() const { return tr("Add/remove hydrogens from the current molecule."); } QList Hydrogens::actions() const { return m_actions; } QStringList Hydrogens::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("&Hydrogens"); } void Hydrogens::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Hydrogens::adjustHydrogens() { if (m_molecule) { QtGui::HydrogenTools::adjustHydrogens(*(m_molecule->undoMolecule()), QtGui::HydrogenTools::AddAndRemove); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Added | QtGui::Molecule::Removed); } } void Hydrogens::addHydrogens() { if (m_molecule) { QtGui::HydrogenTools::adjustHydrogens(*(m_molecule->undoMolecule()), QtGui::HydrogenTools::Add); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Added); } } void Hydrogens::removeHydrogens() { if (m_molecule) { QtGui::HydrogenTools::adjustHydrogens(*(m_molecule->undoMolecule()), QtGui::HydrogenTools::Remove); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } } void Hydrogens::removeAllHydrogens() { if (m_molecule) { QtGui::HydrogenTools::removeAllHydrogens(*(m_molecule->undoMolecule())); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/hydrogens/hydrogens.h000066400000000000000000000023241516317240700275000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_HYDROGENS_H #define AVOGADRO_QTPLUGINS_HYDROGENS_H #include namespace Avogadro { namespace QtPlugins { /** * @brief The Hydrogens class is an extension to modify hydrogens. */ class Hydrogens : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Hydrogens(QObject* parent_ = nullptr); ~Hydrogens() override; QString name() const override { return tr("Hydrogens"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void adjustHydrogens(); void addHydrogens(); void removeHydrogens(); void removeAllHydrogens(); private: QList m_actions; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_HYDROGENS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/000077500000000000000000000000001516317240700253575ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/CMakeLists.txt000066400000000000000000000007221516317240700301200ustar00rootroot00000000000000# Extension set(importpqr_srcs importpqr.cpp pqrwidget.cpp pqrrequest.cpp ) avogadro_plugin(ImportPQR "Download molecules from the Pitt Quantum Repository" ExtensionPlugin importpqr.h ImportPQR "${importpqr_srcs}" pqrwidget.ui "" ) target_link_libraries(ImportPQR PRIVATE Qt::Network nlohmann_json::nlohmann_json) if(WIN32) # for https support target_link_libraries(ImportPQR PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/importpqr.cpp000066400000000000000000000045351516317240700301270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "importpqr.h" #include "pqrwidget.h" #include #include #include #include #include namespace Avogadro::QtPlugins { ImportPQR::ImportPQR(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr), m_manager(new QNetworkAccessManager(this)) { m_action->setEnabled(false); m_action->setText(tr("&Search PQR…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); // check if PQR is up connect(m_manager, SIGNAL(finished(QNetworkReply*)), SLOT(checkAccess(QNetworkReply*))); m_manager->get(QNetworkRequest(QUrl("https://pqr.pitt.edu"))); } ImportPQR::~ImportPQR() { delete m_outputFormat; m_manager->deleteLater(); } void ImportPQR::checkAccess(QNetworkReply* reply) { // only enable if we can access the site if (reply->error() == QNetworkReply::NoError) { m_action->setEnabled(true); } reply->deleteLater(); } QList ImportPQR::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList ImportPQR::menuPath(QAction*) const { QStringList path; path << tr("&File") << tr("&Import"); return path; } void ImportPQR::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool ImportPQR::readMolecule(QtGui::Molecule& mol) { bool readOK = Io::FileFormatManager::instance().readString( mol, m_moleculeData.data(), "mol2"); if (readOK) // worked, so set the filename mol.setData("name", m_moleculeName.toStdString()); return readOK; } void ImportPQR::menuActivated() { if (!m_dialog) m_dialog = new PQRWidget(qobject_cast(this), this); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } // called by widget void ImportPQR::setMoleculeData(QByteArray& molData, QString name) { m_moleculeName = name; m_moleculeData = molData; m_dialog->hide(); emit moleculeReady(1); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/importpqr.h000066400000000000000000000032421516317240700275660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_IMPORTPQR_H #define AVOGADRO_QTPLUGINS_IMPORTPQR_H #include #include #include #include #include #include class QAction; class QDialog; namespace Avogadro { namespace QtPlugins { class PQRWidget; class ImportPQR : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ImportPQR(QObject* parent = nullptr); ~ImportPQR() override; QString name() const override { return tr("Import From PQR"); } QString description() const override { return tr("Download a molecule from PQR."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMoleculeData(QByteArray& molData, QString name); public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); void checkAccess(QNetworkReply* reply); private: QAction* m_action; QtGui::Molecule* m_molecule; PQRWidget* m_dialog; const Io::FileFormat* m_outputFormat; QString m_moleculeName; QString m_moleculePath; QByteArray m_moleculeData; QNetworkAccessManager* m_manager; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_IMPORTPQR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/pqrrequest.cpp000066400000000000000000000165531516317240700303100ustar00rootroot00000000000000#include "pqrrequest.h" #include "pqrwidget.h" #include #include using json = nlohmann::json; namespace Avogadro::QtPlugins { /** * @brief Constructor to initialize the NetworkAccessManager and set pointers to * the widget's ui elements. */ PQRRequest::PQRRequest(QTableWidget* tw, QLabel* gv, QLineEdit* nd, QLabel* fd, PQRWidget* w) { // set pointers to ui elements now instead of in individual functions table = tw; // pointer to ui table pngPreview = gv; // png QLabel nameDisplay = nd; // name formulaDisplay = fd; // formula // used to load molecule in Avogadro when downloaded widget = w; oNetworkAccessManager = new QNetworkAccessManager(this); } /** * @brief Free the ui pointers */ PQRRequest::~PQRRequest() { delete oNetworkAccessManager; } /** * @brief Sends a network request to search for molecules from PQR; * @param url The url to query */ void PQRRequest::sendRequest(QString url) { reply = oNetworkAccessManager->get(QNetworkRequest(QUrl(url))); connect(reply, SIGNAL(finished()), this, SLOT(parseJson())); } /** * @brief Sends a network request to download a file from PQR * @param url The url to send the request to * @param mol2 The mol2 representation of the molecule to download */ void PQRRequest::sendRequest(QString url, QString) { reply = oNetworkAccessManager->get(QNetworkRequest(QUrl(url))); currentMolName = nameDisplay->text(); // needed to load mol into Avogadro connect(reply, SIGNAL(finished()), this, SLOT(getFile())); } /** * @brief Sends a network request to download a png form PQR * @param url The url to send the request to */ void PQRRequest::sendPNGRequest(QString url) { reply = oNetworkAccessManager->get(QNetworkRequest(QUrl(url))); connect(reply, SIGNAL(finished()), this, SLOT(SetPNG())); } /** * @brief Called when a molecule is selected to display information about the * molecule and start grabbing the SVG preview. * @param num The row number of the table result selected * @returns The mol2 of the result for the widget to reference */ QString PQRRequest::molSelected(int num) { if (results.empty() || num > static_cast(results.size())) return QString("N/A"); QString mol2 = results[num].mol2url; QString url = "https://pqr.pitt.edu/static/data/png/" + mol2 + ".png"; sendPNGRequest(url); formulaDisplay->setText(parseSubscripts(results[num].formula)); nameDisplay->setText(results[num].name); return mol2; } /** * @brief Parses the JSON response from querying PQR */ void PQRRequest::parseJson() { if (reply->error() == QNetworkReply::NoError) { // Reading the data from the response QByteArray bytes = reply->readAll(); // parse the json json root = json::parse(bytes.data()); int resultSize = root.size(); results.clear(); if (resultSize == 0) { table->setRowCount(1); table->setItem(0, 0, new QTableWidgetItem("No Results!")); table->setCellWidget(0, 1, new QLabel()); table->setItem(0, 2, new QTableWidgetItem("N/A")); } else { table->setRowCount(resultSize); for (int i = 0; i < resultSize; i++) { results.emplace_back(); // Loop through the keys for (auto it = root[i].cbegin(); it != root[i].cend(); ++it) { if (it.key() == "formula" && it.value().is_string()) results[i].formula = it.value().get().c_str(); else if (it.key() == "inchikey" && it.value().is_string()) results[i].inchikey = it.value().get().c_str(); else if (it.key() == "mol2url" && it.value().is_string()) results[i].mol2url = it.value().get().c_str(); else if (it.key() == "name" && it.value().is_string()) results[i].name = it.value().get().c_str(); } results[i].mass = getMolMass(results[i].formula); table->setItem(i, 0, new QTableWidgetItem(results[i].name)); // clear possible QTableWidget if there were no results previously table->setItem(i, 1, nullptr); // use this to display subscripts, should automatically delete previous // QLabel according to documentation table->setCellWidget(i, 1, new QLabel(parseSubscripts(results[i].formula))); // table->setItem(i, 2, new // QTableWidgetItem(QString::number(results[i].mass, 'f', 3) + QString(" // g/mol"))); auto* massItem = new QTableWidgetItem(); massItem->setData(Qt::DisplayRole, results[i].mass); table->setItem(i, 2, massItem); } } } else { table->setRowCount(3); table->setItem(0, 0, new QTableWidgetItem("Network Error!")); table->setItem(0, 1, new QTableWidgetItem("N/A")); table->setItem(0, 2, new QTableWidgetItem(reply->errorString())); } reply->deleteLater(); } /** * @brief Creates a file after requesting a file from PQR */ void PQRRequest::getFile() { QByteArray molData = reply->readAll(); widget->loadMolecule(molData, currentMolName); reply->deleteLater(); } /** * @brief Loads PNG data after sending a request */ void PQRRequest::SetPNG() { QByteArray pngData = reply->readAll(); widget->loadPNG(pngData); reply->deleteLater(); } /** * @brief Takes a formula string and returns a QString with subscript tags * @param formula The formula string */ QString PQRRequest::parseSubscripts(QString formula) { std::string str = formula.toStdString(); QString toReturn; for (char i : str) { if (isdigit(i)) { toReturn.append(""); toReturn.append(i); toReturn.append(""); } else { toReturn.append(i); } } return toReturn; } /** * @brief Takes a formula string and returns the molecular mass of the molecule * @param formula The formula string */ float PQRRequest::getMolMass(QString formula) { std::string str = formula.toStdString(); float totalMass = 0.0; int subscript = 1; std::string element; unsigned char atomicNum; for (size_t i = 0; i < str.length(); i++) { // each element will start with a capital letter if (isupper(str[i])) { // if next letter is a lower case then we know the whole element if (islower(str[i + 1])) { element = { str[i], str[i + 1] }; // this might be the last element of the formula if (isdigit(str[i + 2])) { subscript = (int)str[i + 2] - '0'; i += 2; // increment past lowercase and numeral } else { i += 1; subscript = 1; } } // get the subscript else if (isdigit(str[i + 1])) { if (isdigit(str[i + 2])) { // might be 2 digit subscript subscript = (int)str[i + 1] - '0'; subscript *= 10; // shift forward one decimal place subscript += (int)str[i + 2] - '0'; element = { str[i] }; i += 2; } else { subscript = (int)str[i + 1] - '0'; element = { str[i] }; i += 1; } } // if the next letter is another uppercase or null, the current subscript // is 1 else if (isupper(str[i + 1]) || str[i + 1] == 0) { subscript = 1; element = { str[i] }; } atomicNum = Core::Elements::atomicNumberFromSymbol(element); totalMass += (subscript * Core::Elements::mass(atomicNum)); } } return totalMass; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/pqrrequest.h000066400000000000000000000071221516317240700277450ustar00rootroot00000000000000#ifndef PQRREQUEST_H #define PQRREQUEST_H #include #include #include #include #include #include #include #include #include #include #include #include #include #include /** * @brief The PQRRequest class sends and receives network requests to PQR and * updates ui elements from the widget. */ namespace Avogadro { namespace QtPlugins { class PQRWidget; class PQRRequest : public QObject { Q_OBJECT public: /** * @brief Constructor to initialize the NetworkAccessManager and set pointers * to the widget's ui elements. * @param tw Pointer to ui's table widget * @param gv Pointer to ui's graphics view for SVG preview * @param nd Pointer to the name display * @param fd Pointer to the formula display */ PQRRequest(QTableWidget*, QLabel*, QLineEdit*, QLabel*, PQRWidget*); /** * @brief Free the ui pointers */ ~PQRRequest() override; /** * @brief Sends a network request to search for molecules from PQR; * @param url The url to query */ void sendRequest(QString); /** * @brief Sends a network request to download a file from PQR * @param url The url to send the request to * @param mol2 The mol2 representation of the molecule to download */ void sendRequest(QString, QString); /** * @brief Sends a network request to download a png form PQR * @param url The url to send the request to */ void sendPNGRequest(QString url); /** * @brief Called when a molecule is selected to display information about the * molecule and start grabbing the SVG preview. * @param num The row number of the table result selected * @returns The mol2 of the result for the widget to reference */ QString molSelected(int); private slots: /** * @brief Parses the JSON response from querying PQR */ void parseJson(); /** * @brief Creates a file after requesting a file from PQR */ void getFile(); /** * @brief Loads PNG data after sending a request */ void SetPNG(); private: /** * @brief The result struct holds all data received in each result from * querying PQR */ struct result { QString inchikey; QString name; QString mol2url; QString formula; float mass; // Default constructor result() : inchikey("Error"), name("Error"), mol2url("Error"), formula("Error"), mass(-1.0) { } }; /** An array to hold all results from a query */ std::vector results; /** Holds a reply from a network request */ QNetworkReply* reply; /** Used to send/receive network request */ QNetworkAccessManager* oNetworkAccessManager; /** Used to parse JSON results */ QVariantMap m_jsonResult; /** Pointer to dialog */ PQRWidget* widget; /** Pointers to a widget's ui elements */ QTableWidget* table; QLineEdit* nameDisplay; QLabel* formulaDisplay; QLabel* pngPreview; /** Variables to fold file download information for getFile() */ QString currentMolName; /** * @brief Takes a formula string and returns a QString with subscript tags * @param formula The formula string */ QString parseSubscripts(QString); /** * @brief Takes a formula string and returns the molecular mass of the * molecule * @param formula The formula string */ float getMolMass(QString); }; } // namespace QtPlugins } // namespace Avogadro #endif // PQRRequest_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/pqrwidget.cpp000066400000000000000000000053731516317240700301010ustar00rootroot00000000000000#include "pqrwidget.h" #include "importpqr.h" #include "pqrrequest.h" #include "ui_pqrwidget.h" namespace Avogadro::QtPlugins { PQRWidget::PQRWidget(QWidget* parent, ImportPQR* p) : QDialog(parent), ui(new Ui::PQRWidget) { plugin = p; ui->setupUi(this); ui->tableWidget->setColumnCount(3); ui->tableWidget->setHorizontalHeaderLabels(QStringList() << "Name" << "Formula" << "Mass (g/mol)"); ui->tableWidget->horizontalHeader()->setStretchLastSection(true); ui->tableWidget->setEditTriggers(QAbstractItemView::NoEditTriggers); ui->tableWidget->setSelectionBehavior(QAbstractItemView::SelectRows); ui->tableWidget->setSortingEnabled(true); connect(ui->searchButton, SIGNAL(clicked(bool)), this, SLOT(searchAction())); connect(ui->downloadButton, SIGNAL(clicked(bool)), this, SLOT(downloadMol())); connect(ui->tableWidget, SIGNAL(cellClicked(int, int)), this, SLOT(molSelected(int, int))); request = new PQRRequest(ui->tableWidget, ui->pngPreview, ui->nameDisplay, ui->formulaDisplay, this); } PQRWidget::~PQRWidget() { delete request; delete ui; } /** * @brief Called when the search button is clicked to send a query to PQR */ void PQRWidget::searchAction() { ui->downloadButton->setEnabled(false); QString url = "https://pqr.pitt.edu/api/browse/" + ui->molName->text() + "/" + ui->searchTypeBox->currentText(); request->sendRequest(url); } /** * @brief Called when a table result is double clicked to display preview * information about the result before downloading. * @param row The row of the result selected. * @param col The column of the result selected. */ void PQRWidget::molSelected(int row, int) { currentlySelectedMol = request->molSelected(row); if (currentlySelectedMol == "N/A") return; ui->downloadButton->setEnabled(true); } /** * @brief Called when PNG data is ready to be loaded */ void PQRWidget::loadPNG(QByteArray& pngData) { QPixmap pixmap; pixmap.loadFromData(pngData, "PNG"); pixmap = pixmap.scaled(300, 300); ui->pngPreview->setPixmap(pixmap); ui->pngPreview->show(); } /** * @brief Called when the download button is clicked to send a request to * download molecule information from PQR. */ void PQRWidget::downloadMol() { QString mol2url = currentlySelectedMol; if (mol2url != "N/A" && mol2url != "") { mol2url.remove(0, 3); // remove first 3 characters to map to PQR's url QString url = "https://pqr.pitt.edu/api/mol/" + mol2url; request->sendRequest(url, mol2url); } } void PQRWidget::loadMolecule(QByteArray& molData, QString name) { plugin->setMoleculeData(molData, name); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/pqrwidget.h000066400000000000000000000035231516317240700275410ustar00rootroot00000000000000#ifndef AVOGADRO_PQRWIDGET_H #define AVOGADRO_PQRWIDGET_H #include #include #include #include #include #include #include #include #include #include #include /** * PQRWidget is a class extending QDialog to provide the ui for * importing/downloading * molecules from PQR. */ namespace Ui { class PQRWidget; } namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class PQRRequest; class ImportPQR; class PQRWidget : public QDialog { Q_OBJECT public: PQRWidget(QWidget* parent = nullptr, ImportPQR* p = nullptr); ~PQRWidget() override; void loadMolecule(QByteArray&, QString); void loadPNG(QByteArray&); private slots: /** * @brief Called when the search button is clicked to send a query to PQR */ void searchAction(); /** * @brief Called when a table result is double clicked to display preview * information * about the result before downloading. * @param row The row of the result selected. * @param col The column of the result selected. */ void molSelected(int, int); /** * @brief Called when the download button is clicked to send a request to * download * molecule information from PQR. */ void downloadMol(); private: /** The mol2 of the molecule result currently selected */ QString currentlySelectedMol; /** Pointer to the ui objects */ Ui::PQRWidget* ui; /** Pointer to a PQRRequest object to handle network requests */ PQRRequest* request; /** Pointer to the plugin that opened the dialog */ ImportPQR* plugin; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_PQRWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/importpqr/pqrwidget.ui000066400000000000000000000111411516317240700277220ustar00rootroot00000000000000 PQRWidget 0 0 1087 674 0 0 Import From PQR… 0 0 Search 0 0 name tag synonym formula inchi 0 0 Search By: true Formula: 5 0 750 500 false Download Name: 0 0 300 300 300 300 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertdna/000077500000000000000000000000001516317240700253115ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertdna/CMakeLists.txt000066400000000000000000000003341516317240700300510ustar00rootroot00000000000000avogadro_plugin(NucleicInput "Insert DNA/RNA sequences." ExtensionPlugin insertdna.h InsertDna "insertdna.cpp" "insertdnadialog.ui" ) target_link_libraries(NucleicInput PRIVATE nlohmann_json::nlohmann_json) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertdna/insertdna.cpp000066400000000000000000000137101516317240700300060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "insertdna.h" #include "ui_insertdnadialog.h" #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using Avogadro::Io::FileFormat; using Avogadro::QtGui::FileFormatDialog; namespace Avogadro::QtPlugins { class InsertDNADialog : public QDialog, public Ui::InsertDNADialog { public: InsertDNADialog(QWidget* parent = nullptr) : QDialog(parent) { setWindowFlags(Qt::Dialog | Qt::Tool); setupUi(this); } }; InsertDna::InsertDna(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_reader(nullptr), m_dialog(nullptr) { auto* action = new QAction(tr("DNA/RNA…"), this); action->setProperty("menu priority", 870); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } InsertDna::~InsertDna() { delete m_reader; } QList InsertDna::actions() const { return m_actions; } QStringList InsertDna::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("&Insert"); } void InsertDna::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void InsertDna::showDialog() { if (m_molecule == nullptr) return; // check to see if FASTA format is available from Open Babel QWidget* parentAsWidget = qobject_cast(parent()); const FileFormat::Operations ops = FileFormat::Read | FileFormat::String; const FileFormat* fmt = FileFormatDialog::findFileFormat( parentAsWidget, tr("Insert DNA/RNA…"), QString("file.fasta"), ops); if (fmt == nullptr) { return; } else { m_reader = fmt->newInstance(); } // Prompt user for input: if (m_dialog == nullptr) { constructDialog(); } m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } void InsertDna::constructDialog() { if (m_dialog == nullptr) { m_dialog = new InsertDNADialog(qobject_cast(parent())); auto* numStrands = new QButtonGroup(m_dialog); numStrands->addButton(m_dialog->singleStrandRadio, 0); numStrands->addButton(m_dialog->doubleStrandRadio, 1); numStrands->setExclusive(true); connect(m_dialog->insertButton, SIGNAL(clicked()), this, SLOT(performInsert())); connect(m_dialog->bpCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateBPTurns(int))); connect(m_dialog->typeComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(changeNucleicType(int))); // Set the nucleic buttons to update the sequence foreach (const QToolButton* child, m_dialog->findChildren()) { connect(child, SIGNAL(clicked()), this, SLOT(updateText())); } connect(m_dialog, SIGNAL(destroyed()), this, SLOT(dialogDestroyed())); } m_dialog->sequenceText->setPlainText(QString()); } void InsertDna::updateText() { auto* button = qobject_cast(sender()); if (button) { QString sequenceText = m_dialog->sequenceText->toPlainText(); sequenceText += button->text(); m_dialog->sequenceText->setPlainText(sequenceText); } } void InsertDna::updateBPTurns(int type) { switch (type) { case 0: // A-DNA m_dialog->bpTurnsSpin->setValue(11.0); break; case 1: // B-DNA m_dialog->bpTurnsSpin->setValue(10.5); break; case 2: // Z-DNA m_dialog->bpTurnsSpin->setValue(12.0); break; default: // anything the user wants break; } } void InsertDna::changeNucleicType(int type) { if (type == 1) { // RNA m_dialog->bpCombo->setCurrentIndex(3); // other m_dialog->bpTurnsSpin->setValue(11.0); // standard RNA m_dialog->singleStrandRadio->setChecked(true); m_dialog->singleStrandRadio->setEnabled(false); m_dialog->doubleStrandRadio->setEnabled(false); m_dialog->toolButton_TU->setText(tr("U", "uracil")); m_dialog->toolButton_TU->setToolTip(tr("Uracil")); return; } // DNA m_dialog->singleStrandRadio->setEnabled(true); m_dialog->doubleStrandRadio->setEnabled(true); m_dialog->toolButton_TU->setText(tr("T", "thymine")); m_dialog->toolButton_TU->setToolTip(tr("Thymine")); } void InsertDna::performInsert() { if (m_dialog == nullptr || m_molecule == nullptr || m_reader == nullptr) return; QString sequence = m_dialog->sequenceText->toPlainText().toLower(); bool dna = (m_dialog->typeComboBox->currentIndex() == 0); if (sequence.isEmpty()) return; // also nothing to do // Add DNA/RNA tag for FASTA sequence = '>' + m_dialog->typeComboBox->currentText() + '\n' + sequence; // options // if DNA, check if the user wants single-strands json options; json arguments; // if it's DNA, allow single-stranded if (dna && m_dialog->singleStrandRadio->isChecked()) arguments.push_back("-a1"); // Add the number of turns QString turns = QString("-at %1").arg(m_dialog->bpTurnsSpin->value()); arguments.push_back(turns.toStdString()); options["arguments"] = arguments; options["format"] = "pdb"; QProgressDialog progDlg; progDlg.setModal(true); progDlg.setWindowTitle(tr("Insert Molecule…")); progDlg.setLabelText(tr("Generating 3D molecule…")); progDlg.setRange(0, 0); progDlg.setValue(0); progDlg.show(); QtGui::Molecule newMol; m_reader->setOptions(options.dump()); m_reader->readString(sequence.toStdString(), newMol); m_molecule->undoMolecule()->appendMolecule(newMol, "Insert Molecule"); emit requestActiveTool("Manipulator"); } void InsertDna::dialogDestroyed() { m_dialog = nullptr; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertdna/insertdna.h000066400000000000000000000030601516317240700274500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_INSERTDNA_H #define AVOGADRO_QTPLUGINS_INSERTDNA_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class InsertDNADialog; /** * @brief Load single-line molecule descriptors through an input dialog. */ class InsertDna : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit InsertDna(QObject* parent_ = nullptr); ~InsertDna() override; QString name() const override { return tr("InsertDNA"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); void performInsert(); void updateText(); void updateBPTurns(int type); void changeNucleicType(int type); void dialogDestroyed(); private: QList m_actions; QtGui::Molecule* m_molecule; Io::FileFormat* m_reader; InsertDNADialog* m_dialog; void constructDialog(); }; inline QString InsertDna::description() const { return tr("Insert DNA / RNA fragments through a dialog."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_INSERTDNA_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertdna/insertdnadialog.ui000066400000000000000000000162761516317240700310330ustar00rootroot00000000000000 InsertDNADialog 0 0 365 384 Insert Nucleic Acids DNA/RNA Builder DNA RNA Nucleic Acids: Adenine A Cytosine C Guanine G Thymine T Qt::Horizontal 40 20 Sequence: Qt::StrongFocus the number of base pairs per helix turn 1 A B Z Other the number of base pairs per helix turn 1 0.000000000000000 15.000000000000000 10.500000000000000 Bases Per Turn: Strands: Single Double true Qt::Horizontal 40 20 Insert true Qt::Horizontal 40 20 Qt::Vertical 20 0 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertfragment/000077500000000000000000000000001516317240700263525ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertfragment/CMakeLists.txt000066400000000000000000000026301516317240700311130ustar00rootroot00000000000000include(ExternalProject) avogadro_plugin(InsertFragment "Insert molecular fragments and crystals." ExtensionPlugin insertfragment.h InsertFragment insertfragment.cpp ) # Install the fragments & crystals # TODO - make this a for loop set(_molecules "${AvogadroLibs_SOURCEDATA_DIR}/molecules") set(_crystals "${AvogadroLibs_SOURCEDATA_DIR}/crystals") # Look in parallel directory for the molecule fragment repository if(NOT EXISTS "${_molecules}") # download molecules... ExternalProject_Add(molecules GIT_REPOSITORY https://github.com/openchemistry/molecules # or https://github.com/OpenChemistry/molecules/archive/refs/heads/master.zip SOURCE_DIR "${AvogadroLibs_SOURCEDATA_DIR}/molecules" CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) endif() install(DIRECTORY "${AvogadroLibs_SOURCEDATA_DIR}/molecules" DESTINATION "${INSTALL_DATA_DIR}/avogadro2" PATTERN ".git" EXCLUDE ) # crystals if(NOT EXISTS "${_crystals}") # download molecules... ExternalProject_Add(crystals GIT_REPOSITORY https://github.com/openchemistry/crystals # or https://github.com/OpenChemistry/crystals/archive/refs/heads/master.zip SOURCE_DIR "${AvogadroLibs_SOURCEDATA_DIR}/crystals" CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) endif() install(DIRECTORY "${AvogadroLibs_SOURCEDATA_DIR}/crystals" DESTINATION "${INSTALL_DATA_DIR}/avogadro2" PATTERN ".git" EXCLUDE ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertfragment/insertfragment.cpp000066400000000000000000000105161516317240700321110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "insertfragment.h" #include #include #include #include #include #include #include #include #include #include using Avogadro::Io::FileFormatManager; using Avogadro::QtGui::InsertFragmentDialog; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { InsertFragment::InsertFragment(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_moleculeDialog(nullptr), m_crystalDialog(nullptr), m_molecule(nullptr), m_reader(nullptr) { auto* action = new QAction(tr("Molecule…"), this); action->setProperty("menu priority", 890); action->setData("molecules"); // will also work for crystals connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(tr("Crystal…"), this); action->setData("crystals"); // will also work for crystals action->setProperty("menu priority", 170); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } InsertFragment::~InsertFragment() { delete m_reader; } QList InsertFragment::actions() const { return m_actions; } QStringList InsertFragment::menuPath(QAction* action) const { if (action->data() == "crystals") return QStringList() << tr("&File") << tr("&Import"); else return QStringList() << tr("&Build") << tr("&Insert"); } void InsertFragment::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void InsertFragment::showDialog() { if (!m_molecule) return; QWidget* parentAsWidget = qobject_cast(parent()); auto* theSender = qobject_cast(sender()); // Prompt user for input: bool crystal = theSender->data().toString() == "crystals"; if (crystal) { // create the dialog if it doesn't exist if (!m_crystalDialog) { m_crystalDialog = new InsertFragmentDialog(parentAsWidget, "crystals"); connect(m_crystalDialog, &InsertFragmentDialog::performInsert, this, &InsertFragment::performInsert); } m_crystalDialog->show(); m_crystalDialog->raise(); m_crystalDialog->activateWindow(); } else { // fragments - create the dialog if it doesn't exist if (!m_moleculeDialog) { m_moleculeDialog = new InsertFragmentDialog(parentAsWidget, "molecules"); connect(m_moleculeDialog, &InsertFragmentDialog::performInsert, this, &InsertFragment::performInsert); } m_moleculeDialog->show(); m_moleculeDialog->raise(); m_moleculeDialog->activateWindow(); } } void InsertFragment::performInsert(const QString& fileName, bool crystal) { if (m_molecule == nullptr) return; // read the file into the new fragment Avogadro::QtGui::Molecule newMol(m_molecule->parent()); bool ok = Io::FileFormatManager::instance().readFile(newMol, fileName.toStdString()); if (!ok) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error reading file (%1).").arg(fileName)); return; } if (crystal) { Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::UnitCell | Molecule::NewCrystal | Molecule::Added | Molecule::Removed); // remove any bonds from newMol newMol.clearBonds(); m_molecule->undoMolecule()->modifyMolecule(newMol, changes, tr("Import Crystal")); // set the name std::string name = newMol.data("name").toString(); if (!name.empty()) m_molecule->setData("name", name); else { name = QFileInfo(fileName).baseName().toStdString(); m_molecule->setData("name", name); } emit requestActiveTool("Navigator"); } else { // insert mol into m_molecule m_molecule->undoMolecule()->appendMolecule(newMol, tr("Insert Fragment")); emit requestActiveTool("Manipulator"); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertfragment/insertfragment.h000066400000000000000000000032131516317240700315520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_INSERTFRAGMENT_H #define AVOGADRO_QTPLUGINS_INSERTFRAGMENT_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class InsertFragmentDialog; } namespace QtPlugins { /** * @brief Load molecules through a tree browser. */ class InsertFragment : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit InsertFragment(QObject* parent_ = nullptr); ~InsertFragment() override; QString name() const override { return tr("InsertFragment"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); void performInsert(const QString& fileName, bool crystal); private: QList m_actions; QtGui::InsertFragmentDialog* m_moleculeDialog; QtGui::InsertFragmentDialog* m_crystalDialog; /// Maps identifier to extension: QMap m_formats; QtGui::Molecule* m_molecule; Io::FileFormat* m_reader; }; inline QString InsertFragment::description() const { return tr("Insert molecular fragments for building larger molecules."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_INSERTFRAGMENT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertpeptide/000077500000000000000000000000001516317240700262015ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertpeptide/CMakeLists.txt000066400000000000000000000015521516317240700307440ustar00rootroot00000000000000include(ExternalProject) avogadro_plugin(InsertPeptide "Insert oligopeptide chains" ExtensionPlugin insertpeptide.h InsertPeptide insertpeptide.cpp insertpeptidedialog.ui ) # Install the fragments (for the amino acids) set(_fragments "${AvogadroLibs_SOURCE_DIR}/../fragments") # Look in parallel directory for the molecule fragment repository if(NOT EXISTS "${_fragments}") # download molecules... ExternalProject_Add(fragments GIT_REPOSITORY https://github.com/openchemistry/fragments GIT_TAG main # or https://github.com/OpenChemistry/molecules/archive/refs/heads/master.zip SOURCE_DIR "${AvogadroLibs_SOURCE_DIR}/../fragments" CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) endif() install(DIRECTORY "${AvogadroLibs_SOURCE_DIR}/../fragments" DESTINATION "${INSTALL_DATA_DIR}/avogadro2" PATTERN ".git" EXCLUDE ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertpeptide/insertpeptide.cpp000066400000000000000000000371641516317240700315770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "insertpeptide.h" #include "ui_insertpeptidedialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::InternalCoordinate; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { const std::map threeLetterCodes = { // map single letter codes to three letter codes // e.g. https://en.wikipedia.org/wiki/Amino_acid { 'A', "ALA" }, { 'R', "ARG" }, { 'N', "ASN" }, { 'D', "ASP" }, { 'C', "CYS" }, { 'Q', "GLN" }, { 'E', "GLU" }, { 'G', "GLY" }, { 'H', "HIS" }, { 'I', "ILE" }, { 'L', "LEU" }, { 'K', "LYS" }, { 'M', "MET" }, { 'F', "PHE" }, { 'P', "PRO" }, { 'S', "SER" }, { 'T', "THR" }, { 'W', "TRP" }, { 'Y', "TYR" }, { 'V', "VAL" }, { 'O', "PYL" }, { 'U', "SEC" } }; class InsertPeptideDialog : public QDialog, public Ui::InsertPeptideDialog { public: InsertPeptideDialog(QWidget* parent = 0) : QDialog(parent) { setWindowFlags(Qt::Dialog | Qt::Tool); setupUi(this); } }; InsertPeptide::InsertPeptide(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_dialog(nullptr) { auto* action = new QAction(tr("Peptide…"), this); action->setProperty("menu priority", 880); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } InsertPeptide::~InsertPeptide() {} QList InsertPeptide::actions() const { return m_actions; } QStringList InsertPeptide::menuPath(QAction* action) const { return QStringList() << tr("&Build") << tr("&Insert"); } void InsertPeptide::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void InsertPeptide::showDialog() { if (m_molecule == nullptr) return; if (m_dialog == nullptr) { m_dialog = new InsertPeptideDialog(qobject_cast(parent())); } QSettings settings; m_dialog->phiSpin->setValue(settings.value("peptide/phi", 180.0).toDouble()); m_dialog->psiSpin->setValue(settings.value("peptide/psi", 180.0).toDouble()); m_dialog->structureCombo->setCurrentIndex( settings.value("peptide/structure", 0).toInt()); connect(m_dialog->insertButton, SIGNAL(clicked()), this, SLOT(performInsert())); // Set the amino buttons to update the sequence foreach (const QToolButton* child, m_dialog->findChildren()) { connect(child, SIGNAL(clicked()), this, SLOT(updateText())); } // connect the structure menu to set the phi / psi connect(m_dialog->structureCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setStructureType(int))); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); // deduce the directory for the fragments QString directory = "fragments/amino"; QStringList dirs; QStringList stdPaths = QStandardPaths::standardLocations(QStandardPaths::AppLocalDataLocation); foreach (const QString& dirStr, stdPaths) { QString path = dirStr + "/data"; dirs << path; // we'll check if these exist below } // add in paths relative to the binary (e.g. for development) dirs << QCoreApplication::applicationDirPath() + "/../" + QtGui::Utilities::dataDirectory() + "/avogadro2"; #ifdef Q_WS_X11 dirs << QString(INSTALL_PREFIX) + "/share/avogadro2/"; #else // Mac and Windows use relative path from application location dirs << QCoreApplication::applicationDirPath() + "/../share/avogadro2"; #endif QDir dir; foreach (const QString& dirStr, dirs) { qDebug() << "Checking for " << directory << " data in" << dirStr; QDir testdir(dirStr + '/' + directory); if (testdir.exists() && testdir.isReadable()) { m_directory = testdir.absolutePath(); break; } } } void InsertPeptide::setStructureType(int index) { if (m_dialog == nullptr) return; switch (index) { case 0: // straight chain m_dialog->phiSpin->setValue(180.0); m_dialog->psiSpin->setValue(180.0); break; case 1: // alpha helix m_dialog->phiSpin->setValue(-60.0); m_dialog->psiSpin->setValue(-40.0); break; case 2: // beta sheet m_dialog->phiSpin->setValue(-135.0); m_dialog->psiSpin->setValue(135.0); break; case 3: // 3-10 helix m_dialog->phiSpin->setValue(-74.0); m_dialog->psiSpin->setValue(-4.0); break; case 4: // pi helix m_dialog->phiSpin->setValue(-57.0); m_dialog->psiSpin->setValue(-70.0); break; case 5: // other default: break; } QSettings settings; settings.setValue("peptide/phi", m_dialog->phiSpin->value()); settings.setValue("peptide/psi", m_dialog->psiSpin->value()); settings.setValue("peptide/structure", index); } void InsertPeptide::updateText() { QToolButton* button = qobject_cast(sender()); if (button) { QString sequenceText = m_dialog->sequenceText->toPlainText(); sequenceText += '-' + button->text(); // remove any final or initial dash if (sequenceText.endsWith('-')) sequenceText.chop(1); if (sequenceText.startsWith('-')) sequenceText.remove(0, 1); m_dialog->sequenceText->setPlainText(sequenceText); } } AminoAcid InsertPeptide::readAminoAcid(const QString& threeLetterCode) { AminoAcid aa; // Construct the filename (e.g., "ALA.zmat") QString filename = QString(m_directory + "/%1.zmat").arg(threeLetterCode.toUpper()); // Try opening the file QFile file(filename); if (!file.open(QIODevice::ReadOnly | QIODevice::Text)) { qDebug() << "Failed to open amino acid file:" << filename; return aa; } QTextStream in(&file); while (!in.atEnd()) { QString line = in.readLine().trimmed(); // Skip empty lines if (line.isEmpty()) continue; // Parse the line QStringList parts = line.split(QRegularExpression("\\s+"), Qt::SkipEmptyParts); // Need at least: Element AtomName Distance Angle Dihedral RefAtom1 RefAtom2 // RefAtom3 if (parts.size() < 8) continue; QString element = parts[0]; QString atomName = parts[1]; double distance = parts[2].toDouble(); double angle = parts[3].toDouble(); double dihedral = parts[4].toDouble(); int refAtom1 = parts[5].toInt(); int refAtom2 = parts[6].toInt(); int refAtom3 = parts[7].toInt(); // Get atomic number from element symbol unsigned char atomicNum = Avogadro::Core::Elements::atomicNumberFromSymbol(element.toStdString()); aa.atomicNumbers.push_back(atomicNum); aa.atomNames.push_back(atomName.toStdString()); // Create internal coordinate Avogadro::Core::InternalCoordinate coord; // Convert 1-based indices to 0-based (but keep special cases) // 0 means no reference, keep as is coord.a = (refAtom1 > 0) ? refAtom1 - 1 : MaxIndex; coord.b = (refAtom2 > 0) ? refAtom2 - 1 : MaxIndex; coord.c = (refAtom3 > 0) ? refAtom3 - 1 : MaxIndex; coord.length = distance; // Keep in degrees as used in InternalCoordinate coord.angle = angle; coord.dihedral = dihedral; aa.internalCoords.push_back(coord); } file.close(); #ifndef NDEBUG qDebug() << "Read" << aa.atomicNumbers.size() << "atoms for" << threeLetterCode; #endif return aa; } void AddTerminus(unsigned char element, QString atomID, Index a, double distance, Index b, double angle, Index c, double dihedral, Molecule& molecule, Array& coords) { if (molecule.residueCount() == 0) return; // can't do anything -- we're in a weird state auto residue = molecule.residue(molecule.residueCount() - 1); auto atom = molecule.addAtom(element); residue.addResidueAtom(atomID.toStdString(), atom); InternalCoordinate coord; coord.a = a; coord.b = b; coord.c = c; coord.length = distance; coord.angle = angle; coord.dihedral = dihedral; coords.push_back(coord); // Add a bond between the recently created atom and our "a" molecule.addBond(molecule.atomCount() - 1, a, 1); } void InsertPeptide::performInsert() { if (m_molecule == nullptr || m_dialog == nullptr) return; // get the sequence QString sequenceText = m_dialog->sequenceText->toPlainText(); if (sequenceText.isEmpty()) return; // figure out if the sequence has three-letter codes // separated by dashes QStringList sequenceList; sequenceList = sequenceText.split('-'); // Check if we have single letter codes (no dashes, short strings) if (sequenceList.size() == 1 && sequenceList[0].length() > 3) { // Might be single letter codes like "ACDEFG" QString singleLetters = sequenceList[0]; sequenceList.clear(); for (int i = 0; i < singleLetters.length(); i++) { char letter = singleLetters[i].toUpper().toLatin1(); if (threeLetterCodes.find(letter) != threeLetterCodes.end()) { sequenceList.append( QString::fromStdString(threeLetterCodes.at(letter))); } } } QString chain = m_dialog->chainNumberCombo->currentText(); if (chain.isEmpty()) chain = 'A'; double phi = m_dialog->phiSpin->value(); double psi = m_dialog->psiSpin->value(); // get the N and C terminus auto nTerm = m_dialog->nGroupCombo->currentIndex(); auto cTerm = m_dialog->cGroupCombo->currentIndex(); char stereo = m_dialog->lStereoButton->isChecked() ? 'L' : 'D'; // read the file into the new fragment Avogadro::QtGui::Molecule newMol(m_molecule->parent()); // keep a map of the amino acids (i.e., only read once) std::map aaMap; // iterate through sequenceList to read the amino acids Index currentResidueNumber = 0; Array internalCoords; // Track atom indices across residues Index totalAtomCount = 0; Index previousN = MaxIndex; Index previousCA = MaxIndex; Index previousC = MaxIndex; Index previousO = MaxIndex; Index currentN = MaxIndex; Index currentCA = MaxIndex; Index currentC = MaxIndex; Index currentO = MaxIndex; for (int i = 0; i < sequenceList.size(); i++) { QString aaString = sequenceList[i]; std::string aaStdString = aaString.toUpper().toStdString(); // Read amino acid if not already cached if (aaMap.find(aaStdString) == aaMap.end()) { aaMap[aaStdString] = readAminoAcid(aaString); } AminoAcid amino = aaMap[aaStdString]; if (amino.atomicNumbers.empty()) { qDebug() << "Failed to read amino acid:" << aaString; continue; } // Create residue auto& residue = newMol.addResidue(aaStdString, ++currentResidueNumber, chain.toLatin1()[0]); // Add atoms from this amino acid for (size_t j = 0; j < amino.atomNames.size(); j++) { std::string atomName = amino.atomNames[j]; // Skip terminal atoms for middle residues bool isLastResidue = (i == sequenceList.size() - 1); bool isFirstResidue = (i == 0); // Skip OXT/HXT for non-terminal residues if (!isLastResidue && (atomName == "OXT" || atomName == "HXT")) continue; // if it's the last residue, check the terminus if (isLastResidue && atomName == "HXT" && cTerm == 1) { // CO2- termination continue; } // Add atom to molecule auto atom = newMol.addAtom(amino.atomicNumbers[j]); residue.addResidueAtom(atomName, atom); // formal charges if (isLastResidue && atomName == "OXT" && cTerm == 1) { atom.setFormalCharge(-1); } if (isFirstResidue && atomName == "N" && nTerm == 1) { atom.setFormalCharge(1); } // Handle internal coordinates Core::InternalCoordinate coord = amino.internalCoords[j]; // TODO : Handle stereochemistry for D- amino acids // For residues after the first, we need to adjust references if (i > 0) { // Atoms need to reference previous residue atoms for the peptide bond if (atomName == "N") { // N connects to previous C coord.a = previousC; coord.b = previousCA; coord.c = previousN; coord.length = 1.329; // typical peptide bond length coord.angle = 116.2; // typical C-N-CA angle coord.dihedral = psi; } else if (atomName == "CA") { // CA connects to N (just added) coord.a = currentN; // N we just added coord.b = previousC; coord.c = previousCA; coord.angle = 121.7; // typical N-CA-C angle coord.dihedral = 180.0; // omega } else if (atomName == "C") { coord.a = currentCA; // CA we just added coord.b = currentN; // N we just added coord.c = previousC; coord.dihedral = phi; } else { // Other atoms: adjust their reference indices // Add offset for all atoms from previous residues if (coord.a != MaxIndex) coord.a += totalAtomCount; if (coord.b != MaxIndex) coord.b += totalAtomCount; if (coord.c != MaxIndex) coord.c += totalAtomCount; } // adjust the N-H position if (atomName == "H") { coord.angle = 120.0; coord.dihedral = phi + 180.0 + 5.0 * sin(psi * DEG_TO_RAD); } } internalCoords.push_back(coord); #ifndef NDEBUG qDebug() << " added " << atomName << " " << atom.index() << " " << coord.a << " " << coord.b << " " << coord.c << " " << coord.length << " " << coord.angle << " " << coord.dihedral; #endif // Track key atoms for next residue if (atomName == "N") currentN = newMol.atomCount() - 1; else if (atomName == "CA") currentCA = newMol.atomCount() - 1; else if (atomName == "C") currentC = newMol.atomCount() - 1; else if (atomName == "O") currentO = newMol.atomCount() - 1; } if (i == 0) { // fix the N terminus (e.g., NH2 or NH3+) switch (nTerm) { case 0: // NH2 AddTerminus(1, "H2", 0, 1.009, 1, 120.0, 2, 175.0, newMol, internalCoords); break; case 1: // NH3+ AddTerminus(1, "H2", 0, 1.009, 1, 109.5, 2, 120.0, newMol, internalCoords); AddTerminus(1, "H3", 0, 1.009, 1, 109.5, 2, 60.0, newMol, internalCoords); break; default: break; } } totalAtomCount = newMol.atomCount(); residue.resolveResidueBonds(newMol); if (i > 0) { // Add peptide bond newMol.addBond(previousC, currentN); // adjust the dihedral of the previous oxygen internalCoords[previousO].dihedral = 180.0 + psi; } previousN = currentN; previousCA = currentCA; previousC = currentC; previousO = currentO; } // Convert internal coordinates to Cartesian Array positions = internalToCartesian(newMol, internalCoords); // Set atom positions for (size_t i = 0; i < positions.size(); i++) { newMol.setAtomPosition3d(i, positions[i]); } // okay, make sure we have secondary structure assigned Core::SecondaryStructureAssigner ssa; ssa.assign(&newMol); m_molecule->undoMolecule()->appendMolecule(newMol, tr("Insert Peptide")); emit requestActiveTool("Manipulator"); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertpeptide/insertpeptide.h000066400000000000000000000032711516317240700312340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_INSERTPEPTIDE_H #define AVOGADRO_QTPLUGINS_INSERTPEPTIDE_H #include #include namespace Avogadro { namespace QtPlugins { class InsertPeptideDialog; // Used to store the amino acids as they are built struct AminoAcid { std::vector atomicNumbers; std::vector atomNames; std::vector internalCoords; }; /** * @brief Insert oligopeptide sequences */ class InsertPeptide : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit InsertPeptide(QObject* parent_ = nullptr); ~InsertPeptide() override; QString name() const override { return tr("InsertPeptide"); } QString description() const override { return tr("Insert oligopeptide sequences."); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); void performInsert(); void updateText(); void setStructureType(int); private: AminoAcid readAminoAcid(const QString& threeLetterCode); QList m_actions; QtGui::Molecule* m_molecule; InsertPeptideDialog* m_dialog; QString m_directory; // directory to amino acid fragments }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_INSERTPEPTIDE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/insertpeptide/insertpeptidedialog.ui000066400000000000000000000410221516317240700325760ustar00rootroot00000000000000 InsertPeptideDialog 0 0 447 432 Insert Peptide Peptide Builder Qt::Orientation::Horizontal 40 20 QLayout::SizeConstraint::SetDefaultConstraint Alanine Ala Arginine Arg Asparagine Asn Aspartic acid Asp Cysteine Cys Glutamic acid Glu Glutamine Gln Glycine Gly Histidine His Isoleucine Ile Valine Val Tyrosine Tyr Tryptophan Trp Threonine Thr Serine Ser Proline Pro Phenylalanine Phe Methionine Met Lysine Lys Leucine Leu Qt::Orientation::Horizontal 40 20 Amino Acids: Sequence (N to C): false Stereochemistry: L true false D false N Terminus: C Terminus: 0 NH₂ NH₃⁺ 0 CO₂H CO₂⁻ Structure: Straight Chain α Helix β Sheet 3-10 Helix π Helix Other Phi: ° -180.000000000000000 180.000000000000000 180.000000000000000 ° -180.000000000000000 180.000000000000000 180.000000000000000 Psi: Chain Number: The chain number for the new peptide true A B C D E F G H I J Qt::Orientation::Horizontal 40 20 Insert Peptide true Qt::Orientation::Vertical 20 0 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/000077500000000000000000000000001516317240700244015ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/CMakeLists.txt000066400000000000000000000012321516317240700271370ustar00rootroot00000000000000avogadro_plugin(Label "Labels rendering scheme" ScenePlugin label.h Label label.cpp "") set(label_rcs label.qrc ) set(label_srcs labeleditor.cpp ) avogadro_plugin(LabelEditor "Labels rendering scheme" ToolPlugin labeleditor.h LabelEditor "${label_srcs}" "" "${label_rcs}" ) target_link_libraries(Label LINK_PRIVATE Avogadro::Rendering) target_link_libraries(Label PRIVATE Avogadro::Calc) target_link_libraries(LabelEditor LINK_PRIVATE Avogadro::Rendering Avogadro::QtOpenGL) target_include_directories(LabelEditor PRIVATE ${CMAKE_CURRENT_BINARY_DIR}/../../rendering ${CMAKE_CURRENT_BINARY_DIR}/../../qtopengl) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/label.cpp000066400000000000000000000445651516317240700262020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "label.h" #include #include #include // for partial charges #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::Rendering::TextLabel3D; using Core::Array; using Core::Atom; using Core::contrastColor; using Core::Elements; using Core::Molecule; using QtGui::PluginLayerManager; using Rendering::GeometryNode; using Rendering::GroupNode; using std::map; typedef Array NeighborListType; namespace { TextLabel3D* createLabel(const std::string& text, const Vector3f& pos, float radius, const Vector3ub& color, float scale = 1.0f) { Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(color.data()); // Apply label scale to the default pixel height (24) tprop.setPixelHeight(static_cast(24.0f * scale)); auto* label = new TextLabel3D; label->setText(text); label->setRenderPass(Rendering::TranslucentPass); label->setTextProperties(tprop); label->setRadius(radius); label->setAnchor(pos); return label; } } // namespace struct LayerLabel : Core::LayerData { enum LabelOptions { None = 0, Index = 1, Name = 2, Custom = 4, Ordinal = 8, UniqueID = 16, PartialCharge = 32, Length = 64 // for bonds obviously }; unsigned short atomOptions; unsigned short residueOptions; unsigned short bondOptions; QWidget* widget; float radiusScalar; float labelScale; Vector3ub color; LayerLabel() { widget = nullptr; QSettings settings; atomOptions = settings.value("label/atomoptions", LabelOptions::Name).toInt(); residueOptions = settings.value("label/residueoptions", LabelOptions::None).toInt(); bondOptions = settings.value("label/bondoptions", LabelOptions::None).toInt(); radiusScalar = settings.value("label/radiusscalar", 0.5).toDouble(); labelScale = settings.value("label/labelscale", 1.0).toDouble(); auto q_color = settings.value("label/color", QColor(Qt::white)).value(); color[0] = static_cast(q_color.red()); color[1] = static_cast(q_color.green()); color[2] = static_cast(q_color.blue()); } LayerLabel(std::string settings) { widget = nullptr; deserialize(settings); } LayerData* clone() final { return new LayerLabel(serialize()); } ~LayerLabel() override { if (widget) widget->deleteLater(); } std::string serialize() final { std::stringstream output; output << atomOptions << " " << residueOptions << " " << radiusScalar << " " << (int)color[0] << " " << (int)color[1] << " " << (int)color[2] << " " << bondOptions << " " << labelScale; return output.str(); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; atomOptions = std::stoi(aux); ss >> aux; residueOptions = std::stoi(aux); ss >> aux; radiusScalar = std::stof(aux); ss >> aux; color[0] = std::stoi(aux); ss >> aux; color[1] = std::stoi(aux); ss >> aux; color[2] = std::stoi(aux); ss >> aux; if (!aux.empty()) bondOptions = std::stoi(aux); // backwards compatibility ss >> aux; if (!aux.empty()) labelScale = std::stof(aux); // backwards compatibility } void setupWidget(Label* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; auto* form = new QFormLayout; // color button auto* colorButton = new QtGui::ColorButton; QObject::connect(colorButton, SIGNAL(colorChanged(const QColor&)), slot, SLOT(setColor(const QColor&))); form->addRow(QObject::tr("Color:"), colorButton); // radius scalar auto* spin = new QDoubleSpinBox; spin->setRange(0.0, 1.5); spin->setSingleStep(0.1); spin->setDecimals(1); spin->setValue(radiusScalar); QObject::connect(spin, SIGNAL(valueChanged(double)), slot, SLOT(setRadiusScalar(double))); form->addRow(QObject::tr("Distance from center:"), spin); // label scale auto* scaleSpin = new QDoubleSpinBox; scaleSpin->setRange(0.25, 3.0); scaleSpin->setSingleStep(0.1); scaleSpin->setDecimals(2); scaleSpin->setValue(labelScale); QObject::connect(scaleSpin, SIGNAL(valueChanged(double)), slot, SLOT(setLabelScale(double))); form->addRow(QObject::tr("Label scale:"), scaleSpin); auto* atom = new QComboBox; atom->setObjectName("atom"); // set up the various atom options [[maybe_unused]] char val = LabelOptions::None; QStringList text; // first add the individual options atom->addItem(QObject::tr("None"), int(LabelOptions::None)); atom->addItem(QObject::tr("Index"), int(LabelOptions::Index)); atom->addItem(QObject::tr("Unique ID"), int(LabelOptions::UniqueID)); atom->addItem(QObject::tr("Element"), int(LabelOptions::Name)); atom->addItem(QObject::tr("Element & Number"), int(LabelOptions::Ordinal)); atom->addItem(QObject::tr("Element & ID"), int(LabelOptions::Name | LabelOptions::UniqueID)); atom->addItem(QObject::tr("Partial Charge", "atomic partial charge"), int(LabelOptions::PartialCharge)); atom->addItem(QObject::tr("Custom"), int(LabelOptions::Custom)); // check for current option based on item data for (int i = 0; i < atom->count(); ++i) { if (atom->itemData(i).toInt() == atomOptions) { atom->setCurrentIndex(i); break; } } QObject::connect(atom, SIGNAL(currentIndexChanged(int)), slot, SLOT(atomLabelType(int))); form->addRow(QObject::tr("Atom Label:"), atom); // bond label auto* bond = new QComboBox; bond->setObjectName("bond"); // set up the various bond options bond->addItem(QObject::tr("None"), int(LabelOptions::None)); bond->addItem(QObject::tr("Length"), int(LabelOptions::Length)); bond->addItem(QObject::tr("Index"), int(LabelOptions::Index)); bond->addItem(QObject::tr("Custom"), int(LabelOptions::Custom)); QObject::connect(bond, SIGNAL(currentIndexChanged(int)), slot, SLOT(bondLabelType(int))); form->addRow(QObject::tr("Bond Label:"), bond); auto* residue = new QComboBox; residue->setObjectName("residue"); // set up the various residue options residue->addItem(QObject::tr("None"), int(LabelOptions::None)); residue->addItem(QObject::tr("ID"), int(LabelOptions::Index)); residue->addItem(QObject::tr("Name"), int(LabelOptions::Name)); residue->addItem(QObject::tr("Name & ID"), int(LabelOptions::Index + LabelOptions::Name)); residue->addItem(QObject::tr("Custom"), int(LabelOptions::Custom)); QObject::connect(residue, SIGNAL(currentIndexChanged(int)), slot, SLOT(residueLabelType(int))); // residue->model()->sort(0, Qt::AscendingOrder); form->addRow(QObject::tr("Residue Label:"), residue); v->addLayout(form); v->addStretch(1); widget->setLayout(v); } } }; Label::Label(QObject* parent_) : QtGui::ScenePlugin(parent_) { m_layerManager = PluginLayerManager(m_name); } Label::~Label() {} void Label::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); for (size_t layer = 0; layer < m_layerManager.layerCount(); ++layer) { auto* interface = m_layerManager.getSetting(layer); if (interface->residueOptions) { processResidue(molecule, node, layer); } if (interface->atomOptions) { processAtom(molecule, node, layer); } if (interface->bondOptions) { processBond(molecule, node, layer); } } } void Label::processResidue(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer) { auto* geometry = new GeometryNode; node.addChild(geometry); for (const auto& residue : molecule.residues()) { Atom caAtom = residue.atomByName("CA"); if (!caAtom.isValid() || !m_layerManager.atomEnabled(layer, caAtom.index())) { continue; } auto name = residue.residueName(); const auto atoms = residue.residueAtoms(); const std::string customLabel = molecule.residueLabel(residue.residueId()); Vector3f pos = Vector3f::Zero(); for (const auto& atom : atoms) { pos += atom.position3d().cast(); } pos /= static_cast(atoms.size()); float radius = 0.0f; for (const auto& atom : atoms) { unsigned char atomicNumber = atom.atomicNumber(); auto auxR = static_cast(Elements::radiusVDW(atomicNumber)); auxR += (atom.position3d().cast() - pos).norm(); if (auxR > radius) { auxR = radius; } } auto* interface = m_layerManager.getSetting(layer); Vector3ub color = interface->color; std::string text = ""; if (interface->residueOptions & LayerLabel::LabelOptions::Name) { text = (text == "" ? "" : " / ") + name; } if (interface->residueOptions & LayerLabel::LabelOptions::Index) { text += std::to_string(residue.residueId()); } if (interface->residueOptions & LayerLabel::LabelOptions::Custom) { text += (text == "" ? "" : " / ") + customLabel; } TextLabel3D* residueLabel = createLabel(text, pos, radius, color, interface->labelScale); geometry->addDrawable(residueLabel); } } QString partialCharge(Molecule* molecule, int atom) { // TODO: we need to track type and/or calling the charge calculator float charge = 0.0; std::set types = molecule->partialChargeTypes(); if (types.size() > 0) { auto first = types.cbegin(); MatrixX charges = molecule->partialCharges((*first)); charge = charges(atom, 0); } else { // find something const auto options = Calc::ChargeManager::instance().identifiersForMolecule(*molecule); if (options.size() > 0) { // look for GFN2 or AM1BCC, then MMFF94 then Gasteiger std::string type; if (options.find("GFN2") != options.end()) type = "GFN2"; else if (options.find("am1bcc") != options.end()) type = "am1bcc"; else if (options.find("mmff94") != options.end()) type = "mmff94"; else if (options.find("gasteiger") != options.end()) type = "gasteiger"; else type = *options.begin(); MatrixX charges = Calc::ChargeManager::instance().partialCharges(type, *molecule); charge = charges(atom, 0); } } // e.g. '-0.12' => 5 characters return QString("%L1").arg(charge, 5, 'f', 2); } void Label::processAtom(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer) { auto* geometry = new GeometryNode; node.addChild(geometry); std::map atomCount; for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); unsigned char atomicNumber = atom.atomicNumber(); if (atomCount.find(atomicNumber) == atomCount.end()) { atomCount[atomicNumber] = 1; } else { ++atomCount[atomicNumber]; } if (!m_layerManager.atomEnabled(layer, i)) { continue; } auto* interface = m_layerManager.getSetting(layer); std::string text = atom.label(); if (interface->atomOptions & LayerLabel::LabelOptions::PartialCharge) { QString charge = partialCharge(const_cast(&molecule), i); text += charge.toStdString(); } if (interface->atomOptions & LayerLabel::LabelOptions::Custom) { // already set } if (interface->atomOptions & LayerLabel::LabelOptions::Index) { text += (text == "" ? "" : " / ") + std::to_string(atom.index() + 1); } if (interface->atomOptions & LayerLabel::LabelOptions::Name) { std::string name = std::string(Elements::symbol(atomicNumber)); // D or T for hydrogen isotopes if (atomicNumber == 1) { if (atom.isotope() == 2) { name = "D"; } else if (atom.isotope() == 3) { name = "T"; } } text += (text == "" ? "" : " / ") + name; } if (interface->atomOptions & LayerLabel::LabelOptions::Ordinal) { text += (text == "" ? "" : " / ") + std::string(Elements::symbol(atomicNumber) + std::to_string(atomCount[atomicNumber])); } if (interface->atomOptions & LayerLabel::LabelOptions::UniqueID) { text += (text == "" ? "" : " / ") + std::to_string(atom.index()); } if (text != "") { const Vector3f pos(atom.position3d().cast()); Vector3ub color = atom.color(); float radius = static_cast(Elements::radiusVDW(atomicNumber)) * interface->radiusScalar; TextLabel3D* atomLabel = createLabel(text, pos, radius, contrastColor(color), interface->labelScale); geometry->addDrawable(atomLabel); } } } void Label::processBond(const Core::Molecule& molecule, Rendering::GroupNode& node, [[maybe_unused]] size_t layer) { auto* geometry = new GeometryNode; node.addChild(geometry); std::map bondCount; for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); // check if the bond is enabled in this layer if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } // get the options for this bond Core::Atom atom1 = bond.atom1(); Core::Atom atom2 = bond.atom2(); auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(atom1.index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(atom2.index())); // get the union of the options char options = interface1->bondOptions | interface2->bondOptions; Vector3ub color = interface1->color; unsigned char atomicNumber1 = atom1.atomicNumber(); unsigned char atomicNumber2 = atom2.atomicNumber(); float radiusVDW1 = static_cast(Elements::radiusVDW(atomicNumber1)); float radiusVDW2 = static_cast(Elements::radiusVDW(atomicNumber2)); float radius = (radiusVDW1 + radiusVDW2) * interface1->radiusScalar / 2.0f; std::stringstream text; // hopefully not all at once if (options & LayerLabel::LabelOptions::Index) { text << bond.index(); } if (options & LayerLabel::LabelOptions::Custom) { text << bond.label(); } if (options & LayerLabel::LabelOptions::Length) { text << std::fixed << std::setprecision(2) << bond.length(); } // position will be between the two atoms Vector3f pos = (atom1.position3d().cast() + atom2.position3d().cast()) / 2.0f; TextLabel3D* bondLabel = createLabel(text.str(), pos, radius, color, interface1->labelScale); geometry->addDrawable(bondLabel); } } void Label::setColor(const QColor& color) { auto* interface = m_layerManager.getSetting(); interface->color[0] = static_cast(color.red()); interface->color[1] = static_cast(color.green()); interface->color[2] = static_cast(color.blue()); emit drawablesChanged(); QSettings settings; settings.setValue("label/color", color); } void Label::atomLabelType(int index) { auto* interface = m_layerManager.getSetting(); interface->atomOptions = char(setupWidget() ->findChildren("atom")[0] ->itemData(index) .toInt()); emit drawablesChanged(); QSettings settings; settings.setValue("label/atomoptions", interface->atomOptions); } void Label::bondLabelType(int index) { auto* interface = m_layerManager.getSetting(); interface->bondOptions = char(setupWidget() ->findChildren("bond")[0] ->itemData(index) .toInt()); emit drawablesChanged(); QSettings settings; settings.setValue("label/bondoptions", interface->bondOptions); } void Label::residueLabelType(int index) { auto* interface = m_layerManager.getSetting(); interface->residueOptions = char(setupWidget() ->findChildren("residue")[0] ->itemData(index) .toInt()); emit drawablesChanged(); QSettings settings; settings.setValue("label/residueoptions", interface->residueOptions); } void Label::setRadiusScalar(double radius) { auto* interface = m_layerManager.getSetting(); interface->radiusScalar = float(radius); emit drawablesChanged(); QSettings settings; settings.setValue("label/radiusscalar", interface->radiusScalar); } void Label::setLabelScale(double scale) { auto* interface = m_layerManager.getSetting(); interface->labelScale = float(scale); emit drawablesChanged(); QSettings settings; settings.setValue("label/labelscale", interface->labelScale); } QWidget* Label::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/label.h000066400000000000000000000035301516317240700256320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LABEL_H #define AVOGADRO_QTPLUGINS_LABEL_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render labels to each atom. */ class Label : public QtGui::ScenePlugin { Q_OBJECT public: explicit Label(QObject* parent = nullptr); ~Label() override; QString name() const override { return tr("Labels"); } QString description() const override { return tr("Display labels on ball and stick style."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void atomLabelType(int index); void bondLabelType(int index); void residueLabelType(int index); void setRadiusScalar(double radius); void setLabelScale(double scale); void setColor(const QColor& color); private: void processAtom(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer); void processBond(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer); void processResidue(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer); Rendering::GroupNode* m_group; std::string m_name = "Labels"; Vector3ub m_color; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LABEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/label.qrc000066400000000000000000000002071516317240700261660ustar00rootroot00000000000000 label_light.svg label_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/label_dark.svg000066400000000000000000000017541516317240700272110ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/label_light.svg000066400000000000000000000017541516317240700273770ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/labeleditor.cpp000066400000000000000000000101451516317240700273740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "labeleditor.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Elements; using QtGui::RWAtom; using Rendering::GeometryNode; using Rendering::Identifier; using Rendering::TextLabel3D; LabelEditor::LabelEditor(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_glWidget(nullptr), m_renderer(nullptr), m_selected(false), m_text("") { m_activateAction->setText(tr("Edit Labels")); m_activateAction->setToolTip( tr("Atom Label Tool\n\n" "Left Mouse:\tClick on Atoms to add Custom Labels")); setIcon(); } LabelEditor::~LabelEditor() {} void LabelEditor::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/label_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/label_light.svg")); } QUndoCommand* LabelEditor::mouseReleaseEvent(QMouseEvent* e) { e->ignore(); return nullptr; } QUndoCommand* LabelEditor::mouseMoveEvent(QMouseEvent* e) { e->ignore(); return nullptr; } QUndoCommand* LabelEditor::keyPressEvent(QKeyEvent* e) { if (m_selected && !e->text().isEmpty()) { e->accept(); const QChar text = e->text()[0]; if (text.isPrint()) { m_text.append(text); } else if (e->key() == Qt::Key_Backspace) { m_text.chop(1); } else if (e->key() == Qt::Key_Enter || e->key() == Qt::Key_Return) { save(); } emit drawablesChanged(); } return nullptr; } void LabelEditor::save() { m_molecule->beginMergeMode(tr("Create Label")); m_selectedAtom.setLabel(m_text.toStdString()); m_molecule->endMergeMode(); m_text.clear(); m_selectedAtom = RWAtom(); // make sure the label display is made active emit requestActiveDisplayTypes(QStringList() << "Labels"); } QUndoCommand* LabelEditor::mousePressEvent(QMouseEvent* e) { if (!m_renderer || !m_molecule) return nullptr; if (e->buttons() & Qt::LeftButton) { if (m_selectedAtom.isValid()) { e->accept(); save(); emit drawablesChanged(); } Identifier clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); m_selected = (clickedObject.type == Rendering::AtomType); if (m_selected) { e->accept(); m_selectedAtom = m_molecule->atom(clickedObject.index); m_text = QString::fromStdString(m_selectedAtom.label()); emit drawablesChanged(); } else { // clicked on empty space e->ignore(); } } else { e->ignore(); } return nullptr; } namespace { TextLabel3D* createLabel(const std::string& text, const Vector3f& pos, float radius) { Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(255, 255, 255); auto* label = new TextLabel3D; label->setText(text); label->setRenderPass(Rendering::Overlay3DPass); label->setTextProperties(tprop); label->setRadius(radius); label->setAnchor(pos); return label; } } // namespace void LabelEditor::draw(Rendering::GroupNode& node) { if (m_renderer == nullptr || m_molecule == nullptr || !m_selected || !m_selectedAtom.isValid()) { return; } auto* geometry = new GeometryNode; node.addChild(geometry); unsigned char atomicNumber = m_selectedAtom.atomicNumber(); const Vector3f pos(m_selectedAtom.position3d().cast()); float radius = static_cast(Elements::radiusVDW(atomicNumber)) * 0.6f; TextLabel3D* atomLabel = createLabel(m_text.toStdString(), pos, radius); geometry->addDrawable(atomLabel); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/label/labeleditor.h000066400000000000000000000037241516317240700270460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LABELEDITOR_H #define AVOGADRO_QTPLUGINS_LABELEDITOR_H #include #include #include namespace Avogadro { namespace QtPlugins { class LabelEditor : public QtGui::ToolPlugin { Q_OBJECT public: explicit LabelEditor(QObject* parent_ = nullptr); ~LabelEditor() override; QString name() const override { return tr("Label editor tool"); } QString description() const override { return tr("Label editor tool"); } unsigned char priority() const override { return 95; } QAction* activateAction() const override { return m_activateAction; } void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QWidget* toolWidget() const override { return nullptr; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private: void save(); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; Rendering::GLRenderer* m_renderer; bool m_selected; QtGui::RWAtom m_selectedAtom; QString m_text; }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/000077500000000000000000000000001516317240700256735ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/CMakeLists.txt000066400000000000000000000004201516317240700304270ustar00rootroot00000000000000# Extension set(gamessinput_srcs lammpsinputdialog.cpp lammpsinput.cpp ) avogadro_plugin(LammpsInput "LAMMPS input file generation" ExtensionPlugin lammpsinput.h LammpsInput "${gamessinput_srcs}" lammpsinputdialog.ui ) target_link_libraries(LammpsInput) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/lammpsinput.cpp000066400000000000000000000042161516317240700307530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lammpsinput.h" #include "lammpsinputdialog.h" #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { LammpsInput::LammpsInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&LAMMPS…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } LammpsInput::~LammpsInput() {} QList LammpsInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList LammpsInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void LammpsInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } bool LammpsInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void LammpsInput::menuActivated() { if (!m_dialog) { m_dialog = new LammpsInputDialog(qobject_cast(parent())); } m_dialog->setMolecule(m_molecule); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/lammpsinput.h000066400000000000000000000027661516317240700304300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LAMMPSINPUT_H #define AVOGADRO_QTPLUGINS_LAMMPSINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class LammpsInputDialog; class LammpsInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit LammpsInput(QObject* parent = nullptr); ~LammpsInput() override; QString name() const override { return tr("LAMMPS input"); } QString description() const override { return tr("Generate input for LAMMPS."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ // void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; LammpsInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LAMMPSINPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/lammpsinputdialog.cpp000066400000000000000000000633431516317240700321410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lammpsinputdialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { LammpsInputDialog::LammpsInputDialog(QWidget* parent, Qt::WindowFlags flag) : QDialog(parent, flag), m_molecule(nullptr), m_unitType(real), m_title("Title"), m_savePath(""), m_dimensionType(d3), m_xBoundaryType(p), m_yBoundaryType(p), m_zBoundaryType(p), m_atomStyle(full), m_waterPotential(NONE), m_ensemble(NVT), m_temperature(298.15), m_nhChain(1), m_timeStep(2.0), m_runSteps(50), m_xReplicate(1), m_yReplicate(1), m_zReplicate(1), m_dumpStep(1), m_velocityDist(gaussian), m_velocityTemp(298.15), m_zeroMOM(true), m_zeroL(true), m_thermoStyle(one), m_thermoInterval(50), m_output(), m_dirty(false), m_warned(false), readData(false), m_jobEdit(nullptr), m_moleculeEdit(nullptr) { ui.setupUi(this); // Connect the GUI elements to the correct slots connect(ui.titleLine, SIGNAL(editingFinished()), this, SLOT(setTitle())); // now for something useful connect(ui.unitsCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setUnits(int))); connect(ui.atomStyleCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setAtomStyle(int))); connect(ui.dimensionCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setDimensionType(int))); connect(ui.xBoundaryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setXBoundaryType(int))); connect(ui.yBoundaryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setYBoundaryType(int))); connect(ui.zBoundaryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setZBoundaryType(int))); connect(ui.waterPotentialCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setWaterPotential(int))); connect(ui.readDataLine, SIGNAL(editingFinished()), this, SLOT(setReadData())); connect(ui.ensembleCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setEnsemble(int))); connect(ui.tempSpin, SIGNAL(valueChanged(double)), this, SLOT(setTemperature(double))); connect(ui.nhChainSpin, SIGNAL(valueChanged(int)), this, SLOT(setNHChain(int))); connect(ui.stepSpin, SIGNAL(valueChanged(double)), this, SLOT(setTimeStep(double))); connect(ui.runSpin, SIGNAL(valueChanged(int)), this, SLOT(setRunSteps(int))); connect(ui.xReplicateSpin, SIGNAL(valueChanged(int)), this, SLOT(setXReplicate(int))); connect(ui.yReplicateSpin, SIGNAL(valueChanged(int)), this, SLOT(setYReplicate(int))); connect(ui.zReplicateSpin, SIGNAL(valueChanged(int)), this, SLOT(setZReplicate(int))); connect(ui.dumpXYZEdit, SIGNAL(editingFinished()), this, SLOT(setDumpXYZ())); connect(ui.dumpStepSpin, SIGNAL(valueChanged(int)), this, SLOT(setDumpStep(int))); connect(ui.velocityDistCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setVelocityDist(int))); connect(ui.velocityTempSpin, SIGNAL(valueChanged(double)), this, SLOT(setVelocityTemp(double))); connect(ui.zeroMOMCheck, SIGNAL(toggled(bool)), this, SLOT(setZeroMOM(bool))); connect(ui.zeroLCheck, SIGNAL(toggled(bool)), this, SLOT(setZeroL(bool))); connect(ui.thermoStyleCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setThermoStyle(int))); connect(ui.thermoSpin, SIGNAL(valueChanged(int)), this, SLOT(setThermoInterval(int))); connect(ui.generateButton, SIGNAL(clicked()), this, SLOT(generateClicked())); connect(ui.resetButton, SIGNAL(clicked()), this, SLOT(resetClicked())); connect(ui.enableFormButton, SIGNAL(clicked()), this, SLOT(enableFormClicked())); QSettings settings; readSettings(settings); // Generate an initial preview of the input deck updatePreviewText(); addMoleculeDataTab(); } LammpsInputDialog::~LammpsInputDialog() { QSettings settings; writeSettings(settings); } void LammpsInputDialog::showEvent(QShowEvent*) { updatePreviewText(); addMoleculeDataTab(); } void LammpsInputDialog::updatePreviewText() { if (!isVisible()) return; int jobTabPosition = 0; // Store the currently displayed tab int currIndex = ui.tabWidget->currentIndex(); // Generate the input deck and display it if (m_dirty) { QString message = tr("Would you like to update the preview text, losing all " "changes made in the Lammps input deck preview pane?"); int response = QMessageBox::question( this, tr("Overwrite modified input files?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) == QMessageBox::No) { return; } } ui.tabWidget->removeTab(jobTabPosition); m_jobFileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + ".lmp"; m_jobEdit = new QTextEdit(this); m_jobEdit->setObjectName(m_jobFileName); m_jobEdit->setFontFamily("monospace"); connect(m_jobEdit, SIGNAL(textChanged()), this, SLOT(textEditModified())); m_jobEdit->setText(generateInputDeck()); ui.tabWidget->insertTab(jobTabPosition, m_jobEdit, m_jobFileName); deckDirty(false); // Restore current tab ui.tabWidget->setCurrentIndex(currIndex); } void LammpsInputDialog::addMoleculeDataTab() { int molTabPosition = 1; if (m_molecule) { ui.tabWidget->removeTab(molTabPosition); std::string molOutput, extension = "lmpdat"; m_moleculeFileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + "." + QString::fromStdString(extension); bool writeSDF = Io::FileFormatManager::instance().writeString( *m_molecule, molOutput, extension); if (writeSDF) { m_moleculeEdit = new QTextEdit(this); m_moleculeEdit->setObjectName(m_moleculeFileName); m_moleculeEdit->setFontFamily("monospace"); m_moleculeEdit->setText(QString::fromStdString(molOutput)); ui.tabWidget->insertTab(molTabPosition, m_moleculeEdit, m_moleculeFileName); } } } void LammpsInputDialog::textEditModified() { if (auto* edit = qobject_cast(sender())) { if (edit->document()->isModified()) { deckDirty(true); } else { deckDirty(false); } } } void LammpsInputDialog::resetClicked() { // Reset the form to defaults deckDirty(false); ui.unitsCombo->setCurrentIndex(1); ui.atomStyleCombo->setCurrentIndex(7); ui.dimensionCombo->setCurrentIndex(1); ui.xBoundaryCombo->setCurrentIndex(0); ui.yBoundaryCombo->setCurrentIndex(0); ui.zBoundaryCombo->setCurrentIndex(0); ui.waterPotentialCombo->setCurrentIndex(0); ui.ensembleCombo->setCurrentIndex(0); ui.tempSpin->setValue(298.15); ui.nhChainSpin->setValue(1); ui.stepSpin->setValue(2.0); ui.runSpin->setValue(50); ui.xReplicateSpin->setValue(1); ui.yReplicateSpin->setValue(1); ui.zReplicateSpin->setValue(1); ui.dumpStepSpin->setValue(1); ui.thermoStyleCombo->setCurrentIndex(0); ui.thermoSpin->setValue(50); updatePreviewText(); addMoleculeDataTab(); } void LammpsInputDialog::generateClicked() { QSettings settings; QString directory = settings.value("lammpsInput/outputDirectory", QDir::homePath()).toString(); if (directory.isEmpty()) directory = QDir::homePath(); directory = QFileDialog::getExistingDirectory( this, tr("Select output directory"), directory); // User cancel: if (directory.isNull()) return; settings.setValue("lammpsInput/outputDirectory", directory); QDir dir(directory); // Check for problems: QStringList errors; bool fatalError = false; do { // Do/while to break on fatal errors if (!dir.exists()) { errors << tr("%1: Directory does not exist!").arg(dir.absolutePath()); fatalError = true; break; } if (!dir.isReadable()) { errors << tr("%1: Directory cannot be read!").arg(dir.absolutePath()); fatalError = true; break; } QFileInfo jobFileInfo(dir.absoluteFilePath(m_jobFileName)); if (jobFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(jobFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(jobFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(jobFileInfo.absoluteFilePath()); fatalError = true; break; } QFileInfo molFileInfo(dir.absoluteFilePath(m_moleculeFileName)); if (molFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(molFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(molFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(molFileInfo.absoluteFilePath()); fatalError = true; break; } } while (false); // only run once // Handle fatal errors: if (fatalError) { QString formattedError; switch (errors.size()) { case 0: formattedError = tr("The input files cannot be written due to an unknown error."); break; case 1: formattedError = tr("The input files cannot be written:\n\n%1").arg(errors.first()); break; default: { // If a fatal error occurred, it will be last one in the list. Pop it // off and tell the user that it was the reason we had to stop. QString fatal = errors.last(); QStringList tmp(errors); tmp.pop_back(); formattedError = tr("The input files cannot be written:\n\n%1\n\nWarnings:\n\n%2") .arg(fatal, tmp.join("\n")); break; } } QMessageBox::critical(this, tr("Output Error"), formattedError); return; } // Non-fatal errors: if (!errors.isEmpty()) { QString formattedError = tr("Warning:\n\n%1\n\nWould you like to continue?") .arg(errors.join("\n")); QMessageBox::StandardButton reply = QMessageBox::warning(this, tr("Write input files"), formattedError, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } bool success = false; if (m_jobEdit && m_moleculeEdit) { QFile jobFile(dir.absoluteFilePath(m_jobFileName)); if (jobFile.open(QFile::WriteOnly | QFile::Text)) { if (jobFile.write(m_jobEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } jobFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(jobFile.fileName())); } QFile molFile(dir.absoluteFilePath(m_moleculeFileName)); if (molFile.open(QFile::WriteOnly | QFile::Text)) { if (molFile.write(m_moleculeEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } molFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(molFile.fileName())); } } } void LammpsInputDialog::enableFormClicked() { updatePreviewText(); } void LammpsInputDialog::setTitle() { m_title = ui.titleLine->text(); updatePreviewText(); } void LammpsInputDialog::setUnits(int n) { m_unitType = (LammpsInputDialog::unitType)n; ui.unitsCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setAtomStyle(int n) { m_atomStyle = (LammpsInputDialog::atomStyle)n; ui.atomStyleCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setDimensionType(int n) { m_dimensionType = static_cast(n); ui.dimensionCombo->setEnabled(true); if (n == 0) { setZBoundaryType(0); ui.zBoundaryCombo->setCurrentIndex(0); ui.zBoundaryCombo->setEnabled(false); ui.zReplicateSpin->setValue(1); ui.zReplicateSpin->setEnabled(false); } if (n == 1) { ui.zBoundaryCombo->setEnabled(true); ui.zReplicateSpin->setEnabled(true); } updatePreviewText(); } void LammpsInputDialog::setXBoundaryType(int n) { m_xBoundaryType = static_cast(n); ui.xBoundaryCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setYBoundaryType(int n) { m_yBoundaryType = static_cast(n); ui.yBoundaryCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZBoundaryType(int n) { m_zBoundaryType = static_cast(n); // should be careful here // z boundary must be p for 2d!!! ui.zBoundaryCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setWaterPotential(int n) { m_waterPotential = static_cast(n); ui.waterPotentialCombo->setEnabled(true); if (n == 1) { setAtomStyle(7); ui.atomStyleCombo->setCurrentIndex(7); ui.atomStyleCombo->setEnabled(false); } if (n == 0) { ui.atomStyleCombo->setEnabled(true); } updatePreviewText(); } void LammpsInputDialog::setReadData() { m_readData = ui.readDataLine->text(); if (m_readData != "") readData = true; else readData = false; updatePreviewText(); } void LammpsInputDialog::setMolecule(QtGui::Molecule* molecule) { // Disconnect the old molecule first... if (molecule == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; // Update the preview text whenever primitives are changed connect(molecule, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); updatePreviewText(); } void LammpsInputDialog::setEnsemble(int n) { m_ensemble = static_cast(n); ui.ensembleCombo->setEnabled(true); if (n == 1) { ui.tempSpin->setValue(0.0); ui.tempSpin->setEnabled(false); ui.nhChainSpin->setValue(0); ui.nhChainSpin->setEnabled(false); } else if (n == 0) { ui.tempSpin->setEnabled(true); ui.nhChainSpin->setEnabled(true); ui.nhChainSpin->setValue(1); } updatePreviewText(); } void LammpsInputDialog::setTemperature(double n) { m_temperature = n; ui.tempSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setNHChain(int n) { m_nhChain = n; ui.nhChainSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setTimeStep(double n) { m_timeStep = n; ui.stepSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setRunSteps(int n) { m_runSteps = n; ui.runSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setXReplicate(int n) { m_xReplicate = n; ui.xReplicateSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setYReplicate(int n) { m_yReplicate = n; ui.yReplicateSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZReplicate(int n) { m_zReplicate = n; ui.zReplicateSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setDumpStep(int n) { m_dumpStep = n; ui.dumpStepSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setDumpXYZ() { m_dumpXYZ = ui.dumpXYZEdit->text(); updatePreviewText(); } void LammpsInputDialog::setVelocityDist(int n) { m_velocityDist = static_cast(n); ui.velocityDistCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setVelocityTemp(double n) { m_velocityTemp = n; ui.velocityTempSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZeroMOM(bool state) { m_zeroMOM = state; ui.zeroMOMCheck->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZeroL(bool state) { m_zeroL = state; ui.zeroLCheck->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setThermoStyle(int n) { m_thermoStyle = static_cast(n); ui.thermoStyleCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setThermoInterval(int n) { m_thermoInterval = n; ui.thermoSpin->setEnabled(true); updatePreviewText(); } QString LammpsInputDialog::generateInputDeck() { // Generate an input deck based on the settings of the dialog QString buffer; QTextStream mol(&buffer); mol << "# LAMMPS Input file generated by Avogadro\n"; mol << "# " << m_title << "\n\n"; mol << "# Initialization\n"; mol << "units " << getUnitType(m_unitType) << "\n"; mol << "dimension " << getDimensionType(m_dimensionType) << "\n"; mol << "boundary " << getXBoundaryType(m_xBoundaryType) << " " << getYBoundaryType(m_yBoundaryType) << " " << getZBoundaryType(m_zBoundaryType) << "\n"; mol << "atom_style " << getAtomStyle(m_atomStyle) << "\n"; mol << "\n"; mol << "# Atom Definition\n"; if (readData) mol << "read_data " << m_readData << "\n"; mol << "replicate " << m_xReplicate << " " << m_yReplicate << " " << m_zReplicate << "\n"; mol << "\n" << getWaterPotential(m_waterPotential) << "\n"; mol << "# Settings\n"; mol << "velocity all create " << Qt::fixed << qSetRealNumberPrecision(2) << m_velocityTemp << " " << "4928459 " << "rot " << getZeroL() << " " << "mom " << getZeroMOM() << " " << "dist " << getVelocityDist(m_velocityDist) << "\n"; mol << getEnsemble(m_ensemble) << "\n"; mol << "timestep " << Qt::fixed << qSetRealNumberPrecision(1) << m_timeStep << "\n"; mol << "\n"; mol << "# Output\n"; if (m_dumpXYZ != "") { mol << "dump dumpXYZ all xyz " << m_dumpStep << " " << m_dumpXYZ << "\n"; } mol << "thermo_style " << getThermoStyle(m_thermoStyle) << "\n"; mol << "thermo " << m_thermoInterval << "\n"; mol << "\n"; mol << "# Run the simulation\n"; mol << "run " << m_runSteps << "\n"; mol << "\n"; return buffer; } QString LammpsInputDialog::getUnitType(unitType t) { // Translate the enum to text for the output generation switch (t) { case lj: return "lj"; case real: return "real"; case metal: return "metal"; case si: return "si"; case cgs: return "cgs"; case u_electron: return "electron"; default: return "lj"; } } QString LammpsInputDialog::getAtomStyle(atomStyle t) { switch (t) { case angle: return "angle"; case atomic: return "atomic"; case bond: return "bond"; case charge: return "charge"; case dipole: return "dipole"; case a_electron: return "electron"; case ellipsoid: return "ellipsoid"; case full: return "full"; case line: return "line"; case meso: return "meso"; case molecular: return "molecular"; case peri: return "peri"; case sphere: return "sphere"; case tri: return "tri"; case wavepacket: return "wavepacket"; default: return "full"; } } QString LammpsInputDialog::getDimensionType(dimensionType t) { switch (t) { case d2: return "2d"; case d3: return "3d"; default: return "3d"; } } QString LammpsInputDialog::getXBoundaryType(boundaryType t) { switch (t) { case p: return "p"; case f: return "f"; case s: return "s"; case m: return "m"; case fs: return "fs"; case fm: return "fm"; default: return "p"; } } QString LammpsInputDialog::getYBoundaryType(boundaryType t) { switch (t) { case p: return "p"; case f: return "f"; case s: return "s"; case m: return "m"; case fs: return "fs"; case fm: return "fm"; default: return "p"; } } QString LammpsInputDialog::getZBoundaryType(boundaryType t) { switch (t) { case p: return "p"; case f: return "f"; case s: return "s"; case m: return "m"; case fs: return "fs"; case fm: return "fm"; default: return "p"; } } QString LammpsInputDialog::getWaterPotential(waterPotential t) { switch (t) { case NONE: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); water << ""; return waterPotentialInput; } case SPC: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); int Hydrogen; int Oxygen; determineAtomTypesSPC(Hydrogen, Oxygen); water << "# The SPC water potential\n" << "pair_style lj/cut/coul/cut 9.8 9.8\n" << "pair_coeff " << Oxygen << " " << Oxygen << " 0.15535 3.5533\n" << "pair_coeff " << "* " << Hydrogen << " 0.00000 0.0000\n" << "bond_style harmonic\n" << "angle_style harmonic\n" << "dihedral_style none\n" << "improper_style none\n" << "bond_coeff 1 100.00 1.000\n" << "angle_coeff 1 100.00 109.47\n" << "special_bonds lj/coul 0.0 0.0 0.5\n" << "fix RigidOHBonds all shake 0.0001 20 0 b 1 a 1\n"; return waterPotentialInput; } case SPCE: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); int Hydrogen; int Oxygen; determineAtomTypesSPC(Hydrogen, Oxygen); water << "# The SPC/E water potential\n" << "pair_style lj/cut/coul/long 9.8 9.8\n" << "kspace_style pppm 1.0e-4\n" << "pair_coeff " << Oxygen << " " << Oxygen << " 0.15535 3.5533\n" << "pair_coeff " << "* " << Hydrogen << " 0.00000 0.0000\n" << "bond_style harmonic\n" << "angle_style harmonic\n" << "dihedral_style none\n" << "improper_style none\n" << "bond_coeff 1 100.00 1.000\n" << "angle_coeff 1 100.00 109.47\n" << "special_bonds lj/coul 0.0 0.0 0.5\n" << "fix RigidOHBonds all shake 0.0001 20 0 b 1 a 1\n"; return waterPotentialInput; } default: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); water << "\n"; return waterPotentialInput; } } } QString LammpsInputDialog::getEnsemble(ensemble t) { switch (t) { case NVT: { QString ensembleInput; QTextStream fix(&ensembleInput); fix << "fix ensemble all nvt" << " temp " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " 100 " << "tchain " << m_nhChain << "\n"; return ensembleInput; } case NVE: { QString ensembleInput; QTextStream fix(&ensembleInput); fix << "fix ensemble all nve\n"; return ensembleInput; } default: { QString ensembleInput; QTextStream fix(&ensembleInput); fix << "fix ensemble all nvt" << " temp " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " 100 " << "tchain " << m_nhChain << "\n"; return ensembleInput; } } } QString LammpsInputDialog::getVelocityDist(velocityDist t) { switch (t) { case gaussian: return "gaussian"; case uniform: return "uniform"; default: return "gaussian"; } } QString LammpsInputDialog::getZeroMOM() { if (m_zeroMOM) return "yes"; else return "no"; } QString LammpsInputDialog::getZeroL() { if (m_zeroL) return "yes"; else return "no"; } QString LammpsInputDialog::getThermoStyle(thermoStyle t) { switch (t) { case one: return "one"; case multi: return "multi"; default: return "one"; } } void LammpsInputDialog::deckDirty(bool dirty) { m_dirty = dirty; ui.titleLine->setEnabled(!dirty); // ui.calculationCombo->setEnabled(!dirty); // ui.theoryCombo->setEnabled(!dirty); // ui.basisCombo->setEnabled(!dirty); // ui.multiplicitySpin->setEnabled(!dirty); // ui.chargeSpin->setEnabled(!dirty); ui.enableFormButton->setEnabled(dirty); } void LammpsInputDialog::readSettings(QSettings& settings) { m_savePath = settings.value("lammps/savepath").toString(); } void LammpsInputDialog::writeSettings(QSettings& settings) const { settings.setValue("lammps/savepath", m_savePath); } void LammpsInputDialog::determineAtomTypesSPC(int& hyd, int& oxy) { double ThisMass; QString ThisAtom; // QList atoms = m_molecule->atoms(); for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); ThisMass = Core::Elements::mass(atom.atomicNumber()); ThisAtom = Core::Elements::symbol(atom.atomicNumber()); AtomMass[ThisAtom] = ThisMass; } int AtomIndex = 0; // Set AtomType integer for (itr = AtomMass.begin(); itr != AtomMass.end(); ++itr) { AtomIndex++; AtomType[itr.key()] = AtomIndex; } // this is on purpose due to the use of // unordered_map in OpenBabel, which // returns a different order for O and H. hyd = AtomType.value("O"); oxy = AtomType.value("H"); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/lammpsinputdialog.h000066400000000000000000000105711516317240700316010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef LAMMPSINPUTDIALOG_H #define LAMMPSINPUTDIALOG_H #include "ui_lammpsinputdialog.h" #include #include class QJsonObject; class QTextEdit; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class LammpsInputDialog : public QDialog { Q_OBJECT public: explicit LammpsInputDialog(QWidget* parent = nullptr, Qt::WindowFlags flag = Qt::WindowFlags()); ~LammpsInputDialog() override; void readSettings(QSettings&); void writeSettings(QSettings&) const; enum unitType { lj, real, metal, si, cgs, u_electron }; enum dimensionType { d2, d3 }; enum boundaryType { p, s, f, m, fs, fm }; enum atomStyle { angle, atomic, bond, charge, dipole, a_electron, ellipsoid, full, line, meso, molecular, peri, sphere, tri, wavepacket }; enum waterPotential { NONE, SPC, SPCE }; void setMolecule(QtGui::Molecule* molecule); enum ensemble { NVT, NVE }; enum velocityDist { gaussian, uniform }; enum thermoStyle { one, multi }; protected: /** * Reimplemented to update the dialog when it is shown */ void showEvent(QShowEvent* event) override; private: Ui::LammpsInputDialog ui; QtGui::Molecule* m_molecule; // QString m_title; QString m_readData; unitType m_unitType; QString m_title; QString m_savePath; dimensionType m_dimensionType; boundaryType m_xBoundaryType; boundaryType m_yBoundaryType; boundaryType m_zBoundaryType; atomStyle m_atomStyle; waterPotential m_waterPotential; // coordType m_coordType; ensemble m_ensemble; double m_temperature; int m_nhChain; double m_timeStep; int m_runSteps; int m_xReplicate; int m_yReplicate; int m_zReplicate; QString m_dumpXYZ; int m_dumpStep; velocityDist m_velocityDist; double m_velocityTemp; bool m_zeroMOM; bool m_zeroL; thermoStyle m_thermoStyle; int m_thermoInterval; QString m_output; bool m_dirty; bool m_warned; bool readData; QTextEdit* m_jobEdit; QTextEdit* m_moleculeEdit; QString m_moleculeFileName; QString m_jobFileName; // Generate an input deck as a string QString generateInputDeck(); QString getUnitType(unitType t); QString getAtomStyle(atomStyle t); QString getDimensionType(dimensionType t); QString getXBoundaryType(boundaryType t); QString getYBoundaryType(boundaryType t); QString getZBoundaryType(boundaryType t); QString getWaterPotential(waterPotential t); QString getEnsemble(ensemble t); QString getVelocityDist(velocityDist t); QString getZeroMOM(); QString getZeroL(); QString getThermoStyle(thermoStyle t); // Translate enums to strings // QString getCalculationType(calculationType t); // QString getWavefunction(void); // QString getTheoryType(theoryType t); // QString getBasisType(basisType t); // Enable/disable form elements void deckDirty(bool); void determineAtomTypesSPC(int& hyd, int& oxy); void addMoleculeDataTab(); // system typing QHash AtomType; QHash AtomMass; QHash::iterator itr; public Q_SLOTS: void updatePreviewText(); private Q_SLOTS: //! Button Slots void textEditModified(); void resetClicked(); void generateClicked(); void enableFormClicked(); void setTitle(); void setReadData(); void setUnits(int); void setAtomStyle(int); void setDimensionType(int); void setXBoundaryType(int); void setYBoundaryType(int); void setZBoundaryType(int); void setWaterPotential(int); void setEnsemble(int); void setTemperature(double); void setNHChain(int); void setTimeStep(double); void setRunSteps(int); void setXReplicate(int); void setYReplicate(int); void setZReplicate(int); void setDumpXYZ(); void setDumpStep(int); void setVelocityDist(int); void setVelocityTemp(double); void setZeroMOM(bool); void setZeroL(bool); void setThermoStyle(int); void setThermoInterval(int); }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui000066400000000000000000000736251516317240700320000ustar00rootroot00000000000000 LammpsInputDialog 0 0 804 697 0 0 LAMMPS Input true QLayout::SizeConstraint::SetNoConstraint QLayout::SizeConstraint::SetDefaultConstraint Input file comments Title: titleLine Input file comments Title Filename Base: job Select the unit style to be used during the simulation. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/units.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/units.html</span></a></p></body></html> Units unitsCombo Select the unit style to be used during the simulation. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/units.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/units.html</span></a></p></body></html> 1 lj real metal si cgs electron Water Potential NONE SPC SPC/E Qt::Orientation::Horizontal Select atom_style used by the data file. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/atom_style.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/atom_style.html</span></a></p></body></html> Atom Style atomStyleCombo Select atom_style used by the data file. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/atom_style.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/atom_style.html</span></a></p></body></html> 7 angle atomic bond charge dipole electron ellipsoid full line meso molecular peri sphere tri wavepacket Specify the name to be used for the coordinate file. Coordinate Data File Specify the name to be used for the coordinate file. Ensemble NVT NVE Temperature K 2 20000.000000000000000 298.149999999999977 Select the number of Nosé-Hoover chains in the NVT ensemble. NH Chains Select the number of Nosé-Hoover chains in the NVT ensemble. 0 1 Qt::Orientation::Horizontal 40 20 1 Qt::Orientation::Horizontal Time step for the simulation in units according to "Units" specification. Time Step Time step for the simulation in units according to "Units" specification. 0.500000000000000 2.000000000000000 Filename of the XYZ file to write during the simulation. Dump XYZ Qt::Orientation::Horizontal Number of dimensions in the system. Dimensions dimensionCombo Change Z boundary style. 0 p s f m fs fm Change Y boundary style. 0 p s f m fs fm Change X boundary style. 0 p s f m fs fm Select boundary Styles in X, Y and Z directions. Boundary Qt::Orientation::Horizontal 40 20 Number of replicants in X, Y and Z directions. Replicate Qt::Orientation::Horizontal 40 20 Replicate the X direction. 1 Replicate the Y direction. 1 Replicate the Z direction. 1 Filename of the XYZ file to write during the simulation. Total number of timesteps to run the simulation. Total Steps Total number of timesteps to run the simulation. 1000000000 50 Qt::Orientation::Horizontal 40 20 Dump Interval 10000 1 Qt::Orientation::Horizontal 40 20 Set the initial atom velocities for the simulation. Initial Velocities Select the distribution of initial atom velocities. gaussian uniform Set the initial atom velocities to match this temperature. Temperature Set the initial atom velocities to match this temperature. K 20000.000000000000000 0.500000000000000 298.149999999999977 Remove system linear momentum from initial velocities. Zero Linear Momentum true Remove system angular momentum from initial velocities. Zero Angular Momentum true Qt::Orientation::Horizontal 40 20 Control the thermodynamic output during the simulation. Output Output Interval 10000 50 Qt::Orientation::Horizontal 40 20 Number of dimensions in the system. 1 2d 3d Thermodynamic output style. One Line Multi Line Qt::Orientation::Horizontal 40 20 0 0 QLayout::SizeConstraint::SetFixedSize Reset false Use Form Qt::Orientation::Horizontal 48 26 Generate… Close titleLine generateButton closeButton resetButton enableFormButton closeButton clicked() LammpsInputDialog close() 451 411 258 243 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/licorice/000077500000000000000000000000001516317240700251135ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/licorice/CMakeLists.txt000066400000000000000000000002571516317240700276570ustar00rootroot00000000000000avogadro_plugin(Licorice "Licorice rendering scheme" ScenePlugin licorice.h Licorice licorice.cpp "") target_link_libraries(Licorice PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/licorice/licorice.cpp000066400000000000000000000141471516317240700274170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "licorice.h" #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::SphereGeometry; struct LayerLicorice : Core::LayerData { QWidget* widget; float opacity; LayerLicorice() { widget = nullptr; QSettings settings; opacity = settings.value("licorice/opacity", 1.0).toFloat(); } LayerLicorice(std::string settings) { widget = nullptr; deserialize(settings); } LayerData* clone() final { return new LayerLicorice(*this); } ~LayerLicorice() override { if (widget) widget->deleteLater(); } std::string serialize() final { return std::to_string(opacity); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; opacity = std::stof(aux); } void setupWidget(Licorice* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* form = new QFormLayout; // Opacity auto* slider = new QSlider(Qt::Horizontal); slider->setRange(0, 100); slider->setTickInterval(1); slider->setValue(round(opacity * 100)); QObject::connect(slider, &QSlider::valueChanged, slot, &Licorice::setOpacity); form->addRow(QObject::tr("Opacity:"), slider); widget->setLayout(form); } } }; Licorice::Licorice(QObject* p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); } Licorice::~Licorice() {} void Licorice::process(const Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); // Use a common radius for all spheres and cylinders. float radius(0.2f); float selectedRadius(radius * 2.0f); // Add a sphere node to contain all of the spheres. auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = &molecule; spheres->identifier().type = Rendering::AtomType; auto selectedSpheres = new SphereGeometry; selectedSpheres->setOpacity(0.42); auto translucentSpheres = new SphereGeometry; translucentSpheres->setRenderPass(Rendering::TranslucentPass); translucentSpheres->identifier().molecule = &molecule; translucentSpheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); geometry->addDrawable(selectedSpheres); geometry->addDrawable(translucentSpheres); float opacity = 1.0; for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); if (!m_layerManager.atomEnabled(i)) { continue; } Vector3ub color = atom.color(); auto* interface = m_layerManager.getSetting(m_layerManager.getLayerID(i)); opacity = interface->opacity; if (opacity < 1.0f) { translucentSpheres->addSphere(atom.position3d().cast(), color, radius, i); translucentSpheres->setOpacity(opacity); } else spheres->addSphere(atom.position3d().cast(), color, radius, i); if (atom.selected()) { color = Vector3ub(0, 0, 255); selectedSpheres->addSphere(atom.position3d().cast(), color, selectedRadius, i); } } auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::BondType; auto* translucentCylinders = new CylinderGeometry; translucentCylinders->setRenderPass(Rendering::TranslucentPass); translucentCylinders->identifier().molecule = &molecule; translucentCylinders->identifier().type = Rendering::BondType; geometry->addDrawable(cylinders); geometry->addDrawable(translucentCylinders); for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom1().index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom2().index())); bool doOpaque = true; if (interface1->opacity < 1.0f || interface2->opacity < 1.0f) { opacity = std::min(interface1->opacity, interface2->opacity); translucentCylinders->setOpacity(opacity); doOpaque = false; } Vector3f pos1 = bond.atom1().position3d().cast(); Vector3f pos2 = bond.atom2().position3d().cast(); Vector3ub color1 = bond.atom1().color(); Vector3ub color2 = bond.atom2().color(); Vector3f bondVector = pos2 - pos1; float bondLength = bondVector.norm(); bondVector /= bondLength; if (doOpaque) cylinders->addCylinder(pos1, pos2, radius, color1, color2, i); else translucentCylinders->addCylinder(pos1, pos2, radius, color1, color2, i); } } void Licorice::setOpacity(int opacity) { m_opacity = static_cast(opacity) / 100.0f; auto* interface = m_layerManager.getSetting(); if (m_opacity != interface->opacity) { interface->opacity = m_opacity; emit drawablesChanged(); } QSettings settings; settings.setValue("licorice/opacity", m_opacity); } QWidget* Licorice::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/licorice/licorice.h000066400000000000000000000026171516317240700270630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LICORICE_H #define AVOGADRO_QTPLUGINS_LICORICE_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule in the licorice style. * @author Marcus D. Hanwell */ class Licorice : public QtGui::ScenePlugin { Q_OBJECT public: explicit Licorice(QObject* parent = nullptr); ~Licorice() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Licorice", "stick / licorice rendering"); } QString description() const override { return tr("Render atoms as licorice / sticks."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } public slots: void setOpacity(int opacity); private: std::string m_name = "Licorice"; QWidget* m_setupWidget = nullptr; float m_opacity = 1.0; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LICORICE_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/000077500000000000000000000000001516317240700265425ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/CMakeLists.txt000066400000000000000000000003241516317240700313010ustar00rootroot00000000000000avogadro_plugin(LineFormatInput "Enter line formats in a dialog window." ExtensionPlugin lineformatinput.h LineFormatInput "lineformatinput.cpp;lineformatinputdialog.cpp" "lineformatinputdialog.ui" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/lineformatinput.cpp000066400000000000000000000112301516317240700324630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lineformatinput.h" #include "lineformatinputdialog.h" #include #include #include #include #include #include #include #include using Avogadro::Io::FileFormat; using Avogadro::Io::FileFormatManager; using Avogadro::QtGui::FileFormatDialog; using namespace std::string_literals; namespace Avogadro::QtPlugins { LineFormatInput::LineFormatInput(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_reader(nullptr) { auto* action = new QAction(tr("SMILES…"), this); action->setProperty("menu priority", 710); action->setData("SMILES"); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(tr("InChI…"), this); action->setProperty("menu priority", 700); action->setData("InChI"); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); // These are the line formats that we can load -- key is a user-friendly name, // value is the file extension used to identify the file format. m_formats.insert(tr("InChI"), "inchi"s); m_formats.insert(tr("SMILES"), "smi"s); } LineFormatInput::~LineFormatInput() { delete m_reader; } QList LineFormatInput::actions() const { return m_actions; } QStringList LineFormatInput::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("&Insert"); } void LineFormatInput::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void LineFormatInput::showDialog() { if (!m_molecule) return; QWidget* parentAsWidget = qobject_cast(parent()); auto* theSender = qobject_cast(sender()); // Create a list of file formats that we can read: QStringList availableFormats; FileFormatManager& ffm = FileFormatManager::instance(); const FileFormat::Operations ops = FileFormat::Read | FileFormat::String; foreach (const QString& ident, m_formats.keys()) { const std::string& ext = m_formats[ident]; if (!ffm.fileFormatsFromFileExtension(ext, ops).empty()) availableFormats.push_back(ident); } if (availableFormats.empty()) { QMessageBox::warning(parentAsWidget, tr("No descriptors found!"), tr("No line format readers found!"), QMessageBox::Ok); return; } // Prompt user for input: LineFormatInputDialog dlg; dlg.setFormats(availableFormats); if (theSender != nullptr) dlg.setCurrentFormat(theSender->data().toString()); dlg.exec(); // check if the reply is empty if (dlg.result() != LineFormatInputDialog::Accepted || dlg.descriptor().isEmpty()) return; // nothing to do // Resolve any format conflicts: const std::string& ext = m_formats[dlg.format()]; const FileFormat* fmt = FileFormatDialog::findFileFormat( parentAsWidget, tr("Insert Molecule…"), QString("file.%1").arg(QString::fromStdString(ext)), ops); if (fmt == nullptr) { QMessageBox::warning(parentAsWidget, tr("No descriptors found!"), tr("Unable to load requested format reader."), QMessageBox::Ok); return; } m_reader = fmt->newInstance(); m_descriptor = dlg.descriptor().toStdString(); QProgressDialog progDlg(parentAsWidget); progDlg.setModal(true); progDlg.setWindowTitle(tr("Insert Molecule…")); progDlg.setLabelText(tr("Generating 3D molecule…")); progDlg.setRange(0, 0); progDlg.setValue(0); progDlg.show(); QtGui::Molecule newMol; m_reader->readString(m_descriptor, newMol); // check to make sure the coordinates of newMol are non-zero bool allZero = true; for (Index i = 0; i < newMol.atomCount(); i++) { auto vector = newMol.atomPosition3d(i); if (vector.x() != 0.0 || vector.y() != 0.0 || vector.z() != 0.0) { allZero = false; break; } } if (allZero) { QMessageBox::warning(parentAsWidget, tr("No coordinates found!"), tr("Unable to generate 3D coordinates."), QMessageBox::Ok); delete m_reader; return; } m_molecule->undoMolecule()->appendMolecule(newMol, "Insert Molecule"); emit requestActiveTool("Manipulator"); dlg.hide(); m_descriptor.clear(); delete m_reader; m_reader = nullptr; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/lineformatinput.h000066400000000000000000000027751516317240700321460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LINEFORMATINPUT_H #define AVOGADRO_QTPLUGINS_LINEFORMATINPUT_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { /** * @brief Load single-line molecule descriptors through an input dialog. */ class LineFormatInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit LineFormatInput(QObject* parent_ = nullptr); ~LineFormatInput() override; QString name() const override { return tr("LineFormatInput"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); private: QList m_actions; /// Maps identifier to extension: QMap m_formats; QtGui::Molecule* m_molecule; Io::FileFormat* m_reader; std::string m_descriptor; }; inline QString LineFormatInput::description() const { return tr("Load single-line molecule descriptors through an input dialog."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LINEFORMATINPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/lineformatinputdialog.cpp000066400000000000000000000035471516317240700336570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lineformatinputdialog.h" #include "ui_lineformatinputdialog.h" #include namespace Avogadro::QtPlugins { LineFormatInputDialog::LineFormatInputDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::LineFormatInputDialog) { m_ui->setupUi(this); QSettings settings; // set the last used descriptor QString lastDescriptor = settings.value("lineformatinput/lastDescriptor").toString(); setDescriptor(lastDescriptor); } LineFormatInputDialog::~LineFormatInputDialog() { delete m_ui; } void LineFormatInputDialog::setFormats(const QStringList& indents) { m_ui->formats->clear(); m_ui->formats->addItems(indents); QSettings settings; QString lastUsed = settings.value("lineformatinput/lastUsed").toString(); int index = m_ui->formats->findText(lastUsed); if (index >= 0) m_ui->formats->setCurrentIndex(index); } QString LineFormatInputDialog::format() const { return m_ui->formats->currentText(); } void LineFormatInputDialog::setCurrentFormat(const QString& format) { int index = m_ui->formats->findText(format); if (index >= 0) m_ui->formats->setCurrentIndex(index); } void LineFormatInputDialog::setDescriptor(const QString& descriptor) { m_ui->descriptor->setText(descriptor); } QString LineFormatInputDialog::descriptor() const { return m_ui->descriptor->text(); } void LineFormatInputDialog::accept() { QSettings settings; settings.setValue("lineformatinput/lastUsed", format()); settings.setValue("lineformatinput/lastDescriptor", descriptor()); QDialog::accept(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/lineformatinputdialog.h000066400000000000000000000021741516317240700333170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LINEFORMATINPUTDIALOG_H #define AVOGADRO_QTPLUGINS_LINEFORMATINPUTDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class LineFormatInputDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class LineFormatInputDialog : public QDialog { Q_OBJECT public: explicit LineFormatInputDialog(QWidget* parent = nullptr); ~LineFormatInputDialog() override; void setFormats(const QStringList& indents); QString format() const; void setCurrentFormat(const QString& format); void setDescriptor(const QString& descriptor); QString descriptor() const; protected slots: void accept() override; private: Ui::LineFormatInputDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LINEFORMATINPUTDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/lineformatinput/lineformatinputdialog.ui000066400000000000000000000061721516317240700335070ustar00rootroot00000000000000 Avogadro::QtPlugins::LineFormatInputDialog 0 0 269 123 0 0 Insert Molecule… QFormLayout::ExpandingFieldsGrow Format: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Descriptor: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Qt::Horizontal 40 20 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtPlugins::LineFormatInputDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::LineFormatInputDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/000077500000000000000000000000001516317240700256555ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/CMakeLists.txt000066400000000000000000000005361516317240700304210ustar00rootroot00000000000000set(manipulator_srcs manipulator.cpp ) set(manipulator_uis manipulatewidget.ui ) set(manipulator_rcs manipulator.qrc ) avogadro_plugin(Manipulator "Manipulator" ToolPlugin manipulator.h Manipulator "${manipulator_srcs}" "${manipulator_uis}" "${manipulator_rcs}" ) target_link_libraries(Manipulator PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/manipulatewidget.ui000066400000000000000000000170601516317240700315630ustar00rootroot00000000000000 ManipulateWidget 0 0 371 292 Form Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 4 -999.990000000000009 999.990000000000009 Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 4 -999.990000000000009 999.990000000000009 Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 4 -999.990000000000009 999.990000000000009 X Y Z Translate by: 0 Rotate around: Origin Center of Molecule Center of Selection Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter ° -360.000000000000000 360.000000000000000 Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter ° -360.000000000000000 360.000000000000000 Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter ° -360.000000000000000 360.000000000000000 X-axis Y-axis Z-axis 0 Move: Selected Atoms Everything Else QDialogButtonBox::StandardButton::Apply|QDialogButtonBox::StandardButton::Reset true Qt::Orientation::Vertical 20 262 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/manipulator.cpp000066400000000000000000000301301516317240700307110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "manipulator.h" #include "ui_manipulatewidget.h" #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::RWAtom; #define ROTATION_SPEED 0.5 class ManipulateWidget : public QWidget, public Ui::ManipulateWidget { public: ManipulateWidget(QWidget* parent = nullptr) : QWidget(parent) { setupUi(this); } }; Manipulator::Manipulator(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_pressedButtons(Qt::NoButton), m_toolWidget(new ManipulateWidget(dynamic_cast(parent_))), m_currentAction(Nothing) { QString shortcut = tr("Ctrl+5", "control-key 5"); m_activateAction->setText(tr("Manipulate")); m_activateAction->setToolTip( tr("Manipulation Tool\t(%1)\n\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms.") .arg(shortcut)); setIcon(); connect(m_toolWidget->buttonBox, SIGNAL(clicked(QAbstractButton*)), this, SLOT(buttonClicked(QAbstractButton*))); } Manipulator::~Manipulator() {} void Manipulator::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/manipulator_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/manipulator_light.svg")); } QWidget* Manipulator::toolWidget() const { return m_toolWidget; } void Manipulator::buttonClicked(QAbstractButton* button) { if (m_toolWidget == nullptr) return; // clear focus from the boxes (they eat up keystrokes) m_toolWidget->xTranslateSpinBox->clearFocus(); m_toolWidget->yTranslateSpinBox->clearFocus(); m_toolWidget->zTranslateSpinBox->clearFocus(); m_toolWidget->xRotateSpinBox->clearFocus(); m_toolWidget->yRotateSpinBox->clearFocus(); m_toolWidget->zRotateSpinBox->clearFocus(); if (m_toolWidget->buttonBox->buttonRole(button) != QDialogButtonBox::ApplyRole) { // reset values m_toolWidget->xTranslateSpinBox->setValue(0.0); m_toolWidget->yTranslateSpinBox->setValue(0.0); m_toolWidget->zTranslateSpinBox->setValue(0.0); m_toolWidget->xRotateSpinBox->setValue(0.0); m_toolWidget->yRotateSpinBox->setValue(0.0); m_toolWidget->zRotateSpinBox->setValue(0.0); return; } bool moveSelected = (m_toolWidget->moveComboBox->currentIndex() == 0); // apply values Vector3 delta(m_toolWidget->xTranslateSpinBox->value(), m_toolWidget->yTranslateSpinBox->value(), m_toolWidget->zTranslateSpinBox->value()); translate(delta, moveSelected); Vector3 rotation(m_toolWidget->xRotateSpinBox->value(), m_toolWidget->yRotateSpinBox->value(), m_toolWidget->zRotateSpinBox->value()); Vector3 center(0.0, 0.0, 0.0); // Check if we're rotating around the origin, the molecule centroid // or the center of selected atoms // == 0 is the default = origin if (m_toolWidget->rotateComboBox->currentIndex() == 1) { // molecule centroid center = m_molecule->molecule().centerOfGeometry(); } else if (m_toolWidget->rotateComboBox->currentIndex() == 2) { // center of selected atoms unsigned long selectedAtomCount = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; center += m_molecule->atomPosition3d(i); selectedAtomCount++; } if (selectedAtomCount > 0) center /= selectedAtomCount; } // Settings are in degrees #ifndef DEG_TO_RAD #define DEG_TO_RAD 0.0174532925 #endif axisRotate(rotation * DEG_TO_RAD, center, moveSelected); m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); } QUndoCommand* Manipulator::keyPressEvent(QKeyEvent* e) { switch (e->key()) { case Qt::Key_Left: case Qt::Key_H: case Qt::Key_A: translate(Vector3(-0.1, 0.0, 0.0)); e->accept(); break; case Qt::Key_Right: case Qt::Key_L: case Qt::Key_D: translate(Vector3(+0.1, 0.0, 0.0)); e->accept(); break; case Qt::Key_Up: case Qt::Key_K: case Qt::Key_W: translate(Vector3(0.0, +0.1, 0.0)); e->accept(); break; case Qt::Key_Down: case Qt::Key_J: case Qt::Key_S: translate(Vector3(0.0, -0.1, 0.0)); e->accept(); break; default: e->ignore(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); return nullptr; } QUndoCommand* Manipulator::mousePressEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; updatePressedButtons(e, false); m_lastMousePosition = e->pos(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); m_lastMouse3D = m_renderer->camera().unProject(windowPos); if (m_molecule) { m_molecule->setInteractive(true); } if (m_pressedButtons & Qt::LeftButton) { m_object = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_object.type) { case Rendering::AtomType: e->accept(); return nullptr; default: break; } } return nullptr; } QUndoCommand* Manipulator::mouseReleaseEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; updatePressedButtons(e, true); if (m_object.type == Rendering::InvalidType) return nullptr; if (m_molecule) { m_molecule->setInteractive(false); } switch (e->button()) { case Qt::LeftButton: case Qt::RightButton: resetObject(); e->accept(); break; default: break; } return nullptr; } QUndoCommand* Manipulator::mouseMoveEvent(QMouseEvent* e) { // if we're dragging through empty space, just return and ignore // (e.g., fall back to the navigate tool) const Core::Molecule* mol = &m_molecule->molecule(); if (mol->isSelectionEmpty() && m_object.type == Rendering::InvalidType) { e->ignore(); return nullptr; } updatePressedButtons(e, false); e->ignore(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); if (mol->isSelectionEmpty() && m_object.type == Rendering::AtomType && m_object.molecule == &m_molecule->molecule()) { // translate single atom position RWAtom atom = m_molecule->atom(m_object.index); Vector3f oldPos(atom.position3d().cast()); Vector3f newPos = m_renderer->camera().unProject(windowPos, oldPos); atom.setPosition3d(newPos.cast()); } else if (!mol->isSelectionEmpty()) { // update all selected atoms Vector3f newPos = m_renderer->camera().unProject(windowPos); Vector3 delta = (newPos - m_lastMouse3D).cast(); if (m_currentAction == Translation) { translate(delta); } else { // get the center of the selected atoms Vector3 centroid(0.0, 0.0, 0.0); unsigned long selectedAtomCount = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; centroid += m_molecule->atomPosition3d(i); selectedAtomCount++; } if (selectedAtomCount > 0) centroid /= selectedAtomCount; if (m_currentAction == Rotation) { rotate(delta, centroid); } else if (m_currentAction == ZoomTilt) { tilt(delta, centroid); } } // now that we've moved things, save the position m_lastMouse3D = newPos; } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); e->accept(); return nullptr; } void Manipulator::translate(Vector3 delta, bool moveSelected) { for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d(i, currentPos + delta.cast()); } } void Manipulator::rotate(Vector3 delta, Vector3 centroid, bool moveSelected) { // Rotate the selected atoms about the center // rotate only selected primitives Rendering::Camera* camera = &m_renderer->camera(); Eigen::Vector3d backTransformX = camera->modelView().cast().linear().row(0).transpose().normalized(); Eigen::Vector3d backTransformY = camera->modelView().cast().linear().row(1).transpose().normalized(); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; fragmentRotation.rotate( Eigen::AngleAxisd(delta[1] * ROTATION_SPEED, backTransformX)); fragmentRotation.rotate( Eigen::AngleAxisd(delta[0] * ROTATION_SPEED, backTransformY)); fragmentRotation.translate(-centroid); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void Manipulator::axisRotate(Vector3 delta, Vector3 centroid, bool moveSelected) { // rotate by the x, y, z axes by delta[0], delta[1], delta[2] // (in radians) for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; // Rotate around the x-axis fragmentRotation.rotate( Eigen::AngleAxisd(delta[0], Vector3(1.0, 0.0, 0.0))); // Rotate around the y-axis fragmentRotation.rotate( Eigen::AngleAxisd(delta[1], Vector3(0.0, 1.0, 0.0))); // Rotate around the z-axis fragmentRotation.rotate( Eigen::AngleAxisd(delta[2], Vector3(0.0, 0.0, 1.0))); fragmentRotation.translate(-centroid); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void Manipulator::tilt(Vector3 delta, Vector3 centroid) { // Rotate the selected atoms about the center // rotate only selected primitives Rendering::Camera* camera = &m_renderer->camera(); Eigen::Vector3d backTransformZ = camera->modelView().cast().linear().row(2).transpose().normalized(); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; fragmentRotation.rotate( Eigen::AngleAxisd(delta[0] * ROTATION_SPEED, backTransformZ)); fragmentRotation.translate(-centroid); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void Manipulator::updatePressedButtons(QMouseEvent* e, bool release) { if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); // check for modifier keys (e.g., Mac) if (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::NoModifier) { m_currentAction = Translation; } else if (e->buttons() & Qt::MiddleButton || (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::ShiftModifier)) { m_currentAction = ZoomTilt; } else if (e->buttons() & Qt::RightButton || (e->buttons() & Qt::LeftButton && (e->modifiers() == Qt::ControlModifier || e->modifiers() == Qt::MetaModifier))) { m_currentAction = Rotation; } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/manipulator.h000066400000000000000000000055741516317240700303740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MANIPULATOR_H #define AVOGADRO_QTPLUGINS_MANIPULATOR_H #include #include #include #include #include // for Qt:: namespace #include namespace Avogadro { namespace QtPlugins { class ManipulateWidget; /** * @class Manipulator manipulator.h * * @brief The Manipulator class manipulates a molecule's geometry. * @author Allison Vacanti */ class Manipulator : public QtGui::ToolPlugin { Q_OBJECT public: explicit Manipulator(QObject* parent_ = nullptr); ~Manipulator() override; QString name() const override { return tr("Manipulate tool"); } QString description() const override { return tr("Manipulate tool"); } unsigned char priority() const override { return 30; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; public slots: void buttonClicked(QAbstractButton* button); private: /** * Update the currently pressed buttons, accounting for modifier keys. * \todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); void resetObject() { m_object = Rendering::Identifier(); } void translate(Vector3 delta, bool moveSelected = true); void rotate(Vector3 delta, Vector3 centroid, bool moveSelected = true); void axisRotate(Vector3 delta, Vector3 centroid, bool moveSelected = true); void tilt(Vector3 delta, Vector3 centroid); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; Rendering::Identifier m_object; QPoint m_lastMousePosition; Vector3f m_lastMouse3D; Qt::MouseButtons m_pressedButtons; ManipulateWidget* m_toolWidget; enum ToolAction { Nothing = 0, Rotation, Translation, ZoomTilt, Zoom }; ToolAction m_currentAction; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_MANIPULATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/manipulator.qrc000066400000000000000000000002231516317240700307140ustar00rootroot00000000000000 manipulator_light.svg manipulator_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/manipulator_dark.svg000066400000000000000000000030331516317240700317310ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/manipulator/manipulator_light.svg000066400000000000000000000071431516317240700321250ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/000077500000000000000000000000001516317240700256615ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/CMakeLists.txt000066400000000000000000000005111516317240700304160ustar00rootroot00000000000000set(measuretool_srcs measuretool.cpp ) set(measuretool_uis ) set(measuretool_rcs measuretool.qrc ) avogadro_plugin(MeasureTool "Measure tool" ToolPlugin measuretool.h MeasureTool "${measuretool_srcs}" "${measuretool_uis}" "${measuretool_rcs}" ) target_link_libraries(MeasureTool PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/measure_dark.svg000066400000000000000000000071251516317240700310510ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/measure_light.svg000066400000000000000000000070611516317240700312360ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/measuretool.cpp000066400000000000000000000174501516317240700307330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "measuretool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::contrastColor; using Avogadro::Core::Elements; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; namespace Avogadro::QtPlugins { MeasureTool::MeasureTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_rwMolecule(nullptr), m_renderer(nullptr) { QString shortcut = tr("Ctrl+8", "control-key 8"); m_activateAction->setText(tr("Measure")); m_activateAction->setToolTip( tr("Measure Tool\t(%1)\n\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements.") .arg(shortcut)); setIcon(); } MeasureTool::~MeasureTool() {} void MeasureTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/measure_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/measure_light.svg")); } QWidget* MeasureTool::toolWidget() const { return nullptr; } QUndoCommand* MeasureTool::mousePressEvent(QMouseEvent* e) { if (e->button() != Qt::LeftButton || !m_renderer) return nullptr; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // If an atom is clicked, accept the event, but don't add it to the atom list // until the button is released (this way the user can cancel the click by // moving off the atom, and the click won't get passed to the default tool). if (hit.type == Rendering::AtomType) e->accept(); return nullptr; } QUndoCommand* MeasureTool::mouseReleaseEvent(QMouseEvent* e) { // If the click is released on an atom, add it to the list if (e->button() != Qt::LeftButton || !m_renderer) return nullptr; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // Now add the atom on release. if (hit.type == Rendering::AtomType) { if (toggleAtom(hit)) emit drawablesChanged(); e->accept(); } return nullptr; } QUndoCommand* MeasureTool::mouseDoubleClickEvent(QMouseEvent* e) { // Reset the atom list if (e->button() == Qt::LeftButton && !m_atoms.isEmpty()) { m_atoms.clear(); emit drawablesChanged(); e->accept(); } return nullptr; } template void MeasureTool::createLabels(T* mol, GeometryNode* geo, QVector& positions) { TextProperties atomLabelProp; atomLabelProp.setFontFamily(TextProperties::SansSerif); atomLabelProp.setAlign(TextProperties::HCenter, TextProperties::VCenter); for (int i = 0; i < m_atoms.size(); ++i) { Identifier& ident = m_atoms[i]; Q_ASSERT(ident.type == Rendering::AtomType); Q_ASSERT(ident.molecule != nullptr); typename T::AtomType atom = mol->atom(ident.index); Q_ASSERT(atom.isValid()); unsigned char atomicNumber(atom.atomicNumber()); positions[i] = atom.position3d(); const unsigned char* color = Elements::color(atomicNumber); atomLabelProp.setColorRgb(contrastColor(Vector3ub(color)).data()); auto* label = new TextLabel3D; label->setText(QString("#%1").arg(i + 1).toStdString()); label->setTextProperties(atomLabelProp); label->setAnchor(positions[i].cast()); label->setRadius( static_cast(Elements::radiusCovalent(atomicNumber)) + 0.1f); geo->addDrawable(label); } } void MeasureTool::draw(Rendering::GroupNode& node) { if (m_atoms.size() == 0) return; auto* geo = new GeometryNode; node.addChild(geo); // Add labels, extract positions QVector positions(m_atoms.size(), Vector3()); if (m_molecule) createLabels(m_molecule, geo, positions); else if (m_rwMolecule) createLabels(m_rwMolecule, geo, positions); // Calculate angles and distances Vector3 v1; Vector3 v2; Vector3 v3; Real v1Norm = -1.f; Real v2Norm = -1.f; Real v3Norm = -1.f; switch (m_atoms.size()) { case 4: v3 = positions[3] - positions[2]; v3Norm = v3.norm(); [[fallthrough]]; case 3: v2 = positions[2] - positions[1]; v2Norm = v2.norm(); [[fallthrough]]; case 2: v1 = positions[1] - positions[0]; v1Norm = v1.norm(); [[fallthrough]]; default: break; } QString overlayText; float angle23 = 361.f; float angle12 = 361.f; QString dihedralLabel = tr("Dihedral:"); QString angleLabel = tr("Angle:"); QString distanceLabel = tr("Distance:"); // Use the longest label size to determine the field width. Negate it to // indicate left-alignment. int labelWidth = -std::max( { dihedralLabel.size(), angleLabel.size(), distanceLabel.size() }); switch (m_atoms.size()) { case 4: overlayText += QString("%1 %L2°\n") .arg(tr("Dihedral:"), labelWidth) .arg(dihedralAngle(v1, v2, v3), 9, 'f', 3); angle23 = bondAngle(v2, v3); [[fallthrough]]; case 3: angle12 = bondAngle(v1, v2); overlayText += QString("%1 %L2°") .arg(tr("Angle:"), labelWidth) .arg(angle12, 9, 'f', 3); if (angle23 < 360.f) overlayText += QString(" %L1°").arg(angle23, 9, 'f', 3); overlayText += '\n'; [[fallthrough]]; case 2: overlayText += QString("%1 %L2 Å") .arg(tr("Distance:"), labelWidth) .arg(v1Norm, 9, 'f', 3); if (v2Norm >= 0.f) overlayText += QString(" %L1 Å").arg(v2Norm, 9, 'f', 3); if (v3Norm >= 0.f) overlayText += QString(" %L1 Å").arg(v3Norm, 9, 'f', 3); [[fallthrough]]; default: break; } if (overlayText.isEmpty()) return; TextProperties overlayTProp; overlayTProp.setFontFamily(TextProperties::Mono); Vector3ub color(64, 255, 220); if (m_renderer) { auto backgroundColor = m_renderer->scene().backgroundColor(); color = contrastColor( Vector3ub(backgroundColor[0], backgroundColor[1], backgroundColor[2])); } overlayTProp.setColorRgb(color[0], color[1], color[2]); overlayTProp.setAlign(TextProperties::HLeft, TextProperties::VBottom); auto* label = new TextLabel2D; label->setText(overlayText.toStdString()); label->setTextProperties(overlayTProp); label->setRenderPass(Rendering::Overlay2DPass); label->setAnchor(Vector2i(10, 10)); geo->addDrawable(label); } bool MeasureTool::toggleAtom(const Rendering::Identifier& atom) { int ind = m_atoms.indexOf(atom); if (ind >= 0) { m_atoms.remove(ind); return true; } if (m_atoms.size() >= 4) return false; m_atoms.push_back(atom); return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/measuretool.h000066400000000000000000000050531516317240700303740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MEASURETOOL_H #define AVOGADRO_QTPLUGINS_MEASURETOOL_H #include #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief MeasureTool displays distances and angles between selected atoms. * * Based on the Avogadro 1.x implementation by Donald Ephraim Curtis and Marcus * D. Hanwell. */ class MeasureTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit MeasureTool(QObject* parent_ = nullptr); ~MeasureTool() override; QString name() const override { return tr("Measure tool"); } QString description() const override { return tr("Measure tool"); } unsigned char priority() const override { return 60; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule*) override; void setEditMolecule(QtGui::RWMolecule*) override; void setGLRenderer(Rendering::GLRenderer* renderer) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; void draw(Rendering::GroupNode& node) override; private: bool toggleAtom(const Rendering::Identifier& atom); template void createLabels(T* mol, Rendering::GeometryNode* geo, QVector& positions); QAction* m_activateAction; QtGui::Molecule* m_molecule; QtGui::RWMolecule* m_rwMolecule; Rendering::GLRenderer* m_renderer; QVector m_atoms; }; inline void MeasureTool::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { m_atoms.clear(); m_molecule = mol; m_rwMolecule = nullptr; } } inline void MeasureTool::setEditMolecule(QtGui::RWMolecule* mol) { if (m_rwMolecule != mol) { m_atoms.clear(); m_rwMolecule = mol; m_molecule = nullptr; } } inline void MeasureTool::setGLRenderer(Rendering::GLRenderer* renderer) { m_renderer = renderer; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_MEASURETOOL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/measuretool/measuretool.qrc000066400000000000000000000002131516317240700307230ustar00rootroot00000000000000 measure_light.svg measure_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/000077500000000000000000000000001516317240700274225ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/CMakeLists.txt000066400000000000000000000010221516317240700321550ustar00rootroot00000000000000set(molecularproperties_srcs molecularproperties.cpp molecularmodel.cpp molecularview.cpp ) avogadro_plugin(MolecularProperties "Show a window with basic molecular properties." ExtensionPlugin molecularproperties.h MolecularProperties "${molecularproperties_srcs}" ) # to fetch the molecule name from PubChem target_link_libraries(MolecularProperties PRIVATE Qt::Network) if(WIN32) # for https support target_link_libraries(MolecularProperties PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/molecularmodel.cpp000066400000000000000000000310171516317240700331340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecularmodel.h" #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::Core::BasisSet; using Avogadro::Core::GaussianSet; using Avogadro::QtGui::Molecule; using QtGui::Molecule; // CODATA 2022 // https://physics.nist.gov/cgi-bin/cuu/Value?hrev #define AU_TO_EV 27.211386245981 MolecularModel::MolecularModel(QObject* parent) : QAbstractTableModel(parent), m_molecule(nullptr) { } void MolecularModel::setMolecule(QtGui::Molecule* molecule) { // Disconnect from the old molecule if set if (m_molecule) { disconnect(m_molecule, &QtGui::Molecule::changed, this, &MolecularModel::updateTable); } m_molecule = molecule; // make sure we know if the molecule changed if (m_molecule) { connect(m_molecule, &QtGui::Molecule::changed, this, &MolecularModel::updateTable); } updateTable(QtGui::Molecule::Added); } QString MolecularModel::name() const { if (!m_molecule || m_molecule->atomCount() == 0) return QString(); // check if we have a markup_name if (!m_molecule->data("markup_name").toString().empty()) return QString::fromStdString(m_molecule->data("markup_name").toString()); // if not, check if there's any name if (!m_molecule->data("name").toString().empty()) return QString::fromStdString(m_molecule->data("name").toString()); return tr("(pending)"); } int MolecularModel::rowCount(const QModelIndex& parent) const { Q_UNUSED(parent); if (!m_molecule) return 0; return m_propertiesCache.size(); } int MolecularModel::columnCount(const QModelIndex& parent) const { Q_UNUSED(parent); return 1; // values } QString formatPointGroup(std::string pointgroup) { // first character is in capital // then everything else is in subscript using ... QString formatted = QString::fromStdString(pointgroup); QString output = formatted.at(0).toUpper(); output += QString("%1").arg(formatted.mid(1)); return output; } // Qt calls this for multiple "roles" across row / columns in the index // we also combine multiple types into this class, so lots of special cases QVariant MolecularModel::data(const QModelIndex& index, int role) const { if (!index.isValid() || m_molecule == nullptr) return QVariant(); int row = index.row(); [[maybe_unused]] int col = index.column(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // handle text alignments if (role == Qt::TextAlignmentRole) { return toVariant(Qt::AlignRight); } if (role != Qt::UserRole && role != Qt::DisplayRole && role != Qt::EditRole) return QVariant(); const auto map = m_propertiesCache; auto it = map.begin(); switch (row) { case 0: return name(); case 1: return m_molecule->mass(); case 2: return m_molecule->monoisotopicMass(); case 3: return m_molecule->formattedFormula(); case 4: return QVariant::fromValue(m_molecule->atomCount()); case 5: return QVariant::fromValue(m_molecule->bondCount()); } std::advance(it, row); auto key = it->first; if (key == " 6coordinateSets") return QVariant::fromValue(m_molecule->coordinate3dCount()); else if (key == " 7residues") return QVariant::fromValue(m_molecule->residueCount()); else if (key == " 9totalCharge") return QVariant::fromValue(static_cast(m_molecule->totalCharge())); else if (key == " 9totalSpinMultiplicity") return QVariant::fromValue( static_cast(m_molecule->totalSpinMultiplicity())); else if (key == "pointgroup") return formatPointGroup(it->second.toString()); return QString::fromStdString(it->second.toString()); } QVariant MolecularModel::headerData(int section, Qt::Orientation orientation, int role) const { // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // handle text alignments if (role == Qt::TextAlignmentRole) { if (orientation == Qt::Vertical) { return toVariant(Qt::AlignLeft); } return toVariant(Qt::AlignHCenter); } if (role != Qt::DisplayRole) return QVariant(); if (orientation == Qt::Horizontal) { return tr("Property"); } else if (orientation == Qt::Vertical) { const auto map = m_propertiesCache; auto it = map.begin(); std::advance(it, section); if (it->first == " 1name") return tr("Molecule Name"); else if (it->first == " 2mass") return tr("Molecular Mass (g/mol)"); else if (it->first == " 2monoisotopicMass") return tr("Monoisotopic Mass (g/mol)"); else if (it->first == " 3formula") return tr("Chemical Formula"); else if (it->first == " 4atoms") return tr("Number of Atoms"); else if (it->first == " 5bonds") return tr("Number of Bonds"); else if (it->first == " 6coordinateSets") return tr("Coordinate Sets"); else if (it->first == " 7residues") return tr("Number of Residues"); else if (it->first == " 8chains") return tr("Number of Chains"); else if (it->first == " 9totalCharge") return tr("Net Charge"); else if (it->first == " 9totalSpinMultiplicity") return tr("Net Spin Multiplicity"); else if (it->first == "dipoleMoment") return tr("Dipole Moment (Debye)"); else if (it->first == "homoEnergy") return tr("HOMO Energy (eV)", "highest occupied molecular orbital"); else if (it->first == "lumoEnergy") return tr("LUMO Energy (eV)", "lowest unoccupied molecular orbital"); else if (it->first == "somoEnergy") return tr("SOMO Energy (eV)", "singly-occupied molecular orbital"); else if (it->first == "totalEnergy") return tr("Total Energy (Hartree)", "total electronic energy in Hartrees"); else if (it->first == "zpe") return tr("Zero Point Energy (kcal/mol)", "zero point vibrational energy"); else if (it->first == "enthalpy") return tr("Enthalpy (kcal/mol)"); else if (it->first == "entropy") return tr("Entropy (kcal/mol•K)"); else if (it->first == "gibbs") return tr("Gibbs Free Energy (kcal/mol)"); else if (it->first == "pointgroup") return tr("Point Group", "point group symmetry"); else if (it != map.end()) return QString::fromStdString(it->first); return QVariant(); } else // row headers return QVariant(); return QVariant(); } Qt::ItemFlags MolecularModel::flags(const QModelIndex& index) const { if (!index.isValid()) return Qt::ItemIsEnabled; // return QAbstractItemModel::flags(index) | Qt::ItemIsEditable // for the types and columns that can be edited auto editable = Qt::ItemIsEnabled | Qt::ItemIsSelectable | Qt::ItemIsEditable; int row = index.row(); if (row == 0) // name return editable; const auto map = m_propertiesCache; auto it = map.begin(); std::advance(it, row); auto key = it->first; if (key == " 9totalCharge" || key == " 9totalSpinMultiplicity") return editable; return QAbstractItemModel::flags(index); } bool MolecularModel::setData(const QModelIndex& index, const QVariant& value, int role) { if (!index.isValid()) return false; if (role != Qt::EditRole) return false; int row = index.row(); if (row == 0) { // name should always be the first row m_molecule->setData("name", value.toString().toStdString()); m_molecule->setData("markup_name", value.toString().toStdString()); emit dataChanged(index, index); return true; } const auto map = m_propertiesCache; auto it = map.begin(); std::advance(it, row); auto key = it->first; if (key == " 9totalCharge") { m_molecule->setData("totalCharge", value.toInt()); emit dataChanged(index, index); return true; } else if (key == " 9totalSpinMultiplicity") { int spin = value.toInt(); if (spin < 1) return false; m_molecule->setData("totalSpinMultiplicity", value.toInt()); emit dataChanged(index, index); return true; } return false; } void MolecularModel::updateTable(unsigned int flags) { // cache all the properties m_propertiesCache.clear(); if (m_molecule == nullptr) return; // we use internal key names here and // update the display names in the headerData method m_propertiesCache.setValue(" 1name", name().toStdString()); m_propertiesCache.setValue(" 2mass", m_molecule->mass()); m_propertiesCache.setValue(" 2monoisotopicMass", m_molecule->monoisotopicMass()); m_propertiesCache.setValue(" 3formula", m_molecule->formattedFormula().toStdString()); m_propertiesCache.setValue(" 4atoms", static_cast(m_molecule->atomCount())); m_propertiesCache.setValue(" 5bonds", static_cast(m_molecule->bondCount())); if (m_molecule->coordinate3dCount() > 0) m_propertiesCache.setValue( " 6coordinateSets", static_cast(m_molecule->coordinate3dCount())); if (m_molecule->residueCount() > 0) { m_propertiesCache.setValue(" 7residues", static_cast(m_molecule->residueCount())); // figure out if we have multiple chains unsigned int chainCount = 0; unsigned int offset = 0; for (Index i = 0; i < m_molecule->residueCount(); ++i) { char chainId = m_molecule->residue(i).chainId(); if (chainId >= 'A' && chainId <= 'Z') offset = chainId - 'A'; else if (chainId >= 'a' && chainId <= 'z') offset = chainId - 'a'; else if (chainId >= '0' && chainId <= '9') offset = chainId - '0' + 15; // starts at 'P' chainCount = std::max(chainCount, offset); } m_propertiesCache.setValue(" 8chains", static_cast(chainCount)); } m_propertiesCache.setValue(" 9totalCharge", static_cast(m_molecule->totalCharge())); m_propertiesCache.setValue( " 9totalSpinMultiplicity", static_cast(m_molecule->totalSpinMultiplicity())); if (m_molecule->hasData("dipoleMoment")) { auto dipole = m_molecule->data("dipoleMoment").toVector3(); QString moment = QString::number(dipole.norm(), 'f', 3); m_propertiesCache.setValue("dipoleMoment", moment.toStdString()); } // TODO check for homo, lumo, or somo energies const auto* basis = m_molecule->basisSet(); const GaussianSet* gaussianSet = dynamic_cast(basis); if (gaussianSet != nullptr && gaussianSet->scfType() == Core::Rhf) { unsigned int homo = gaussianSet->homo(); unsigned int lumo = gaussianSet->lumo(); const auto moEnergies = gaussianSet->moEnergy(); if (moEnergies.size() > homo) { m_propertiesCache.setValue("homoEnergy", moEnergies[homo] * AU_TO_EV); } // look for the lumo if there's a degenerate HOMO const double threshold = 0.01 / AU_TO_EV; // 0.01 eV minimal separation while (moEnergies.size() > lumo && std::abs(moEnergies[lumo] - moEnergies[homo]) < threshold) { lumo += 1; } if (moEnergies.size() > lumo) m_propertiesCache.setValue("lumoEnergy", moEnergies[lumo] * AU_TO_EV); } // m_propertiesCache.setValue("somoEnergy", energy); // ignore potentially duplicate properties const auto& properties = m_molecule->dataMap(); for (const auto& key : properties.names()) { if (key == "formula" || key == "name" || key == "fileName" || key == "energies" || key == "markup_name" || key == "totalCharge" || key == "totalSpinMultiplicity") continue; // skip these if (properties.value(key).toString().empty()) continue; // don't bother with an empty value m_propertiesCache.setValue(key, properties.value(key)); } if (flags & Molecule::Added || flags & Molecule::Removed) { // tear it down and rebuild the model beginResetModel(); endResetModel(); } else { // we can just update the current data emit dataChanged( QAbstractItemModel::createIndex(0, 0), QAbstractItemModel::createIndex(rowCount(), columnCount())); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/molecularmodel.h000066400000000000000000000031711516317240700326010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef MOLECULARMODEL_H #define MOLECULARMODEL_H #include #include #include #include #include #include namespace Avogadro { namespace QtGui { class Molecule; } enum FixedRowType { Name = 0, Mass, Formula, Atoms, Bonds // these are the fixed rows }; namespace QtPlugins { class MolecularModel : public QAbstractTableModel { Q_OBJECT public slots: void updateTable(unsigned int flags); public: explicit MolecularModel(QObject* parent = nullptr); int rowCount(const QModelIndex& parent = QModelIndex()) const override; int columnCount(const QModelIndex& parent = QModelIndex()) const override; QVariant data(const QModelIndex& index, int role) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role = Qt::EditRole) override; QVariant headerData(int section, Qt::Orientation orientation, int role = Qt::DisplayRole) const override; void setMolecule(QtGui::Molecule* molecule); QString name() const; private: QtGui::Molecule* m_molecule = nullptr; Core::VariantMap m_propertiesCache; }; } // namespace QtPlugins } // end namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/molecularproperties.cpp000066400000000000000000000151271516317240700342340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecularproperties.h" #include "molecularmodel.h" #include "molecularview.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::RichTextDelegate; namespace Avogadro::QtPlugins { MolecularProperties::MolecularProperties(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_model(nullptr), m_network(new QNetworkAccessManager(this)) { m_action->setEnabled(true); m_action->setText(tr("&Molecular…")); m_action->setProperty("menu priority", 990); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); connect(m_network, SIGNAL(finished(QNetworkReply*)), this, SLOT(updateNameReady(QNetworkReply*))); } MolecularProperties::~MolecularProperties() {} QString MolecularProperties::description() const { return tr("View general properties of a molecule."); } QList MolecularProperties::actions() const { return QList() << m_action; } QStringList MolecularProperties::menuPath(QAction*) const { return QStringList() << tr("&Analyze") << tr("&Properties"); } void MolecularProperties::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; // Cancel any pending network request to avoid applying the wrong name if (m_nameRequestPending && m_pendingReply != nullptr) { m_pendingReply->abort(); m_pendingReply = nullptr; m_nameRequestPending = false; } // Disconnect from the old molecule if set if (m_molecule) { disconnect(m_molecule, &QtGui::Molecule::changed, this, &MolecularProperties::updateName); } m_molecule = mol; if (m_molecule) { if (m_model) m_model->setMolecule(m_molecule); connect(m_molecule, &QtGui::Molecule::changed, this, &MolecularProperties::updateName); updateName(); } } void MolecularProperties::updateName(bool checkDialog) { if (!m_molecule || m_molecule->atomCount() == 0) return; // only update the name if the dialog is open if (checkDialog && (m_dialog == nullptr || !m_dialog->isVisible())) return; // don't send multiple requests if (m_nameRequestPending) return; m_nameRequestPending = true; std::string smiles; Io::FileFormatManager::instance().writeString(*m_molecule, smiles, "smi"); QString smilesString = QString::fromStdString(smiles); smilesString.remove(QRegularExpression("\\s+.*")); QString requestURL = QString("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/" + QUrl::toPercentEncoding(smilesString) + "/json"); m_pendingReply = m_network->get(QNetworkRequest(QUrl(requestURL))); } void MolecularProperties::updateNameReady(QNetworkReply* reply) { m_nameRequestPending = false; m_pendingReply = nullptr; // Check if request was aborted or had network error if (reply->error() != QNetworkReply::NoError || !reply->isReadable()) { reply->deleteLater(); return; } // Read in all the data // and check if the data came through QByteArray data = reply->readAll(); if (data.contains("Error report") || data.contains("

")) { reply->deleteLater(); return; } // parse the JSON // https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/…/json // PC_Compounds[0].props // iterate // get "urn" / "name" == "Markup" and "Preferred" // .. get "value" / "sval" QJsonDocument doc = QJsonDocument::fromJson(data); QJsonObject obj = doc.object(); QJsonArray array = obj["PC_Compounds"].toArray(); if (array.isEmpty()) { reply->deleteLater(); return; } obj = array.first().toObject(); array = obj["props"].toArray(); // props is an array of objects for (const QJsonValue& value : array) { obj = value.toObject(); QJsonObject urn = obj["urn"].toObject(); if (urn["name"].toString() == "Preferred") { // save this text version for files and copy/paste QJsonObject nameValue = obj["value"].toObject(); if (m_molecule != nullptr) m_molecule->setData("name", nameValue["sval"].toString().toStdString()); } if (urn["name"].toString() == "Markup") { // HTML version for dialog QJsonObject nameValue = obj["value"].toObject(); if (m_molecule != nullptr) m_molecule->setData("markup_name", nameValue["sval"].toString().toStdString()); } } // tell the model to update if (m_model != nullptr) m_model->dataChanged(m_model->index(0, 0), m_model->index(0, 0)); reply->deleteLater(); } void MolecularProperties::showDialog() { if (m_dialog == nullptr) { // create it // copied from the propeties dialog m_dialog = new QDialog(qobject_cast(parent())); auto* layout = new QVBoxLayout(m_dialog); m_dialog->setLayout(layout); // Don't show whitespace around the table view layout->setSpacing(0); layout->setContentsMargins(0, 0, 0, 0); m_model = new MolecularModel(m_dialog); m_model->setMolecule(m_molecule); // view will delete itself & model using deleteLater() auto* view = new MolecularView(m_dialog); view->setMolecule(m_molecule); view->setSourceModel(m_model); view->setModel(m_model); // set the headers to true QFont font = view->horizontalHeader()->font(); font.setBold(true); view->horizontalHeader()->setFont(font); view->verticalHeader()->setFont(font); view->setItemDelegateForColumn(0, new RichTextDelegate(view)); view->horizontalHeader()->setStretchLastSection(true); view->resizeColumnsToContents(); layout->addWidget(view); m_dialog->setWindowTitle(view->windowTitle()); m_dialog->setWindowFlags(Qt::Window); } // update the name before we show the dialog if (m_molecule != nullptr) updateName(false); // we don't want to check the dialog m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/molecularproperties.h000066400000000000000000000031441516317240700336750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MOLECULARPROPERTIES_H #define AVOGADRO_QTPLUGINS_MOLECULARPROPERTIES_H #include class QDialog; class QNetworkAccessManager; class QNetworkReply; namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { class MolecularModel; /** * @brief The MolecularProperties class is an extension to launch * a MolecularPropertiesDialog. */ class MolecularProperties : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit MolecularProperties(QObject* parent_ = nullptr); ~MolecularProperties() override; QString name() const override { return tr("Molecular Properties"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void showDialog(); void updateName(bool checkDialog = true); void updateNameReady(QNetworkReply* reply); private: QAction* m_action; QtGui::Molecule* m_molecule; QDialog* m_dialog; QNetworkAccessManager* m_network; QNetworkReply* m_pendingReply = nullptr; bool m_nameRequestPending = false; MolecularModel* m_model; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_MOLECULARPROPERTIESEXTENSION_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/molecularview.cpp000066400000000000000000000143161516317240700330110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecularview.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using QtGui::Molecule; using QtPlugins::MolecularModel; MolecularView::MolecularView(QWidget* parent) : QTableView(parent), m_molecule(nullptr), m_model(nullptr) { this->setWindowTitle(tr("Molecule Properties")); QHeaderView* horizontal = this->horizontalHeader(); horizontal->setSectionResizeMode(QHeaderView::Interactive); QHeaderView* vertical = this->verticalHeader(); vertical->setSectionResizeMode(QHeaderView::Interactive); // You can select everything (e.g., to copy, select all, etc.) setCornerButtonEnabled(true); setSelectionBehavior(QAbstractItemView::SelectRows); setSelectionMode(QAbstractItemView::ExtendedSelection); // Alternating row colors setAlternatingRowColors(true); // Don't allow sorting the table setSortingEnabled(false); } void MolecularView::selectionChanged( [[maybe_unused]] const QItemSelection& selected, const QItemSelection&) { } void MolecularView::setMolecule(Molecule* molecule) { m_molecule = molecule; } void MolecularView::keyPressEvent(QKeyEvent* event) { // handle copy event // thanks to https://www.walletfox.com/course/qtableviewcopypaste.php if (!event->matches(QKeySequence::Copy)) { QTableView::keyPressEvent(event); return; } // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void MolecularView::copySelectedRowsToClipboard() { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void MolecularView::openExportDialogBox() { // Create a file dialog for selecting the export location and file name QString filePath = QFileDialog::getSaveFileName(this, tr("Export CSV"), QDir::homePath(), tr("CSV Files (*.csv);;All Files (*)")); if (filePath.isEmpty()) { // User canceled the dialog or didn't provide a file name return; } // Open the file for writing QFile file(filePath); if (!file.open(QIODevice::WriteOnly | QIODevice::Text)) { // Handle error opening the file QMessageBox::critical(this, tr("Error"), tr("Could not open the file for writing.")); return; } // Create a QTextStream to write to the file QTextStream stream(&file); // Write the header row with column names for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->headerData(col, Qt::Horizontal).toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; // Write the data rows for (int row = 0; row < model()->rowCount(); ++row) { stream << model()->headerData(row, Qt::Vertical).toString() << ","; for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->index(row, col).data().toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; } // Close the file file.close(); if (file.error() != QFile::NoError) { // Handle error closing the file QMessageBox::critical(this, tr("Error"), tr("Error writing to the file.")); } } void MolecularView::contextMenuEvent(QContextMenuEvent* event) { QMenu menu(this); QAction* copyAction = menu.addAction(tr("Copy")); menu.addAction(copyAction); connect(copyAction, &QAction::triggered, this, &MolecularView::copySelectedRowsToClipboard); QAction* exportAction = menu.addAction(tr("Export…")); menu.addAction(exportAction); connect(exportAction, &QAction::triggered, this, &MolecularView::openExportDialogBox); menu.exec(event->globalPos()); } } // end namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/molecularproperties/molecularview.h000066400000000000000000000023641516317240700324560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MOLECULARVIEW_H #define AVOGADRO_QTPLUGINS_MOLECULARVIEW_H #include "molecularmodel.h" #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class MolecularModel; } class MolecularView : public QTableView { Q_OBJECT public: explicit MolecularView(QWidget* parent = nullptr); void selectionChanged(const QItemSelection& selected, const QItemSelection& previous) override; void setMolecule(QtGui::Molecule* molecule); void setSourceModel(QtPlugins::MolecularModel* model) { m_model = model; } void contextMenuEvent(QContextMenuEvent* event) override; protected: // copy the selected properties to the clipboard void keyPressEvent(QKeyEvent* event) override; private: QtGui::Molecule* m_molecule; QtPlugins::MolecularModel* m_model; void copySelectedRowsToClipboard(); void openExportDialogBox(); }; } // end namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/000077500000000000000000000000001516317240700253145ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/CMakeLists.txt000066400000000000000000000004641516317240700300600ustar00rootroot00000000000000set(navigator_srcs navigator.cpp ) set(navigator_uis ) set(navigator_rcs navigator.qrc ) avogadro_plugin(Navigator "Navigation tool" ToolPlugin navigator.h Navigator "${navigator_srcs}" "${navigator_uis}" "${navigator_rcs}" ) target_link_libraries(Navigator PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/navigator.cpp000066400000000000000000000244411516317240700300170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "navigator.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { const float ZOOM_SPEED = 0.02f; const float ROTATION_SPEED = 0.005f; Navigator::Navigator(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_glWidget(nullptr), m_toolWidget(nullptr), m_renderer(nullptr), m_pressedButtons(Qt::NoButton), m_currentAction(Nothing) { QString shortcut = tr("Ctrl+1", "control-key 1"); m_activateAction->setText(tr("Navigate")); m_activateAction->setToolTip( tr("Navigation Tool\t(%1)\n\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.") .arg(shortcut)); setIcon(); QSettings settings; m_zoomDirection = settings.value("navigator/zoom", 1).toInt(); } void Navigator::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/navigator_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/navigator_light.svg")); } void Navigator::registerCommands() { emit registerCommand("rotateScene", tr("Rotate the scene along the x, y, or z axes.")); emit registerCommand("zoomScene", tr("Zoom the scene.")); emit registerCommand("translateScene", tr("Translate the scene.")); } bool Navigator::handleCommand(const QString& command, const QVariantMap& options) { if (m_renderer == nullptr) return false; // No camera if (command == "rotateScene") { float x = options.value("x").toFloat(); float y = options.value("y").toFloat(); float z = options.value("z").toFloat(); rotate(m_renderer->camera().focus(), x, y, z); m_glWidget->requestUpdate(); } else if (command == "zoomScene") { float d = options.value("delta").toFloat(); zoom(m_renderer->camera().focus(), d); m_glWidget->requestUpdate(); } else if (command == "translateScene") { float x = options.value("x").toFloat(); float y = options.value("y").toFloat(); translate(m_renderer->camera().focus(), x, y); m_glWidget->requestUpdate(); } else { qDebug() << "Unknown command: " << command; return false; } return true; } Navigator::~Navigator() {} QWidget* Navigator::toolWidget() const { if (!m_toolWidget) { m_toolWidget = new QWidget(qobject_cast(parent())); auto* layout = new QVBoxLayout; auto* swapZoom = new QCheckBox(tr("Reverse Direction of Zoom on Scroll")); swapZoom->setToolTip( tr("Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom")); connect(swapZoom, SIGNAL(toggled(bool)), this, SLOT(swapZoomDirection(bool))); layout->addWidget(swapZoom); layout->addStretch(1); m_toolWidget->setLayout(layout); } return m_toolWidget; } void Navigator::swapZoomDirection(bool checked) { m_zoomDirection = (checked ? -1 : 1); QSettings settings; settings.setValue("navigator/zoom", m_zoomDirection); } QUndoCommand* Navigator::mousePressEvent(QMouseEvent* e) { updatePressedButtons(e, false); m_lastMousePosition = e->pos(); e->accept(); // Figure out what type of navigation has been requested. if ((e->buttons() & Qt::LeftButton && e->modifiers() == Qt::NoModifier) || (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::AltModifier)) { m_currentAction = Rotation; } else if (e->buttons() & Qt::MiddleButton || (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::ShiftModifier)) { m_currentAction = ZoomTilt; } else if (e->buttons() & Qt::RightButton || (e->buttons() & Qt::LeftButton && (e->modifiers() == Qt::ControlModifier || e->modifiers() == Qt::MetaModifier))) { m_currentAction = Translation; } return nullptr; } QUndoCommand* Navigator::mouseReleaseEvent(QMouseEvent* e) { updatePressedButtons(e, true); m_lastMousePosition = QPoint(); m_currentAction = Nothing; e->accept(); return nullptr; } QUndoCommand* Navigator::mouseMoveEvent(QMouseEvent* e) { switch (m_currentAction) { case Rotation: { QPoint delta = e->pos() - m_lastMousePosition; rotate(m_renderer->camera().focus(), delta.y(), delta.x(), 0); e->accept(); break; } case Translation: { Vector2f fromScreen(m_lastMousePosition.x(), m_lastMousePosition.y()); Vector2f toScreen(e->localPos().x(), e->localPos().y()); translate(m_renderer->camera().focus(), fromScreen, toScreen); e->accept(); break; } case ZoomTilt: { QPoint delta = e->pos() - m_lastMousePosition; // Tilt rotate(m_renderer->camera().focus(), 0, 0, delta.x()); // Zoom // zoom(m_renderer->camera().focus(), delta.y()); e->accept(); break; } default:; } m_lastMousePosition = e->pos(); if (e->isAccepted()) emit updateRequested(); return nullptr; } QUndoCommand* Navigator::mouseDoubleClickEvent(QMouseEvent* e) { // Reset if (e->button() == Qt::MiddleButton) { if (m_glWidget) { m_glWidget->resetCamera(); e->accept(); emit updateRequested(); } } return nullptr; } QUndoCommand* Navigator::wheelEvent(QWheelEvent* e) { /// @todo Use scale for orthographic projections // Amount to zoom float d = 0.0f; QPoint numPixels = e->pixelDelta(); QPoint numDegrees = e->angleDelta() * 0.125; // see https://doc.qt.io/qt-5/qwheelevent.html#pixelDelta if (!numPixels.isNull() && QGuiApplication::platformName().toStdString().compare("xcb")) d = numPixels.y(); // use pixelDelta() when available, except on X11 else if (!numDegrees.isNull()) d = numDegrees.y(); // fall back to angleDelta() zoom(m_renderer->camera().focus(), m_zoomDirection * d); e->accept(); emit updateRequested(); return nullptr; } QUndoCommand* Navigator::keyPressEvent(QKeyEvent* e) { Vector3f ref = m_renderer->camera().focus(); // Alt modifier = bigger changes float scale = 1.0f; if (e->modifiers() & (Qt::AltModifier)) scale = 6.0f; // Get modifiers without Alt for comparison Qt::KeyboardModifiers mods = e->modifiers() & ~(Qt::AltModifier); switch (e->key()) { case Qt::Key_Left: case Qt::Key_H: case Qt::Key_A: if (mods == Qt::NoModifier || mods == Qt::KeypadModifier) rotate(ref, 0, -5 * scale, 0); else if (mods & Qt::ShiftModifier) rotate(ref, 0, 0, -5 * scale); else if (mods & Qt::ControlModifier) translate(ref, -5 * scale, 0); e->accept(); break; case Qt::Key_Right: case Qt::Key_L: case Qt::Key_D: if (mods == Qt::NoModifier || mods == Qt::KeypadModifier) rotate(ref, 0, 5 * scale, 0); else if (mods & Qt::ShiftModifier) rotate(ref, 0, 0, 5 * scale); else if (mods & Qt::ControlModifier) translate(ref, 5 * scale, 0); e->accept(); break; case Qt::Key_Up: case Qt::Key_K: case Qt::Key_W: if (mods == Qt::NoModifier || mods == Qt::KeypadModifier) rotate(ref, -5 * scale, 0, 0); else if (mods & Qt::ShiftModifier) zoom(ref, -2 * scale); else if (mods & Qt::ControlModifier) translate(ref, 0, -5 * scale); e->accept(); break; case Qt::Key_Down: case Qt::Key_J: case Qt::Key_S: if (mods == Qt::NoModifier || mods == Qt::KeypadModifier) rotate(ref, 5 * scale, 0, 0); else if (mods & Qt::ShiftModifier) zoom(ref, 2 * scale); else if (mods & Qt::ControlModifier) translate(ref, 0, 5 * scale); e->accept(); break; default: e->ignore(); } emit updateRequested(); return nullptr; } QUndoCommand* Navigator::keyReleaseEvent(QKeyEvent* e) { /// @todo e->ignore(); return nullptr; } inline void Navigator::updatePressedButtons(QMouseEvent* e, bool release) { /// @todo Use modifier keys on mac if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); } inline void Navigator::rotate(const Vector3f& ref, float x, float y, float z) { const Eigen::Affine3f& modelView = m_renderer->camera().modelView(); Vector3f xAxis = modelView.linear().row(0).transpose().normalized(); Vector3f yAxis = modelView.linear().row(1).transpose().normalized(); Vector3f zAxis = modelView.linear().row(2).transpose().normalized(); m_renderer->camera().translate(ref); m_renderer->camera().rotate(x * ROTATION_SPEED, xAxis); m_renderer->camera().rotate(y * ROTATION_SPEED, yAxis); m_renderer->camera().rotate(z * ROTATION_SPEED, zAxis); m_renderer->camera().translate(-ref); } inline void Navigator::zoom(const Vector3f& ref, float d) { const Eigen::Affine3f& modelView = m_renderer->camera().modelView(); Vector3f transformedCenter = modelView * ref; float distance = transformedCenter.norm(); float t = d * ZOOM_SPEED; float u = 2.0f / distance - 1.0f; if (t < u) t = u; if (m_renderer->camera().projectionType() == Rendering::Perspective) m_renderer->camera().preTranslate(transformedCenter * t); else m_renderer->camera().scale(t + 1.0f); } inline void Navigator::translate(const Vector3f& ref, float x, float y) { Vector2f fromScreen(0, 0); Vector2f toScreen(x, y); translate(ref, fromScreen, toScreen); } inline void Navigator::translate(const Vector3f& ref, const Vector2f& fromScr, const Vector2f& toScr) { Vector3f from(m_renderer->camera().unProject(fromScr, ref)); Vector3f to(m_renderer->camera().unProject(toScr, ref)); m_renderer->camera().translate(to - from); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/navigator.h000066400000000000000000000056771516317240700274760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_NAVIGATOR_H #define AVOGADRO_QTPLUGINS_NAVIGATOR_H #include #include #include #include // for Qt:: namespace namespace Avogadro { namespace QtPlugins { /** * @class Navigator navigator.h * @brief The Navigator tool updates the camera in response to user input. * @author Allison Vacanti */ class Navigator : public QtGui::ToolPlugin { Q_OBJECT public: explicit Navigator(QObject* parent_ = nullptr); ~Navigator() override; QString name() const override { return tr("Navigate tool"); } QString description() const override { return tr("Navigate tool"); } unsigned char priority() const override { return 10; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* wheelEvent(QWheelEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; QUndoCommand* keyReleaseEvent(QKeyEvent* e) override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; protected slots: void swapZoomDirection(bool checked); private: /** * Update the currently pressed buttons, accounting for modifier keys. * \todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); void rotate(const Vector3f& ref, float x, float y, float z); void zoom(const Vector3f& ref, float d); void translate(const Vector3f& ref, float x, float y); void translate(const Vector3f& ref, const Vector2f& from, const Vector2f& to); QAction* m_activateAction; QtGui::Molecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; mutable QWidget* m_toolWidget; Rendering::GLRenderer* m_renderer; Qt::MouseButtons m_pressedButtons; QPoint m_lastMousePosition; int m_zoomDirection; enum ToolAction { Nothing = 0, Rotation, Translation, ZoomTilt, Zoom }; ToolAction m_currentAction; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NAVIGATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/navigator.qrc000066400000000000000000000002171516317240700300150ustar00rootroot00000000000000 navigator_light.svg navigator_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/navigator_dark.svg000066400000000000000000000031631516317240700310330ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/navigator/navigator_light.svg000066400000000000000000000031471516317240700312230ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/networkdatabases/000077500000000000000000000000001516317240700266635ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/networkdatabases/CMakeLists.txt000066400000000000000000000005741516317240700314310ustar00rootroot00000000000000set(srcs networkdatabases.cpp ) avogadro_plugin(NetworkDatabases "Network databases" ExtensionPlugin networkdatabases.h NetworkDatabases "${srcs}" "" ) target_link_libraries(NetworkDatabases PRIVATE Avogadro::IO Qt::Network) if(WIN32) # for https support target_link_libraries(NetworkDatabases PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/networkdatabases/networkdatabases.cpp000066400000000000000000000070551516317240700327370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "networkdatabases.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { NetworkDatabases::NetworkDatabases(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_network(nullptr), m_progressDialog(nullptr) { m_action->setEnabled(true); m_action->setText("Download by &Name…"); m_action->setProperty("menu priority", 190); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } NetworkDatabases::~NetworkDatabases() {} QList NetworkDatabases::actions() const { return QList() << m_action; } QStringList NetworkDatabases::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Import"); } void NetworkDatabases::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool NetworkDatabases::readMolecule(QtGui::Molecule& mol) { if (m_moleculeData.isEmpty() || m_moleculeName.isEmpty()) return false; bool readOK = Io::FileFormatManager::instance().readString( mol, m_moleculeData.data(), "sdf"); if (readOK) // worked, so set the filename mol.setData("name", m_moleculeName.toStdString()); return readOK; } void NetworkDatabases::showDialog() { if (!m_network) { m_network = new QNetworkAccessManager(this); connect(m_network, SIGNAL(finished(QNetworkReply*)), this, SLOT(replyFinished(QNetworkReply*))); } // Prompt for a chemical structure name bool ok; QString structureName = QInputDialog::getText( qobject_cast(parent()), tr("Chemical Name"), tr("Chemical structure to download."), QLineEdit::Normal, "", &ok); if (!ok || structureName.isEmpty()) return; // Hard coding the NIH resolver download URL - this could be used for other // services m_network->get( QNetworkRequest(QUrl("https://cactus.nci.nih.gov/chemical/structure/" + structureName + "/file?format=sdf&get3d=true"))); m_moleculeName = structureName; if (!m_progressDialog) { m_progressDialog = new QProgressDialog(qobject_cast(parent())); } m_progressDialog->setLabelText(tr("Querying for %1").arg(structureName)); m_progressDialog->setRange(0, 0); m_progressDialog->show(); } void NetworkDatabases::replyFinished(QNetworkReply* reply) { m_progressDialog->hide(); // Read in all the data if (!reply->isReadable()) { QMessageBox::warning(qobject_cast(parent()), tr("Network Download Failed"), tr("Network timeout or other error.")); reply->deleteLater(); return; } m_moleculeData = reply->readAll(); // Check if the file was successfully downloaded if (m_moleculeData.contains("Error report") || m_moleculeData.contains("Page not found (404)")) { QMessageBox::warning( qobject_cast(parent()), tr("Network Download Failed"), tr("Specified molecule could not be found: %1").arg(m_moleculeName)); reply->deleteLater(); return; } emit moleculeReady(1); reply->deleteLater(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/networkdatabases/networkdatabases.h000066400000000000000000000032261516317240700324000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_NETWORKDATABASES_H #define AVOGADRO_QTPLUGINS_NETWORKDATABASES_H #include #include #include class QNetworkAccessManager; class QNetworkReply; class QProgressDialog; namespace Avogadro { namespace QtPlugins { /** * @brief Queries online databases (currently the NIH structure resolver) and * loads the returned structure if one is found. */ class NetworkDatabases : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit NetworkDatabases(QObject* parent = nullptr); ~NetworkDatabases() override; QString name() const override { return tr("Network Databases"); } QString description() const override { return tr("Interact with online databases, query structures etc."); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void showDialog(); void replyFinished(QNetworkReply*); private: QAction* m_action; QtGui::Molecule* m_molecule; QNetworkAccessManager* m_network; QString m_moleculeName; QByteArray m_moleculeData; QProgressDialog* m_progressDialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NETWORKDATABASES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/noncovalent/000077500000000000000000000000001516317240700256505ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/noncovalent/CMakeLists.txt000066400000000000000000000003411516317240700304060ustar00rootroot00000000000000avogadro_plugin(NonCovalent "Non-covalent interaction rendering, including hydrogen bonds" ScenePlugin noncovalent.h NonCovalent noncovalent.cpp "") target_link_libraries(NonCovalent PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/noncovalent/noncovalent.cpp000066400000000000000000000334421516317240700307100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "noncovalent.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include // bond angles #define M_TETRAHEDRAL (acosf(-1.0f / 3.0f)) #define M_TRIGONAL (2.0f * M_PI / 3.0f) namespace Avogadro::QtPlugins { using Core::Array; using Core::AtomHybridization; using Core::AtomUtilities; using Core::Bond; using Core::Elements; using Core::NeighborPerceiver; using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::WideLineGeometry; NonCovalent::NonCovalent(QObject* p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); QSettings settings; m_angleTolerancesDegrees = { settings.value("nonCovalent/angleTolerance0", 40.0).toDouble(), settings.value("nonCovalent/angleTolerance1", 40.0).toDouble(), settings.value("nonCovalent/angleTolerance2", 40.0).toDouble() }; m_maximumDistances = { settings.value("nonCovalent/maximumDistance0", 1.0).toDouble(), settings.value("nonCovalent/maximumDistance1", 2.0).toDouble(), settings.value("nonCovalent/maximumDistance2", 2.0).toDouble() }; auto hydrogenBColor = settings.value("nonCovalent/lineColor0", QColor(64, 192, 255)) .value(); auto halogenBColor = settings.value("nonCovalent/lineColor1", QColor(128, 255, 64)) .value(); auto chalcogenBColor = settings.value("nonCovalent/lineColor2", QColor(255, 192, 64)) .value(); m_lineColors = { Vector3ub(hydrogenBColor.red(), hydrogenBColor.green(), hydrogenBColor.blue()), Vector3ub(halogenBColor.red(), halogenBColor.green(), halogenBColor.blue()), Vector3ub(chalcogenBColor.red(), chalcogenBColor.green(), chalcogenBColor.blue()) }; m_lineWidths = { settings.value("nonCovalent/lineWidth0", 5.0).toFloat(), settings.value("nonCovalent/lineWidth1", 5.0).toFloat(), settings.value("nonCovalent/lineWidth2", 5.0).toFloat() }; } NonCovalent::~NonCovalent() {} enum InteractionTypes { NONE = -1, HYDROGEN_BOND = 0, HALOGEN_BOND = 1, CHALCOGEN_BOND = 2 }; static enum InteractionTypes getInteractionType(const Molecule& molecule, Index i) { unsigned char inum = molecule.atomicNumber(i); switch (inum) { case 1: // hydrogen bond for (const Bond* b : molecule.bonds(i)) { Index j = b->getOtherAtom(i).index(); unsigned char jnum = molecule.atomicNumber(j); switch (jnum) { case 7: case 8: case 9: // F, O, N return HYDROGEN_BOND; } } break; case 9: case 17: case 35: case 53: // halogen bond for (const Bond* b : molecule.bonds(i)) { Index j = (b->atom1().index() == i ? b->atom2() : b->atom1()).index(); unsigned char jnum = molecule.atomicNumber(j); switch (jnum) { case 6: case 7: case 8: case 9: case 16: case 17: case 35: case 53: // F, O, N, Cl, Br, C, I, S return HALOGEN_BOND; } } break; case 8: case 16: case 34: case 52: // chalcogen bond for (const Bond* b : molecule.bonds(i)) { Index j = (b->atom1().index() == i ? b->atom2() : b->atom1()).index(); unsigned char jnum = molecule.atomicNumber(j); switch (jnum) { case 6: // C return CHALCOGEN_BOND; } } break; } return NONE; } static bool checkPairDonorIsValid(const Molecule& molecule, Index n, int interactionType) { unsigned char nnum = molecule.atomicNumber(n); switch (interactionType) { case HYDROGEN_BOND: switch (nnum) { case 7: case 8: case 9: case 17: // F, O, N, Cl return true; } break; case HALOGEN_BOND: switch (nnum) { case 7: case 8: case 9: case 17: // F, O, N, Cl return true; } break; case CHALCOGEN_BOND: switch (nnum) { case 7: case 8: case 9: case 16: case 17: case 34: case 52: // F, O, N, Cl, S, Se, Te return true; } break; } return false; } static bool checkAtomPairNotBonded(const Molecule& molecule, Index i, Index n) { Array bonds = molecule.bonds(i); /* Return true if all of the bonds from i are to atoms other than n */ return std::all_of(bonds.begin(), bonds.end(), [i, n](const Bond* b) { return b->getOtherAtom(i).index() != n; }); } static float computeAngle(Vector3 a, Vector3 b) { return acos(a.normalized().dot(b.normalized())); } static bool checkHoleVector(const Molecule& molecule, Index i, const Vector3& in, float angleTolerance) { Array bonds = molecule.bonds(i); Vector3 pos = molecule.atomPosition3d(i); /* Return true if any of the bonds to i forms a small enough angle * with 'in' at the opposite side of atom 'i' */ for (const Bond* b : bonds) { Index n = b->getOtherAtom(i).index(); Vector3 npos = molecule.atomPosition3d(n); float oppositeAngle = M_PI - computeAngle(in, npos - pos); if (oppositeAngle <= angleTolerance) return true; } return false; } static bool checkPairVector(const Molecule& molecule, Index n, const Vector3& in, float angleTolerance) { AtomHybridization hybridization = AtomUtilities::perceiveHybridization(molecule.atom(n)); Array bonds = molecule.bonds(n); size_t bondCount = bonds.size(); std::vector bondVectors; Vector3 pos = molecule.atomPosition3d(n); /* Compute all bond vectors around atom n */ for (const Bond* b : bonds) bondVectors.emplace_back( molecule.atomPosition3d(b->getOtherAtom(n).index()) - pos); float pairAngle; switch (hybridization) { case Core::SP3: switch (bondCount) { case 0: pairAngle = 0.0f; break; case 1: pairAngle = fabs(computeAngle(bondVectors[0], in) - M_TETRAHEDRAL); break; case 2: { Vector3 pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization); pairAngle = computeAngle(pairVector, in); bondVectors.push_back(pairVector); pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization); pairAngle = std::min(pairAngle, computeAngle(pairVector, in)); break; } case 3: { Vector3 pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization); pairAngle = computeAngle(pairVector, in); break; } default: return false; } break; case Core::SP2: switch (bondCount) { case 0: pairAngle = 0.0f; break; case 1: pairAngle = fabs(computeAngle(bondVectors[0], in) - M_TRIGONAL); break; case 2: { Vector3 pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization); pairAngle = computeAngle(pairVector, in); break; } default: return false; } break; case Core::SP: switch (bondCount) { case 0: pairAngle = 0.0f; break; case 1: { pairAngle = fabs(computeAngle(bondVectors[0], in) - M_PI); break; } default: return false; } break; default: return true; } return pairAngle <= angleTolerance; } void NonCovalent::process(const Molecule& molecule, Rendering::GroupNode& node) { std::vector enabledAtoms; Array enabledPositions; Array atomRadii; const size_t atomCount = molecule.atomCount(); for (Index i = 0; i < atomCount; ++i) { enabledAtoms.push_back(i); enabledPositions.push_back(molecule.atomPosition3d(i)); atomRadii.push_back(Elements::radiusVDW(molecule.atomicNumber(i))); } float absoluteMaxDistance = *std::max_element(m_maximumDistances.begin(), m_maximumDistances.end()); NeighborPerceiver perceiver(enabledPositions, absoluteMaxDistance); auto* geometry = new GeometryNode; node.addChild(geometry); std::array lineGroups; for (Index type = 0; type < 3; type++) { lineGroups[type] = new WideLineGeometry; lineGroups[type]->identifier().molecule = &molecule; lineGroups[type]->identifier().type = Rendering::BondType; geometry->addDrawable(lineGroups[type]); } Array neighbors; for (Index i : enabledAtoms) { enum InteractionTypes interactionType = getInteractionType(molecule, i); if (interactionType == NONE) continue; Vector3 pos = molecule.atomPosition3d(i); double radius = atomRadii[i]; perceiver.getNeighborsInclusiveInPlace(neighbors, pos); for (Index ni : neighbors) { Index n = enabledAtoms[ni]; if (!checkPairDonorIsValid(molecule, n, interactionType)) continue; Vector3 npos = molecule.atomPosition3d(n); double nradius = atomRadii[n]; Vector3 distance_vector = npos - pos; if (distance_vector.norm() > m_maximumDistances[interactionType] + radius + nradius) continue; if (!checkAtomPairNotBonded(molecule, i, n)) continue; float angleTolerance = m_angleTolerancesDegrees[interactionType] * M_PI / 180.0; if (!checkHoleVector(molecule, i, distance_vector, angleTolerance)) continue; if (!checkPairVector(molecule, n, -distance_vector, angleTolerance)) continue; lineGroups[interactionType]->addDashedLine( pos.cast(), npos.cast(), m_lineColors[interactionType], m_lineWidths[interactionType] * WideLineGeometry::lineWidthScale, 8); } } } QWidget* NonCovalent::setupWidget() { auto* widget = new QWidget(qobject_cast(this->parent())); auto* v = new QVBoxLayout; auto* tabs = new QTabWidget; for (Index i = 0; i < 3; i++) { // angle tolerance auto* angle_spin = new QDoubleSpinBox; angle_spin->setRange(0.0, 180.0); angle_spin->setSingleStep(1.0); angle_spin->setDecimals(0); angle_spin->setSuffix(" °"); angle_spin->setValue(m_angleTolerancesDegrees[i]); QObject::connect( angle_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float tolerance) { return setAngleTolerance(tolerance, i); }); // maximum distance auto* distance_spin = new QDoubleSpinBox; distance_spin->setRange(1.0, 10.0); distance_spin->setSingleStep(0.1); distance_spin->setDecimals(1); distance_spin->setSuffix(" Å"); distance_spin->setValue(m_maximumDistances[i]); QObject::connect( distance_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float distance) { return setMaximumDistance(distance, i); }); // line width auto* lineWidth_spin = new QDoubleSpinBox; lineWidth_spin->setRange(1.0, 10.0); lineWidth_spin->setSingleStep(0.5); lineWidth_spin->setDecimals(1); lineWidth_spin->setValue(m_lineWidths[i]); QObject::connect(lineWidth_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float width) { return setLineWidth(width, i); }); auto* form = new QFormLayout; form->addRow(QObject::tr("Angle tolerance:"), angle_spin); form->addRow(QObject::tr("Maximum distance:"), distance_spin); form->addRow(QObject::tr("Line width:"), lineWidth_spin); auto* page = new QWidget; page->setLayout(form); switch (i) { case 0: tabs->addTab(page, tr("Hydrogen")); break; case 1: tabs->addTab(page, tr("Halogen")); break; case 2: tabs->addTab(page, tr("Chalcogen")); break; default:; } } v->addWidget(tabs); v->addStretch(1); widget->setLayout(v); return widget; } void NonCovalent::setAngleTolerance(float angleTolerance, Index index) { m_angleTolerancesDegrees[index] = float(angleTolerance); emit drawablesChanged(); QSettings settings; settings.setValue(QString("nonCovalent/angleTolerance%1").arg(index), angleTolerance); } void NonCovalent::setMaximumDistance(float maximumDistance, Index index) { m_maximumDistances[index] = float(maximumDistance); emit drawablesChanged(); QSettings settings; settings.setValue(QString("nonCovalent/maximumDistance%1").arg(index), maximumDistance); } void NonCovalent::setLineWidth(float width, Index index) { m_lineWidths[index] = width; emit drawablesChanged(); QSettings settings; settings.setValue(QString("nonCovalent/lineWidth%1").arg(index), width); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/noncovalent/noncovalent.h000066400000000000000000000032731516317240700303540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_NONCOVALENT_H #define AVOGADRO_QTPLUGINS_NONCOVALENT_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Predict some non-covalent interactions, like hydrogen bonds. * @author Aritz Erkiaga */ class NonCovalent : public QtGui::ScenePlugin { Q_OBJECT public: explicit NonCovalent(QObject* parent = nullptr); ~NonCovalent() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Non-Covalent"); } QString description() const override { return tr("Render a few non-covalent interactions."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void setAngleTolerance(float angleTolerance, Index index); void setMaximumDistance(float maximumDistance, Index index); void setLineWidth(float width, Index index); private: const std::string m_name = "Non-Covalent"; std::array m_angleTolerancesDegrees; std::array m_maximumDistances; std::array m_lineColors; std::array m_lineWidths; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NONCOVALENT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/000077500000000000000000000000001516317240700252515ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/CMakeLists.txt000066400000000000000000000007041516317240700300120ustar00rootroot00000000000000set(openbabel_srcs conformersearchdialog.cpp obcharges.cpp obfileformat.cpp obforcefielddialog.cpp obprocess.cpp openbabel.cpp ) set(openbabel_uis conformersearchdialog.ui obforcefielddialog.ui ) avogadro_plugin(OpenBabel "OpenBabel extension" ExtensionPlugin openbabel.h OpenBabel "${openbabel_srcs}" "${openbabel_uis}" ) target_link_libraries(OpenBabel PRIVATE Avogadro::IO Avogadro::Calc nlohmann_json::nlohmann_json) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/conformersearchdialog.cpp000066400000000000000000000116111516317240700323150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "conformersearchdialog.h" #include #include #include namespace Avogadro { ConformerSearchDialog::ConformerSearchDialog(QWidget* parent) : QDialog(parent) { ui.setupUi(this); connect(ui.systematicRadio, SIGNAL(toggled(bool)), this, SLOT(systematicToggled(bool))); connect(ui.randomRadio, SIGNAL(toggled(bool)), this, SLOT(randomToggled(bool))); connect(ui.weightedRadio, SIGNAL(toggled(bool)), this, SLOT(weightedToggled(bool))); connect(ui.geneticRadio, SIGNAL(toggled(bool)), this, SLOT(geneticToggled(bool))); connect(ui.buttonBox, SIGNAL(clicked(QAbstractButton*)), this, SLOT(buttonClicked(QAbstractButton*))); m_method = 1; // systematic m_numConformers = 100; ui.numSpin->setValue(0); ui.systematicRadio->setChecked(true); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); } ConformerSearchDialog::~ConformerSearchDialog() {} void ConformerSearchDialog::buttonClicked(QAbstractButton* button) { if (button == ui.buttonBox->button(QDialogButtonBox::Ok)) { emit accepted(); } close(); } QStringList ConformerSearchDialog::options() const { QStringList options; // in OB v3.2 options << "--steps" << QString::number(ui.optimizationStepsSpinBox->value()); if (ui.systematicRadio->isChecked()) options << "--systematic"; else if (ui.randomRadio->isChecked()) { options << "--random"; options << "--nconf" << QString::number(ui.numSpin->value()); } else if (ui.weightedRadio->isChecked()) { options << "--weighted"; options << "--nconf" << QString::number(ui.numSpin->value()); } else if (ui.geneticRadio->isChecked()) { // genetic is the default, no need to specify options << "--nconf" << QString::number(ui.numSpin->value()); options << "--children" << QString::number(ui.childrenSpinBox->value()); options << "--mutability" << QString::number(ui.mutabilitySpinBox->value()); options << "--convergence" << QString::number(ui.convergenceSpinBox->value()); options << "--scoring" << ui.scoringComboBox->currentText(); } return options; } void ConformerSearchDialog::systematicToggled(bool checked) { if (checked) { m_method = 1; ui.systematicRadio->setChecked(true); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); ui.numSpin->setEnabled(false); ui.numSpin->setValue(0); } } void ConformerSearchDialog::randomToggled(bool checked) { if (checked) { m_method = 2; ui.systematicRadio->setChecked(false); ui.randomRadio->setChecked(true); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); ui.numSpin->setEnabled(true); ui.numSpin->setValue(100); } } void ConformerSearchDialog::weightedToggled(bool checked) { if (checked) { m_method = 3; ui.systematicRadio->setChecked(false); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(true); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); ui.numSpin->setEnabled(true); ui.numSpin->setValue(100); } } void ConformerSearchDialog::geneticToggled(bool checked) { if (checked) { m_method = 4; ui.systematicRadio->setChecked(false); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(true); ui.childrenSpinBox->setEnabled(true); ui.mutabilitySpinBox->setEnabled(true); ui.convergenceSpinBox->setEnabled(true); ui.scoringComboBox->setEnabled(true); ui.numSpin->setEnabled(true); ui.numSpin->setValue(100); } } void ConformerSearchDialog::accept() { m_numConformers = ui.numSpin->value(); hide(); } void ConformerSearchDialog::reject() { hide(); } int ConformerSearchDialog::numConformers() { return m_numConformers; } int ConformerSearchDialog::method() { return m_method; } } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/conformersearchdialog.h000066400000000000000000000021451516317240700317640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef CONFORMERSEARCHDIALOG_H #define CONFORMERSEARCHDIALOG_H #include #include "ui_conformersearchdialog.h" namespace Avogadro { class ConformerSearchDialog : public QDialog { Q_OBJECT public: //! Constructor explicit ConformerSearchDialog(QWidget* parent = nullptr); //! Deconstructor ~ConformerSearchDialog() override; int method(); int numConformers(); QStringList options() const; public slots: void accept() override; void reject() override; void systematicToggled(bool checked); void randomToggled(bool checked); void weightedToggled(bool checked); void geneticToggled(bool checked); void buttonClicked(QAbstractButton* button); signals: void accepted(); private: Ui::ConformerSearchDialog ui; int m_method; int m_numConformers; }; } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/conformersearchdialog.ui000066400000000000000000000165131516317240700321560ustar00rootroot00000000000000 ConformerSearchDialog 0 0 338 400 Conformer Search Method Number of conformers: 10000 Systematic rotor search Random rotor search Weighted rotor search Genetic algorithm search Optimization per conformer: steps 5 250 25 Genetic Algorithm Options number of children for each parent geometry Children: number of children for each parent geometry 1 9999 5 mutation frequency (lower = more frequent mutations) Mutability: mutation frequency (lower = more frequent mutations) 1 9999 5 number of identical generations before convergence is reached Convergence: number of identical generations before convergence is reached 2 999 25 Scoring method: scoring method for the genetic algorithm (RMSD = geometric distance, energy = lowest energies) RMSD Energy Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() ConformerSearchDialog accept() 248 254 157 274 buttonBox rejected() ConformerSearchDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obcharges.cpp000066400000000000000000000130211516317240700277070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obcharges.h" #include "obprocess.h" #include #include #include #include #include #include namespace Avogadro { using Core::Array; using Core::Molecule; namespace QtPlugins { class OBCharges::ProcessListener : public QObject { Q_OBJECT public: ProcessListener() : QObject(), m_finished(false) {} bool waitForOutput(Array& output, int msTimeout = 120000) { if (!wait(msTimeout)) return false; // success! output = m_output; return true; } public slots: void responseReceived(const Array output) { m_finished = true; m_output = output; } private: bool wait(int msTimeout) { QTimer timer; timer.start(msTimeout); while (timer.isActive() && !m_finished) qApp->processEvents(QEventLoop::AllEvents, 500); return m_finished; } // OBProcess* m_process; bool m_finished; Array m_output; }; OBCharges::OBCharges(const std::string& id) : ChargeModel(), m_identifier(id) { // set the element mask based on our type / identifier m_elements.reset(); if (id == "eqeq") { // defined for 1-84 for (unsigned int i = 1; i <= 84; ++i) { m_elements.set(i); } } else if (id == "eem") { // H, Li, B, C, N, O, F, Na, Mg, Si, P, S, Cl m_elements.set(1); m_elements.set(3); m_elements.set(5); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(11); m_elements.set(12); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); } else if (id == "eem2015ba") { // H, C, N, O, F, P, S, Cl, Br, I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (id == "gasteiger") { // H, C, N, O, F, P, S, Cl, Br, I, Al m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(13); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (id == "mmff94") { // H, C, N, O, F, Si, P, S, Cl, Br, and I // ions - Fe, F, Cl, Br, Li, Na, K, Zn, Ca, Cu, Mg m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); // ions m_elements.set(3); m_elements.set(11); m_elements.set(12); m_elements.set(19); m_elements.set(20); m_elements.set(26); m_elements.set(29); m_elements.set(30); } } OBCharges::~OBCharges() {} std::string OBCharges::name() const { if (m_identifier == "eqeq") return "EQEq"; else if (m_identifier == "eem") return "EEM"; else if (m_identifier == "eem2015ba") return "EEM 2015"; else if (m_identifier == "gasteiger") return "Gasteiger"; else if (m_identifier == "mmff94") return "MMFF94"; else return ""; } MatrixX OBCharges::partialCharges(const Core::Molecule& molecule) const { MatrixX charges(molecule.atomCount(), 1); if (m_identifier.empty()) { // no identifier, so we can't get the charges return charges; } // check to see if we already have them in the molecule charges = molecule.partialCharges(m_identifier); // if the number of charges matches the number of atoms // and there's a non-zero charge, then we're done if (charges.rows() == static_cast(molecule.atomCount())) { for (unsigned int i = 0; i < charges.rows(); ++i) { if (abs(charges(i, 0)) > 0.00001) return charges; } } // otherwise, we're going to run obprocess to get the charges OBProcess process; ProcessListener listener; QObject::connect(&process, &OBProcess::chargesFinished, &listener, &ProcessListener::responseReceived); std::string outputString; // todo - check for failure, append errors, etc. m_cmlFormat.writeString(outputString, molecule); process.calculateCharges(QByteArray(outputString.c_str()), "cml", m_identifier); Core::Array output; if (!listener.waitForOutput(output)) { qDebug() << "Charges timed out."; return charges; } // push the output into our charges array for (unsigned int i = 0; i < output.size(); ++i) { charges(i, 0) = output[i]; } // workaround failed runs causing the code to freeze if (abs(charges(0, 0)) < 0.00001) charges(0, 0) = 0.0001; // check the size if (output.size() != molecule.atomCount()) { qDebug() << "Charges size mismatch."; return charges; } return charges; } MatrixX OBCharges::partialCharges(Core::Molecule& molecule) const { MatrixX charges = partialCharges(static_cast(molecule)); // cache the charges and allow them to show up in output molecule.setPartialCharges(m_identifier, charges); return charges; } } // namespace QtPlugins } // namespace Avogadro #include "obcharges.moc" OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obcharges.h000066400000000000000000000036341516317240700273650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBCHARGES_H #define AVOGADRO_QTPLUGINS_OBCHARGES_H #include #include namespace Avogadro { namespace QtPlugins { class OBCharges : public Avogadro::Calc::ChargeModel { public: OBCharges(const std::string& identifier = ""); ~OBCharges() override; /** * Create a new instance of the file format class. Ownership passes to the * caller. */ OBCharges* newInstance() const override { return new OBCharges; } /** * @brief A unique identifier defined by the file */ std::string identifier() const override { return m_identifier; } /** * @brief Set the identifier */ virtual void setIdentifier(const std::string& identifier) { m_identifier = identifier; } /** * @brief Based on the identifiers -- for the menus, etc. */ std::string name() const override; /** * @brief The element mask for a particular OB charge model (e.g., Gasteiger) * @return the mask relevant for this method */ Core::Molecule::ElementMask elements() const override { return m_elements; } /** * @brief Retrieve the relevant charges from the molecule for our defined type */ MatrixX partialCharges(Core::Molecule& mol) const override; MatrixX partialCharges(const Core::Molecule& mol) const override; /** * @brief Synchronous use of the OBProcess. */ class ProcessListener; protected: std::string m_identifier; std::string m_name; Core::Molecule::ElementMask m_elements; mutable Io::CmlFormat m_cmlFormat; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBCHARGES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obfileformat.cpp000066400000000000000000000213551516317240700304340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obfileformat.h" #include "obprocess.h" #include #include #include #include #include #include using namespace std::string_literals; using json = nlohmann::json; namespace Avogadro::QtPlugins { /** * @brief The ProcessListener class allows synchronous use of OBProcess. */ class OBFileFormat::ProcessListener : public QObject { Q_OBJECT public: ProcessListener() : QObject(), m_finished(false) {} bool waitForOutput(QByteArray& output, int msTimeout = 120000) { if (!wait(msTimeout)) return false; // success! output = m_output; return true; } public slots: void responseReceived(const QByteArray& output) { m_finished = true; m_output = output; } private: bool wait(int msTimeout) { QTimer timer; timer.start(msTimeout); while (timer.isActive() && !m_finished) qApp->processEvents(QEventLoop::AllEvents, 500); return m_finished; } OBProcess* m_process; bool m_finished; QByteArray m_output; }; OBFileFormat::OBFileFormat(const std::string& name_, const std::string& identifier_, const std::string& description_, const std::string& specificationUrl_, const std::vector fileExtensions_, const std::vector mimeTypes_, const std::string& defaultFormat_, bool fileOnly_) : Io::FileFormat(), m_description(description_), m_fileExtensions(fileExtensions_), m_mimeTypes(mimeTypes_), m_identifier(identifier_), m_name(name_), m_specificationUrl(specificationUrl_), m_defaultFormat(defaultFormat_), m_fileOnly(fileOnly_) { } OBFileFormat::~OBFileFormat() {} bool OBFileFormat::read(std::istream& in, Core::Molecule& molecule) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); // Allow blocking until the read is completed. OBProcess proc; ProcessListener listener; QObject::connect(&proc, SIGNAL(convertFinished(QByteArray)), &listener, SLOT(responseReceived(QByteArray))); // Just grab the first file extension from the list -- all extensions for a // given format map to the same parsers in OB. if (m_fileExtensions.empty()) { appendError("Internal error: No file extensions set."); return false; } // If we are reading a pure-2D format, generate 3D coordinates: QStringList options; QStringList formats2D; formats2D << "smi" << "smiles" << "can" << "inchi" << "wln"; if (formats2D.contains(QString::fromStdString(m_fileExtensions.front()))) options << "--gen3d"; // Check if we have extra arguments for open babel json extraArgs = opts.value("arguments", json::object()); if (extraArgs.is_array()) { for (const auto& arg : extraArgs) { if (arg.is_string()) options << arg.get().c_str(); } } // check if we're going to read to a different format // default is CML or CJSON QString format = QString::fromStdString(opts.value("format", m_defaultFormat)); if (!m_fileOnly) { // Determine length of data in.seekg(0, std::ios_base::end); std::istream::pos_type length = in.tellg(); in.seekg(0, std::ios_base::beg); in.clear(); // Extract char data QByteArray input; input.resize(static_cast(length)); in.read(input.data(), length); if (in.gcount() != length) { appendError("Error reading stream into buffer!"); return false; } // Perform the conversion. if (!proc.convert(input, QString::fromStdString(m_fileExtensions.front()), format, options)) { appendError("OpenBabel conversion failed!"); return false; } } else { // Can only read files. Need absolute path. QString filename = QString::fromStdString(fileName()); if (filename.isEmpty()) { // no choice but to write to a temporary file in.seekg(0, std::ios_base::end); std::istream::pos_type length = in.tellg(); in.seekg(0, std::ios_base::beg); in.clear(); // Extract data, hope it's not big QByteArray input; input.resize(static_cast(length)); in.read(input.data(), length); QTemporaryFile tmpFile; tmpFile.setAutoRemove(false); if (!tmpFile.open()) { appendError("Internal error -- failed to create a temporary file"); return false; } tmpFile.write(input.data()); tmpFile.close(); filename = tmpFile.fileName(); } if (!QFileInfo(filename).isAbsolute()) { appendError("Internal error -- filename must be absolute! " + filename.toStdString()); return false; } // Perform the conversion. if (!proc.convert(filename, QString::fromStdString(m_fileExtensions.front()), format, options)) { appendError("OpenBabel conversion failed!"); return false; } } QByteArray output; if (!listener.waitForOutput(output)) { appendError("Conversion timed out."s); return false; } if (output.isEmpty()) { appendError("OpenBabel error: conversion failed."s); return false; } if (format == "cml") { if (!m_cmlFormat.readString(std::string(output.constData()), molecule)) { appendError("Error while reading OpenBabel-generated CML:"s); appendError(m_cmlFormat.error()); return false; } } else if (format == "cjson") { if (!m_cjsonFormat.readString(std::string(output.constData()), molecule)) { appendError("Error while reading OpenBabel-generated CJSON:"s); appendError(m_cjsonFormat.error()); return false; } } else if (format == "pdb") { if (!m_pdbFormat.readString(std::string(output.constData()), molecule)) { appendError("Error while reading OpenBabel-generated PDB:"s); appendError(m_pdbFormat.error()); return false; } } else { return false; // unknown format } return true; } bool OBFileFormat::write(std::ostream& out, const Core::Molecule& molecule) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); // Check if we have extra arguments for open babel QStringList options; json extraArgs = opts.value("arguments", json::object()); if (extraArgs.is_array()) { for (const auto& arg : extraArgs) { if (arg.is_string()) options << arg.get().c_str(); } } #ifndef NDEBUG qDebug() << " writing to " << m_defaultFormat.c_str(); #endif // Generate CML or CJSON to give to OpenBabel std::string outputString; if (m_defaultFormat == "cml") { if (!m_cmlFormat.writeString(outputString, molecule)) { appendError("Error while writing CML:"s); appendError(m_cmlFormat.error()); return false; } } else if (m_defaultFormat == "cjson") { if (!m_cjsonFormat.writeString(outputString, molecule)) { appendError("Error while writing CJSON:"s); appendError(m_cjsonFormat.error()); return false; } } // Block until the OpenBabel conversion finishes: OBProcess proc; ProcessListener listener; QObject::connect(&proc, SIGNAL(convertFinished(QByteArray)), &listener, SLOT(responseReceived(QByteArray))); // Just grab the first file extension from the list -- all extensions for a // given format map to the same parsers in OB. if (m_fileExtensions.empty()) { appendError("Internal error: No file extensions set."); return false; } proc.convert(QByteArray(outputString.c_str()), m_defaultFormat.c_str(), QString::fromStdString(m_fileExtensions.front()), options); QByteArray output; if (!listener.waitForOutput(output)) { appendError("Conversion timed out."s); return false; } if (output.isEmpty()) { appendError("OpenBabel error: conversion failed."s); return false; } out.write(output.constData(), output.size()); return true; } void OBFileFormat::clear() { Io::FileFormat::clear(); } Io::FileFormat* OBFileFormat::newInstance() const { return new OBFileFormat(m_name, m_identifier, m_description, m_specificationUrl, m_fileExtensions, m_mimeTypes, m_defaultFormat, m_fileOnly); } } // namespace Avogadro::QtPlugins #include "obfileformat.moc" OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obfileformat.h000066400000000000000000000054301516317240700300750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBFILEFORMAT_H #define AVOGADRO_QTPLUGINS_OBFILEFORMAT_H #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The OBFileFormat class implements the FileFormat API for using an * OBProcess for file IO. */ class OBFileFormat : public Avogadro::Io::FileFormat { public: OBFileFormat(const std::string& name_, const std::string& identifier_, const std::string& description_, const std::string& specificationUrl_, const std::vector fileExtensions_, const std::vector mimeTypes_, const std::string& defaultFormat_, bool fileOnly_ = false); ~OBFileFormat() override; Operations supportedOperations() const override { return m_rwFlags | File | (m_fileOnly ? None : Stream | String); } bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; void clear() override; FileFormat* newInstance() const override; std::string description() const override { return m_description; } std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string specificationUrl() const override { return m_specificationUrl; } std::vector fileExtensions() const override { return m_fileExtensions; } std::vector mimeTypes() const override { return m_mimeTypes; } /** * Set whether this format supports read and/or write operations. */ void setReadWriteFlags(Operations ops) { m_rwFlags = ops & ReadWrite; } /** Whether or not the format supports files only. This is needed for * multifile formats. */ void setFileOnly(bool f) { m_fileOnly = f; } bool fileOnly() const { return m_fileOnly; } /** @} */ class ProcessListener; private: Operations m_rwFlags; std::string m_description; std::vector m_fileExtensions; std::vector m_mimeTypes; std::string m_identifier; std::string m_name; std::string m_specificationUrl; std::string m_defaultFormat; bool m_fileOnly; // internal format objects for interchange with obabel Io::CjsonFormat m_cjsonFormat; Io::CmlFormat m_cmlFormat; Io::PdbFormat m_pdbFormat; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBFILEFORMAT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obforcefielddialog.cpp000066400000000000000000000202761516317240700315670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obforcefielddialog.h" #include "ui_obforcefielddialog.h" #include #include #include #include #include // for log10 namespace Avogadro::QtPlugins { enum OptimizationAlgorithm { SteepestDescent = 0, ConjugateGradient }; enum LineSearchMethod { Simple = 0, Newton }; OBForceFieldDialog::OBForceFieldDialog(const QStringList& forceFields, QWidget* parent_) : QDialog(parent_), ui(new Ui::OBForceFieldDialog) { ui->setupUi(this); ui->forceField->addItems(forceFields); updateRecommendedForceField(); connect(ui->useRecommended, SIGNAL(toggled(bool)), SLOT(useRecommendedForceFieldToggled(bool))); QSettings settings; bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); ui->useRecommended->setChecked(autoDetect); } OBForceFieldDialog::~OBForceFieldDialog() { delete ui; } QStringList OBForceFieldDialog::prompt(QWidget* parent_, const QStringList& forceFields, const QStringList& startingOptions, const QString& recommendedForceField_) { OBForceFieldDialog dlg(forceFields, parent_); dlg.setOptions(startingOptions); dlg.setRecommendedForceField(recommendedForceField_); QStringList options; if (static_cast(dlg.exec()) == Accepted) options = dlg.options(); return options; } QStringList OBForceFieldDialog::options() const { QStringList opts; opts << "--crit" << QString::number(std::pow(10.0f, ui->energyConv->value()), 'e', 0) << "--ff" << ui->forceField->currentText() << "--steps" << QString::number(ui->stepLimit->value()) << "--rvdw" << QString::number(ui->vdwCutoff->value()) << "--rele" << QString::number(ui->eleCutoff->value()) << "--freq" << QString::number(ui->pairFreq->value()); switch (static_cast(ui->algorithm->currentIndex())) { case SteepestDescent: opts << "--sd"; break; default: case ConjugateGradient: break; } switch (static_cast(ui->lineSearch->currentIndex())) { case Newton: opts << "--newton"; break; default: case Simple: break; } if (ui->enableCutoffs->isChecked()) opts << "--cut"; return opts; } void OBForceFieldDialog::setOptions(const QStringList& opts) { // Set some defaults. These match the defaults in obabel -L minimize ui->energyConv->setValue(-6); ui->algorithm->setCurrentIndex(static_cast(ConjugateGradient)); ui->lineSearch->setCurrentIndex(static_cast(Simple)); ui->stepLimit->setValue(2500); ui->enableCutoffs->setChecked(false); ui->vdwCutoff->setValue(10.0); ui->eleCutoff->setValue(10.0); ui->pairFreq->setValue(10); for (QStringList::const_iterator it = opts.constBegin(), itEnd = opts.constEnd(); it < itEnd; ++it) { // We'll always use log: if (*it == "--log") { continue; } // Energy convergence: else if (*it == "--crit") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--crit missing argument."; continue; } bool ok; float econv = it->toFloat(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--crit is not numeric: " << *it; continue; } // We just show the econv as 10^(x), so calculate the nearest x int exponent = static_cast(std::floor(std::log10(econv) + 0.5)); ui->energyConv->setValue(exponent); continue; } // Use steepest descent? else if (*it == "--sd") { ui->algorithm->setCurrentIndex(SteepestDescent); continue; } // Use newton linesearch? else if (*it == "--newton") { ui->lineSearch->setCurrentIndex(Newton); continue; } // Force field? else if (*it == "--ff") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--ff missing argument."; continue; } int index = ui->forceField->findText(*it); if (index < 0) { qWarning() << "OBForceFieldDialog::setOptions: " "--ff unknown: " << *it; continue; } ui->forceField->setCurrentIndex(index); continue; } // Step limit? else if (*it == "--steps") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--steps missing argument."; continue; } bool ok; int numSteps = it->toInt(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--steps is not numeric: " << *it; continue; } ui->stepLimit->setValue(numSteps); continue; } // Use cutoff? else if (*it == "--cut") { ui->enableCutoffs->setChecked(true); continue; } // Van der Waals cutoff else if (*it == "--rvdw") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--rvdw missing argument."; continue; } bool ok; double cutoff = it->toDouble(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--rvdw is not numeric: " << *it; continue; } ui->vdwCutoff->setValue(cutoff); continue; } // electrostatic cutoff else if (*it == "--rele") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--rele missing argument."; continue; } bool ok; double cutoff = it->toDouble(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--rele is not numeric: " << *it; continue; } ui->eleCutoff->setValue(cutoff); continue; } // Pair update frequency: else if (*it == "--freq") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--freq missing argument."; continue; } bool ok; int numSteps = it->toInt(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--freq is not numeric: " << *it; continue; } ui->pairFreq->setValue(numSteps); continue; } // ????? else { qWarning() << "OBForceFieldDialog::setOptions: " "Unrecognized option: " << *it; } } } void OBForceFieldDialog::setRecommendedForceField(const QString& rff) { if (rff == m_recommendedForceField) return; if (ui->forceField->findText(rff) == -1) return; m_recommendedForceField = rff; updateRecommendedForceField(); } void OBForceFieldDialog::useRecommendedForceFieldToggled(bool state) { if (!m_recommendedForceField.isEmpty()) { if (state) { int index = ui->forceField->findText(m_recommendedForceField); if (index >= 0) { ui->forceField->setCurrentIndex(index); } } } ui->forceField->setEnabled(!state); QSettings().setValue("openbabel/optimizeGeometry/autoDetect", state); } void OBForceFieldDialog::updateRecommendedForceField() { if (m_recommendedForceField.isEmpty()) { ui->useRecommended->hide(); ui->forceField->setEnabled(true); } else { ui->useRecommended->setText( tr("Autodetect (%1)").arg(m_recommendedForceField)); // Force the combo box to update if needed: useRecommendedForceFieldToggled(ui->useRecommended->isChecked()); ui->useRecommended->show(); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obforcefielddialog.h000066400000000000000000000065341516317240700312350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBFORCEFIELDDIALOG_H #define AVOGADRO_QTPLUGINS_OBFORCEFIELDDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class OBForceFieldDialog; } /** * @brief The OBForceFieldDialog class is used to prompt the user for parameters * to be used in an OpenBabel force field optimization. */ class OBForceFieldDialog : public QDialog { Q_OBJECT public: /** * Construct a new dialog using the forcefields in @a forceFields. */ explicit OBForceFieldDialog(const QStringList& forceFields, QWidget* parent_ = nullptr); ~OBForceFieldDialog() override; /** * Construct a new dialog using the forcefields in @a forceFields and * initialize the options to those in @a startingOptions (see setOptions). * If the user chooses the recommended force field, @a recommendedForceField_ * will be set. This is useful for preferring a specific force field for a * particular molecule. * When the user closes the dialog, the options they selected are returned. If * the user cancels the dialog, an empty list is returned. */ static QStringList prompt(QWidget* parent_, const QStringList& forceFields, const QStringList& startingOptions, const QString& recommendedForceField_ = QString()); /** * Get/set the options displayed in the dialog. The option format is a list of * strings that may be used directly as arguments in a call to * QProcess::start, with the exception of the `-i`, * `-o` and `--minimize` options, which are not used by this * class. See `obabel -L minimize` for a complete listing of available * options. * * Each option (and argument, if applicable) must be a separate string in the * list. For instance, to refer to the options in the call: @code obabel -icml -ocml --minimize --log --crit 1e-05 --ff Ghemical --sd" @endcode * * The option list should contain, in order: * - `--crit` * - `1e-05` * - `--ff` * - `Ghemical` * - `--sd` * * @note The `--log` option is always added in the list returned by * options, and is ignored by the setOptions method. * * @{ */ QStringList options() const; void setOptions(const QStringList& opts); /**@}*/ /** * Get/set the recommended forcefield for the current molecule. If an empty * string, the user will not be shown an option to use the recommended * forcefield. * If the string is non-empty (and in the forceFields list passed in the * constructor), the user will have the option of setting the forcefield to * this value. * * @{ */ QString recommendedForceField() const { return m_recommendedForceField; } void setRecommendedForceField(const QString& rff); /**@}*/ private slots: void useRecommendedForceFieldToggled(bool state); private: void updateRecommendedForceField(); Ui::OBForceFieldDialog* ui; QString m_recommendedForceField; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBFORCEFIELDDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obforcefielddialog.ui000066400000000000000000000213041516317240700314130ustar00rootroot00000000000000 Avogadro::QtPlugins::OBForceFieldDialog 0 0 327 388 0 0 Geometry Optimization Parameters QLayout::SetFixedSize Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok Optimization Method Force field: Optimization algorithm: Line search technique: Steepest Descent Conjugate Gradient Simple Newton's Method Autodetect Qt::Horizontal Limit Non-Bonded Interactions true false Van der Waals cutoff distance: Pair update frequency: electrostatic cutoff distance: Å 0.250000000000000 100.000000000000000 0.250000000000000 10.000000000000000 Å 0.250000000000000 100.000000000000000 0.250000000000000 10.000000000000000 steps 1 100 1 10 Convergence Criteria "Energy" convergence: Step limit: units 10^ -10 9 -6 steps 0 100000 250 2500 forceField useRecommended algorithm lineSearch energyConv stepLimit enableCutoffs vdwCutoff eleCutoff pairFreq buttonBox buttonBox accepted() Avogadro::QtPlugins::OBForceFieldDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::OBForceFieldDialog reject() 316 260 286 274 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obprocess.cpp000066400000000000000000000414601516317240700277610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obprocess.h" #include #include #include #include #include #include namespace Avogadro::QtPlugins { OBProcess::OBProcess(QObject* parent_) : QObject(parent_), m_processLocked(false), m_aborted(false), m_process(new QProcess(this)), #if defined(_WIN32) m_obabelExecutable("obabel.exe") #else m_obabelExecutable("obabel") #endif { // Read the AVO_OBABEL_EXECUTABLE env var to optionally override the // executable used for obabel. QByteArray obabelExec = qgetenv("AVO_OBABEL_EXECUTABLE"); if (!obabelExec.isEmpty()) { m_obabelExecutable = obabelExec; } else { // If not overridden, look for an obabel next to the executable. QDir baseDir(QCoreApplication::applicationDirPath()); if (!baseDir.absolutePath().startsWith("/usr/") && QFileInfo(baseDir.absolutePath() + '/' + m_obabelExecutable).exists()) { m_obabelExecutable = baseDir.absolutePath() + '/' + m_obabelExecutable; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); #if defined(_WIN32) env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/data"); #else QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); QStringList filters; filters << "3.*" << "2.*"; QStringList dirs = dir.entryList(filters); if (dirs.size() == 1) { env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/../share/openbabel/" + dirs[0]); } else { qDebug() << "Error, Open Babel data directory not found."; } dir.setPath(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); dirs = dir.entryList(filters); if (dirs.size() == 0) { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/"); } else if (dirs.size() == 1) { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/" + dirs[0]); } else { qDebug() << "Error, Open Babel plugins directory not found."; } #endif m_process->setProcessEnvironment(env); } } } QString OBProcess::version() { QString result; if (!tryLockProcess()) { qWarning() << "OBProcess::version: process already in use."; return result; } executeObabel(QStringList() << "-V"); if (m_process->waitForFinished(500)) result = m_process->readAllStandardOutput().trimmed(); releaseProcess(); return result; } void OBProcess::abort() { m_aborted = true; emit aborted(); } void OBProcess::obError() { qDebug() << "Process encountered an error, and did not execute correctly."; if (m_process) { qDebug() << "\tExit code:" << m_process->exitCode(); qDebug() << "\tExit status:" << m_process->exitStatus(); qDebug() << "\tExit output:" << m_process->readAll(); } } bool OBProcess::queryReadFormats() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryReadFormats: process already in use."; return false; } // Setup options QStringList options; options << "-L" << "formats" << "read"; executeObabel(options, this, SLOT(queryReadFormatsPrepare())); return true; } bool OBProcess::queryWriteFormats() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryWriteFormats: process already in use."; return false; } // Setup options QStringList options; options << "-L" << "formats" << "write"; executeObabel(options, this, SLOT(queryWriteFormatsPrepare())); return true; } void OBProcess::queryReadFormatsPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(\s*([^\s]+)\s+--\s+([^\n]+)\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString extension = match.captured(1); QString description = match.captured(2); result.insertMulti(description, extension); pos = match.capturedEnd(0); } releaseProcess(); emit queryReadFormatsFinished(result); return; } void OBProcess::queryWriteFormatsPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(\s*([^\s]+)\s+--\s+([^\n]+)\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString extension = match.captured(1); QString description = match.captured(2); // skip some formats that we want to ignore if (extension == "png" || extension == "svg" || extension == "paint" || extension == "nul") { pos = match.capturedEnd(0); continue; } result.insertMulti(description, extension); pos = match.capturedEnd(0); } releaseProcess(); emit queryWriteFormatsFinished(result); return; } bool OBProcess::convert(const QByteArray& input, const QString& inFormat, const QString& outFormat, const QStringList& options) { if (!tryLockProcess()) { qWarning() << "OBProcess::convert: process already in use."; return false; } QStringList realOptions; realOptions << QString("-i%1").arg(inFormat) << QString("-o%1").arg(outFormat) << options; executeObabel(realOptions, this, SLOT(convertPrepareOutput()), input); return true; } bool OBProcess::convert(const QString& filename, const QString& inFormat, const QString& outFormat, const QStringList& options) { if (!tryLockProcess()) { qWarning() << "OBProcess::convert: process already in use."; return false; } QStringList realOptions; realOptions << QString("-i%1").arg(inFormat) << filename << QString("-o%1").arg(outFormat) << options; executeObabel(realOptions, this, SLOT(convertPrepareOutput())); return true; } void OBProcess::convertPrepareOutput() { if (m_aborted) { releaseProcess(); return; } // Keep this empty if an error occurs: QByteArray output; // Check for errors. QString errorOutput = QString::fromLatin1(m_process->readAllStandardError()); QRegularExpression errorChecker("\\b0 molecules converted\\b" "|" "obabel: cannot read input format!"); if (!errorOutput.contains(errorChecker)) { if (m_process->exitStatus() == QProcess::NormalExit) output = m_process->readAllStandardOutput(); } /// Print any meaningful warnings @todo This should go to a log at some point. if (!errorOutput.isEmpty() && errorOutput != "1 molecule converted\n") qWarning() << m_obabelExecutable << " stderr:\n" << errorOutput; emit convertFinished(output); releaseProcess(); } bool OBProcess::queryForceFields() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryForceFields(): process already in use."; return false; } QStringList options; options << "-L" << "forcefields"; executeObabel(options, this, SLOT(queryForceFieldsPrepare())); return true; } void OBProcess::queryForceFieldsPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(([^\s]+)\s+(\S[^\n]*[^\n\.]+)\.?\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString key = match.captured(1); QString desc = match.captured(2); result.insertMulti(key, desc); pos = match.capturedEnd(0); } releaseProcess(); emit queryForceFieldsFinished(result); } bool OBProcess::queryCharges() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryCharges(): process already in use."; return false; } QStringList options; options << "-L" << "charges"; executeObabel(options, this, SLOT(queryChargesPrepare())); return true; } void OBProcess::queryChargesPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(([^\s]+)\s+(\S[^\n]*[^\n\.]+)\.?\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString key = match.captured(1); QString desc = match.captured(2); result.insertMulti(key, desc); pos = match.capturedEnd(0); } releaseProcess(); emit queryChargesFinished(result); } bool OBProcess::calculateCharges(const QByteArray& mol, const std::string& format, const std::string& type) { if (!tryLockProcess()) { qWarning() << "OBProcess::calculateCharges(): process already in use."; return false; } QStringList realOptions; if (format == "cjson") { realOptions << "-icjson"; } else { realOptions << "-icml"; } realOptions << "-onul" // ignore the output << "--partialcharge" << type.c_str() << "--print"; // Start the optimization executeObabel(realOptions, this, SLOT(chargesPrepareOutput()), mol); return true; } void OBProcess::chargesPrepareOutput() { if (m_aborted) { releaseProcess(); return; } // Keep this empty if an error occurs: QByteArray output; // Check for errors. QString errorOutput = QString::fromLatin1(m_process->readAllStandardError()); QRegularExpression errorChecker("\\b0 molecules converted\\b" "|" "obabel: cannot read input format!"); if (!errorOutput.contains(errorChecker)) { if (m_process->exitStatus() == QProcess::NormalExit) output = m_process->readAllStandardOutput(); } /// Print any meaningful warnings @todo This should go to a log at some point. if (!errorOutput.isEmpty() && errorOutput != "1 molecule converted\n") qWarning() << m_obabelExecutable << " stderr:\n" << errorOutput; // Convert the output line-by-line to charges Core::Array charges; QTextStream stream(output); QString line; while (stream.readLineInto(&line)) { bool ok; double charge = line.toDouble(&ok); if (!ok) break; charges.push_back(charge); } emit chargesFinished(charges); releaseProcess(); } bool OBProcess::optimizeGeometry(const QByteArray& mol, const QStringList& options, const std::string format) { if (!tryLockProcess()) { qWarning() << "OBProcess::optimizeGeometry(): process already in use."; return false; } QStringList realOptions; if (format == "cjson") { realOptions << "-icjson" << "-ocjson"; } else { realOptions << "-icml" << "-ocml"; } realOptions << "--minimize" << "--noh" // new in OB 3.0.1 << "--log" << options; // We'll need to read the log (printed to stderr) to update progress connect(m_process, SIGNAL(readyReadStandardError()), SLOT(optimizeGeometryReadLog())); // Initialize the log reader ivars m_optimizeGeometryLog.clear(); m_optimizeGeometryMaxSteps = -1; // Start the optimization executeObabel(realOptions, this, SLOT(optimizeGeometryPrepare()), mol); return true; } bool OBProcess::generateConformers(const QByteArray& mol, const QStringList& options, const std::string format) { if (!tryLockProcess()) { qWarning() << "OBProcess::generateConformers(): process already in use."; return false; } QStringList realOptions; if (format == "cjson") { realOptions << "-icjson" << "-ocjson"; } else { realOptions << "-icml" << "-ocml"; } realOptions << "--conformer" << "--noh" // new in OB 3.0.1 << "--log" << options; // We'll need to read the log (printed to stderr) to update progress connect(m_process, SIGNAL(readyReadStandardError()), SLOT(conformerReadLog())); // Initialize the log reader ivars m_optimizeGeometryLog.clear(); m_maxConformers = -1; // Start the optimization executeObabel(realOptions, this, SLOT(conformerPrepare()), mol); return true; } void OBProcess::optimizeGeometryPrepare() { if (m_aborted) { releaseProcess(); return; } QByteArray result = m_process->readAllStandardOutput(); releaseProcess(); emit optimizeGeometryFinished(result); } void OBProcess::conformerPrepare() { if (m_aborted) { releaseProcess(); return; } QByteArray result = m_process->readAllStandardOutput(); releaseProcess(); emit generateConformersFinished(result); } void OBProcess::optimizeGeometryReadLog() { // Append the current stderr to the log m_optimizeGeometryLog += QString::fromLatin1(m_process->readAllStandardError()); // Search for the maximum number of steps if we haven't found it yet if (m_optimizeGeometryMaxSteps < 0) { QRegularExpression maxStepsParser("\nSTEPS = ([0-9]+)\n\n"); QRegularExpressionMatch match; if ((match = maxStepsParser.match(m_optimizeGeometryLog)).hasMatch()) { m_optimizeGeometryMaxSteps = match.captured(1).toInt(); emit optimizeGeometryStatusUpdate(0, m_optimizeGeometryMaxSteps, 0.0, 0.0); } } // Emit the last printed step if (m_optimizeGeometryMaxSteps >= 0) { QRegularExpression lastStepParser( R"(\n\s*([0-9]+)\s+([-0-9.]+)\s+([-0-9.]+)\n)"); QRegularExpressionMatchIterator matchIterator = lastStepParser.globalMatch(m_optimizeGeometryLog); QRegularExpressionMatch lastMatch; while (matchIterator.hasNext()) { lastMatch = matchIterator.next(); // Capture the last match } if (lastMatch.hasMatch()) { int step = lastMatch.captured(1).toInt(); double energy = lastMatch.captured(2).toDouble(); double lastEnergy = lastMatch.captured(3).toDouble(); emit optimizeGeometryStatusUpdate(step, m_optimizeGeometryMaxSteps, energy, lastEnergy); } } } void OBProcess::conformerReadLog() { // Append the current stderr to the log // (we're grabbing the log from the geometry optimization) m_optimizeGeometryLog += QString::fromLatin1(m_process->readAllStandardError()); // Search for the maximum number of steps if we haven't found it yet if (m_optimizeGeometryMaxSteps < 0) { QRegularExpression maxStepsParser("\nSTEPS = ([0-9]+)\n\n"); QRegularExpressionMatch match; if ((match = maxStepsParser.match(m_optimizeGeometryLog)).hasMatch()) { m_optimizeGeometryMaxSteps = match.captured(1).toInt(); emit optimizeGeometryStatusUpdate(0, m_optimizeGeometryMaxSteps, 0.0, 0.0); } } // Emit the last printed step if (m_optimizeGeometryMaxSteps >= 0) { QRegularExpression lastStepParser( R"(\n\s*([0-9]+)\s+([-0-9.]+)\s+([-0-9.]+)\n)"); QRegularExpressionMatch match; if ((match = lastStepParser.match(m_optimizeGeometryLog)).hasMatch()) { int step = match.captured(1).toInt(); double energy = match.captured(2).toDouble(); double lastEnergy = match.captured(3).toDouble(); emit optimizeGeometryStatusUpdate(step, m_optimizeGeometryMaxSteps, energy, lastEnergy); } } } void OBProcess::executeObabel(const QStringList& options, QObject* receiver, const char* slot, const QByteArray& obabelStdin) { // Setup exit handler if (receiver) { connect(m_process, SIGNAL(finished(int)), receiver, slot); connect(m_process, SIGNAL(errorOccurred(QProcess::ProcessError)), receiver, slot); connect(m_process, SIGNAL(errorOccurred(QProcess::ProcessError)), this, SLOT(obError())); } // Start process #ifndef NDEBUG qDebug() << "OBProcess::executeObabel: " "Running" << m_obabelExecutable << options.join(" "); #endif m_process->start(m_obabelExecutable, options); if (!obabelStdin.isNull()) { m_process->write(obabelStdin); m_process->closeWriteChannel(); } } void OBProcess::resetState() { m_aborted = false; m_process->disconnect(this); disconnect(m_process); connect(this, SIGNAL(aborted()), m_process, SLOT(kill())); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/obprocess.h000066400000000000000000000333171516317240700274300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBPROCESS_H #define AVOGADRO_QTPLUGINS_OBPROCESS_H #include #include #include #include class QProcess; namespace Avogadro { namespace QtPlugins { /** * @brief The OBProcess class provides an interface to the `obabel` executable, * which is run in a separate process. * * The `obabel` executable used by this class can be overridden by setting the * AVO_OBABEL_EXECUTABLE environment variable. */ class OBProcess : public QObject { Q_OBJECT public: explicit OBProcess(QObject* parent_ = nullptr); /** * @return The output of obabel -V. */ QString version(); /** * @name Process Management * Methods, slots, and signals used to interact with the OpenBabel process. * @{ */ public: /** * The `obabel` executable used by the process. */ QString obabelExecutable() const { return m_obabelExecutable; } /** * @return True if the process is in use, false otherwise. */ bool inUse() const { return m_processLocked; } public slots: /** * Abort any currently running processes. * * This will cause aborted() to be emitted, but not any of the * operation-specific "finished" signals. */ void abort(); /** * Called when an error in the process occurs. */ void obError(); signals: /** * Emitted when the abort() method has been called. */ void aborted(); // end Process Management doxygen group /**@}*/ /** * @name File Format Support * Query the obabel executable for supported file formats. * @{ */ public slots: /** * Request a list of all supported input formats from obabel. * * After calling this method, the queryReadFormatsFinished signal will be * emitted. This method executes * * `obabel -L formats read` * * and parses the output into a map (keys are format descriptions, values are * format extensions). * * If an error occurs, queryReadFormatsFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryReadFormats(); /** * Request a list of all supported output formats from obabel. * * After calling this method, the queryWriteFormatsFinished signal will be * emitted. This method executes * * `obabel -L formats write` * * and parses the output into a map (keys are format descriptions, values are * format extensions). * * If an error occurs, queryWriteFormatsFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryWriteFormats(); signals: /** * Triggered when the process started by queryReadFormats() completes. * @param readFormats The input file formats that OpenBabel understands. Keys * are non-translated (english), human-readable descriptions of the formats, * and the values are the corresponding file extensions. * * @note readFormats will usually contain more than one extensions per format, * so accessing the values with QMap::values() (instead of QMap::value()) is * required. * * If an error occurs, readFormats will be empty. */ void queryReadFormatsFinished(QMultiMap readFormats); /** * Triggered when the process started by queryWriteFormats() completes. * @param writeFormats The file formats that OpenBabel can write. Keys * are non-translated (english), human-readable descriptions of the formats, * and the values are the corresponding file extensions. * * @note writeFormats will usually contain more than one extensions per * format, so accessing the values with QMap::values() (instead of * QMap::value()) is required. * * If an error occurs, writeFormats will be empty. */ void queryWriteFormatsFinished(QMultiMap writeFormats); private slots: void queryReadFormatsPrepare(); void queryWriteFormatsPrepare(); // end File Format Support doxygen group /**@}*/ /** * @name Format Operations * Operations that manipulate molecular representations. * @{ */ public slots: /** * Convert the text representation in @a input from @a inFormat to * @a outFormat. * * @param input Text representation of molecule in @a inFormat format. * @param inFormat File extension corresponding to input format * (see `obabel -L formats`). * @param outFormat File extension corresponding to output format. * @param options Additional options passed to obabel. * * After calling this method, the convertFinished signal will be emitted to * indicate return status along with the requested representation of the * molecule. * * The conversion is performed as: * `obabel -i -o < input > output` * * @return True if the process started successfully, false otherwise. */ bool convert(const QByteArray& input, const QString& inFormat, const QString& outFormat, const QStringList& options = QStringList()); /** * Convert the file @a filename from @a inFormat to @a outFormat. * * @param filename File containing molecule representation in @a inFormat * format. * @param inFormat File extension corresponding to input format * (see `obabel -L formats`). * @param outFormat File extension corresponding to output format. * @param options Additional options passed to obabel. * * After calling this method, the convertFinished signal will be emitted to * indicate return status along with the requested representation of the * molecule. * * The conversion is performed as: * `obabel -i -o > output` * * @return True if the process started successfully, false otherwise. */ bool convert(const QString& filename, const QString& inFormat, const QString& outFormat, const QStringList& options = QStringList()); signals: /** * Emitted after a call to convert() finishes. * @param output The molecule in CML format, or an empty QByteArray if an e * error occurred. */ void convertFinished(const QByteArray& output); private slots: void convertPrepareOutput(); // end Format Operations doxygen group /**@}*/ /** * @name Force Fields * Methods, signals, and slots pertaining to force fields (e.g. geometry * optimizations). * @{ */ public slots: /** * Request a list of all supported force fields from obabel. * * After calling this method, the queryForceFieldsFinished signal will be * emitted. This method executes * * `obabel -L forcefields` * * and parses the output. * * If an error occurs, queryForceFieldsFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryForceFields(); signals: /** * Triggered when the process started by queryForceFields() completes. * @param forceFields The force fields supported by OpenBabel. Keys * are unique identifiers for the force fields, and the values are * non-translated (english), human-readable descriptions. * * If an error occurs, forceFields will be empty. */ void queryForceFieldsFinished(const QMultiMap& forceFields); private slots: void queryForceFieldsPrepare(); public slots: /** * Request that obabel optimize a molecular structure using its minimize * operation. * @param cml A Chemical Markup Language representation of the molecule. * @param options Options for the optimization. See OBForceFieldDialog::prompt * for an easy method way to get the options from the user. * * After calling this method, the optimizeGeometryStatusUpdate signal will be * emitted periodically to indicate the optimization's progress. Once the * optimization finishes, optimizeGeometryFinished will be emitted with the * result of the optimization. * * The optimization is started with, e.g. * `obabel -icml -ocml --minimize ` * * The standard output is recorded and returned by optimizeGeometryFinished. * If @a options contains `--log`, the obabel process's standard error stream * is monitored for the data used in the optimizeGeometryStatusUpdate progress * updates. * * @return True if the process started successfully, false otherwise. */ bool optimizeGeometry(const QByteArray& cml, const QStringList& options, std::string format = "cml"); bool generateConformers(const QByteArray& cml, const QStringList& options, std::string format = "cml"); signals: /** * Emitted with the standard output of the process when it finishes. * If an error occurs, the argument will not be valid CML. */ void optimizeGeometryFinished(const QByteArray& cml); void generateConformersFinished(const QByteArray& cml); /** * Emitted every 10 steps of the optimization to indicate the current * progress. * @param step The current step of the minimization algorithm. * @param maxSteps The maximum number of steps before the minimization is * aborted. * @param currentEnergy The energy of the molecule at the current step. * @param lastEnergy The energy of the molecule at the previous minimization * step. */ void optimizeGeometryStatusUpdate(int step, int maxSteps, double currentEnergy, double lastEnergy); void conformerStatusUpdate(int step, int maxSteps, double currentEnergy, double lastEnergy); private slots: void optimizeGeometryPrepare(); void optimizeGeometryReadLog(); void conformerPrepare(); void conformerReadLog(); // end Force Fields doxygen group /**@}*/ /** * @name Charge Models * Methods, signals, and slots pertaining to partial charges * @{ */ public slots: /** * Request a list of all supported charge models from obabel. * * After calling this method, the queryChargesFinished signal will be * emitted. This method executes * * `obabel -L charges` * * and parses the output. * * If an error occurs, queryChargesFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryCharges(); signals: /** * Triggered when the process started by queryCharges() completes. * @param charges The charge models supported by OpenBabel. Keys * are unique identifiers for the charge models, and the values are * non-translated (english), human-readable descriptions. * * If an error occurs, charges will be empty. */ void queryChargesFinished(const QMultiMap& charges); private slots: void queryChargesPrepare(); public slots: /** * Calculate the partial charges on the molecule @a input using @a type * * @param input String containing molecule representation in @a inFormat * format. * @param inFormat File extension corresponding to input format * (see `obabel -L formats`). * @param type The charge model to use (e.g., MMFF94, gasteiger, etc.) * * After calling this method, the chargesFinished signal will be emitted to * indicate return status along with the charges as text. * * The process is performed as: * `obabel -i -onul --partialcharge --print < input > * output` * * @return True if the process started successfully, false otherwise. */ bool calculateCharges(const QByteArray& input, const std::string& inFormat = "cml", const std::string& type = "mmff94"); private slots: void chargesPrepareOutput(); signals: /** * Emitted after a call to calculateCharges() finishes. * @param charges the set of partial charges */ void chargesFinished(const Core::Array& charges); // end Charge Models doxygen group /**@}*/ private: /** * Internal method for launching the obabel executable. * @param options List of options to pass to QProcess::start * @param receiver A QObject subclass instance that has @a slot as a member. * @param slot The slot to call when completed. Must have no arguments. * @param obabelStdin Standard input for the obabel process (optional). * * Call this method like so: @code QStringList options; executeObabel(options, this, SLOT(mySlot())); @endcode * * @a slot will be connected to QProcess::finished(int) and * QProcess::error(QProcess::ProcessError) with @a receiver as receiver and * @a m_process as sender. @a m_process is then started using * m_obabelExecutable and options as arguments. If provided, the obabelStdin * data will be written to the obabel stdin channel. */ void executeObabel(const QStringList& options, QObject* receiver = nullptr, const char* slot = nullptr, const QByteArray& obabelStdin = QByteArray()); void resetState(); // Not thread safe -- just uses a bool. bool tryLockProcess() { if (m_processLocked) return false; m_processLocked = true; resetState(); return true; } void releaseProcess() { m_processLocked = false; } bool m_processLocked; bool m_aborted; QProcess* m_process; QString m_obabelExecutable; // Optimize geometry ivars: int m_optimizeGeometryMaxSteps; unsigned m_maxConformers; QString m_optimizeGeometryLog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBPROCESS_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/openbabel.cpp000066400000000000000000001065571516317240700277220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "openbabel.h" #include "conformersearchdialog.h" #include "obcharges.h" #include "obfileformat.h" #include "obforcefielddialog.h" #include "obprocess.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; using namespace std::string_literals; namespace Avogadro::QtPlugins { OpenBabel::OpenBabel(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_process(new OBProcess(this)), m_readFormatsPending(true), m_writeFormatsPending(true), m_defaultFormat("cml"), m_progress(nullptr), m_conformerSearchDialog(nullptr) { auto* action = new QAction(this); action->setEnabled(true); action->setText(tr("Optimize Geometry")); connect(action, SIGNAL(triggered()), SLOT(onOptimizeGeometry())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Configure Force Field…")); connect(action, SIGNAL(triggered()), SLOT(onConfigureGeometryOptimization())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Conformer Search…")); connect(action, SIGNAL(triggered()), SLOT(onConfigureConformerSearch())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Perceive Bonds")); connect(action, SIGNAL(triggered()), SLOT(onPerceiveBonds())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Add Hydrogens")); connect(action, SIGNAL(triggered()), SLOT(onAddHydrogens())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Add Hydrogens for pH…")); connect(action, SIGNAL(triggered()), SLOT(onAddHydrogensPh())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Remove Hydrogens")); connect(action, SIGNAL(triggered()), SLOT(onRemoveHydrogens())); m_actions.push_back(action); refreshReadFormats(); refreshWriteFormats(); refreshForceFields(); refreshCharges(); QString info = openBabelInfo(); if (info.isEmpty()) { qWarning() << tr("%1 not found! Disabling Open Babel plugin actions.") .arg(OBProcess().obabelExecutable()); foreach (QAction* a, m_actions) a->setEnabled(false); } else { qDebug() << OBProcess().obabelExecutable() << " found: " << info; } } OpenBabel::~OpenBabel() {} QList OpenBabel::actions() const { return m_actions; } QStringList OpenBabel::menuPath(QAction*) const { return QStringList() << tr("&Extensions") << tr("&Open Babel"); } QList OpenBabel::fileFormats() const { // Return empty list if not ready yet, and print a warning. if (m_readFormatsPending || m_writeFormatsPending) { qDebug() << tr("The Open Babel file formats are not ready to be added."); return QList(); } QList result; std::string mapDesc; std::string fname; std::string fidentifier; std::string fdescription; std::string fspecificationUrl( "https://openbabel.org/docs/FileFormats/Overview.html"); // http://openbabel.org/wiki/Category:Formats std::vector fexts; std::vector fmime; // Simple lambda to replace toSet in QList auto toSet = [&](const QList& list) { return QSet(list.begin(), list.end()); }; QSet formatDescriptions; formatDescriptions.unite(toSet(m_readFormats.uniqueKeys())); formatDescriptions.unite(toSet(m_writeFormats.uniqueKeys())); QSet formatExtensions; // These can only be read directly from file: QList multifileFormatDescriptions; multifileFormatDescriptions << "VASP format"; multifileFormatDescriptions << "Gaussian Output"; // Issue #571 multifileFormatDescriptions << "Generic Output file format"; // #571 and 827 foreach (const QString& qdesc, formatDescriptions) { mapDesc = qdesc.toStdString(); fname = mapDesc; fidentifier = "OpenBabel: "s + mapDesc; fdescription = mapDesc; fexts.clear(); fmime.clear(); bool fileOnly = multifileFormatDescriptions.contains(qdesc); formatExtensions.clear(); Io::FileFormat::Operations rw = Io::FileFormat::None; if (m_readFormats.contains(qdesc)) { formatExtensions.unite(toSet(m_readFormats.values(qdesc))); rw |= Io::FileFormat::Read; } if (m_writeFormats.contains(qdesc)) { formatExtensions.unite(toSet(m_writeFormats.values(qdesc))); rw |= Io::FileFormat::Write; } foreach (const QString& ext, formatExtensions) fexts.push_back(ext.toStdString()); auto* fmt = new OBFileFormat(fname, fidentifier, fdescription, fspecificationUrl, fexts, fmime, m_defaultFormat, fileOnly); fmt->setReadWriteFlags(rw); result.append(fmt); } qDebug() << "Open Babel formats ready: " << result.size(); return result; } QString OpenBabel::openBabelInfo() const { OBProcess proc; QString version = proc.version(); if (version.isEmpty()) return QString(); return QString("%1: %2").arg(proc.obabelExecutable(), version); } void OpenBabel::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) m_molecule = mol; } bool OpenBabel::readMolecule(QtGui::Molecule& mol) { m_progress->setLabelText(tr("Loading molecule from Open Babel…")); bool result = false; if (m_moleculeQueue.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An internal error occurred: " "OpenBabel::readMolecule called, but no obabel " "output is available to parse!"), QMessageBox::Ok); } else { QByteArray output = m_moleculeQueue.takeFirst(); // Empty output means openbabel crashed, etc. if (output.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while running Open Babel " "(%1).") .arg(m_process->obabelExecutable()), QMessageBox::Ok); } else { result = Io::FileFormatManager::instance().readString( mol, output.constData(), m_defaultFormat); if (!result) { qWarning() << "Error parsing OpenBabel output:\n" << output; QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error parsing openbabel output."), QMessageBox::Ok); } } } m_progress->reset(); return result; } void OpenBabel::refreshReadFormats() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryReadFormatsFinished(QMultiMap)), SLOT(handleReadFormatUpdate(QMultiMap))); proc->queryReadFormats(); } void OpenBabel::handleReadFormatUpdate(const QMultiMap& fmts) { m_readFormatsPending = false; auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_readFormats = fmts; // Emit a signal indicating the file formats are ready if read and write // formats have both returned their results. if (!m_readFormatsPending && !m_writeFormatsPending) { // Update the default format if cjson is available if (m_readFormats.contains("Chemical JSON") && m_writeFormats.contains("Chemical JSON")) { m_defaultFormat = "cjson"; qDebug() << "Setting default format to " << m_defaultFormat.c_str(); } emit fileFormatsReady(); } } void OpenBabel::refreshWriteFormats() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryWriteFormatsFinished(QMultiMap)), SLOT(handleWriteFormatUpdate(QMultiMap))); proc->queryWriteFormats(); } void OpenBabel::handleWriteFormatUpdate(const QMultiMap& fmts) { m_writeFormatsPending = false; auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_writeFormats = fmts; // Emit a signal indicating the file formats are ready if read and write // formats have both returned their results. if (!m_readFormatsPending && !m_writeFormatsPending) { emit fileFormatsReady(); // Update the default format if cjson is available if (m_readFormats.contains("Chemical JSON") && m_writeFormats.contains("Chemical JSON")) { m_defaultFormat = "cjson"; qDebug() << "Setting default format to cjson."; } } } void OpenBabel::refreshForceFields() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryForceFieldsFinished(QMultiMap)), SLOT(handleForceFieldsUpdate(QMultiMap))); proc->queryForceFields(); } void OpenBabel::handleForceFieldsUpdate( const QMultiMap& ffMap) { auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_forceFields = ffMap; } void OpenBabel::refreshCharges() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryChargesFinished(QMultiMap)), SLOT(handleChargesUpdate(QMultiMap))); proc->queryCharges(); } void OpenBabel::handleChargesUpdate( const QMultiMap& chargeMap) { auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_charges = chargeMap; // register the charge models foreach (const QString& key, m_charges.keys()) { // we're only picking a few select models for now if (key == "eem" || key == "eem2015ba" || key == "eqeq" || key == "gasteiger" || key == "mmff94") { auto* model = new OBCharges(key.toStdString()); Calc::ChargeManager::instance().registerModel(model); } } } void OpenBabel::onConfigureGeometryOptimization() { // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } QSettings settings; QStringList options = settings.value("openbabel/optimizeGeometry/lastOptions").toStringList(); options = OBForceFieldDialog::prompt(qobject_cast(parent()), m_forceFields.keys(), options, autoDetectForceField()); // User cancel if (options.isEmpty()) return; settings.setValue("openbabel/optimizeGeometry/lastOptions", options); } void OpenBabel::onConfigureConformerSearch() { // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } QSettings settings; QStringList options = settings.value("openbabel/conformerSearch/lastOptions").toStringList(); if (m_conformerSearchDialog == nullptr) { m_conformerSearchDialog = new ConformerSearchDialog(qobject_cast(parent())); connect(m_conformerSearchDialog, SIGNAL(accepted()), this, SLOT(onGenerateConformers())); } // todo set options from last run m_conformerSearchDialog->show(); m_conformerSearchDialog->raise(); m_conformerSearchDialog->activateWindow(); } void OpenBabel::onOptimizeGeometry() { if (!m_molecule || m_molecule->atomCount() == 0) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Molecule invalid. Cannot optimize geometry."), QMessageBox::Ok); return; } // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot optimize geometry with Open Babel.")); return; } QSettings settings; QStringList options = settings.value("openbabel/optimizeGeometry/lastOptions").toStringList(); bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); if (autoDetect) { QString ff = autoDetectForceField(); int ffIndex = options.indexOf("--ff"); if (ffIndex >= 0) { // Shouldn't happen, but just to be safe... if (ffIndex + 1 == options.size()) options << ff; else options[ffIndex + 1] = ff; } else { options << "--ff" << ff; } } // Setup progress dialog initializeProgressDialog(tr("Optimizing Geometry (Open Babel)"), tr("Generating…"), 0, 0, 0); // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(optimizeGeometryStatusUpdate(int, int, double, double)), SLOT(onOptimizeGeometryStatusUpdate(int, int, double, double))); connect(m_process, SIGNAL(optimizeGeometryFinished(QByteArray)), SLOT(onOptimizeGeometryFinished(QByteArray))); // Generate CML std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical( qobject_cast(parent()), tr("Error"), tr("An internal error occurred while generating an " "Open Babel representation of the current molecule."), QMessageBox::Ok); return; } m_progress->setLabelText(tr("Starting %1…", "arg is an executable file.") .arg(m_process->obabelExecutable())); // Run obabel m_process->optimizeGeometry(QByteArray(mol.c_str()), options, m_defaultFormat); } void OpenBabel::onOptimizeGeometryStatusUpdate(int step, int numSteps, double energy, double lastEnergy) { QString status; if (step == 0) { status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(fabs(energy) > 1e-10 ? QString::number(energy, 'g', 5) : QString("(pending)")) .arg("(pending)"); } else { double dE = energy - lastEnergy; status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(energy, 0, 'g', 5) .arg(dE, 0, 'g', 5); } m_progress->setRange(0, numSteps); m_progress->setValue(step); m_progress->setLabelText(status); } void OpenBabel::onOptimizeGeometryFinished(const QByteArray& output) { m_progress->setLabelText(tr("Updating molecule…")); // CML --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, output.constData(), m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); qDebug() << "Open Babel:" << output; return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Check that the atom count hasn't changed: if (mol.atomCount() != m_molecule->atomCount()) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Number of atoms in obabel output (%1) does not " "match the number of atoms in the original " "molecule (%2).") .arg(mol.atomCount()) .arg(m_molecule->atomCount()), QMessageBox::Ok); return; } m_molecule->undoMolecule()->setAtomPositions3d(mol.atomPositions3d(), tr("Optimize Geometry")); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Modified); m_progress->reset(); } void OpenBabel::onGenerateConformers() { if (!m_molecule || m_molecule->atomCount() == 0) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Molecule invalid. Cannot generate conformers."), QMessageBox::Ok); return; } // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot generate conformers with Open Babel.")); return; } if (m_conformerSearchDialog == nullptr) { return; // should't happen } QSettings settings; QStringList options = m_conformerSearchDialog->options(); QStringList ffOptions = settings.value("openbabel/optimizeGeometry/lastOptions").toStringList(); bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); if (autoDetect) { QString ff = autoDetectForceField(); int ffIndex = ffOptions.indexOf("--ff"); if (ffIndex >= 0) { // Shouldn't happen, but just to be safe... if (ffIndex + 1 == ffOptions.size()) ffOptions << ff; else ffOptions[ffIndex + 1] = ff; } else { ffOptions << "--ff" << ff; } } options << ffOptions; // Setup progress dialog initializeProgressDialog(tr("Generating Conformers (Open Babel)"), tr("Generating…"), 0, 0, 0); // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(conformerStatusUpdate(int, int, double, double)), SLOT(onConformerStatusUpdate(int, int, double, double))); connect(m_process, SIGNAL(generateConformersFinished(QByteArray)), SLOT(onGenerateConformersFinished(QByteArray))); std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical( qobject_cast(parent()), tr("Error"), tr("An internal error occurred while generating an " "Open Babel representation of the current molecule."), QMessageBox::Ok); return; } m_progress->setLabelText(tr("Starting %1…", "arg is an executable file.") .arg(m_process->obabelExecutable())); // Run obabel m_process->generateConformers(QByteArray(mol.c_str()), options, m_defaultFormat); } void OpenBabel::onConformerStatusUpdate(int step, int numSteps, double energy, double lastEnergy) { QString status; if (step == 0) { status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(fabs(energy) > 1e-10 ? QString::number(energy, 'g', 5) : QString("(pending)")) .arg("(pending)"); } else { double dE = energy - lastEnergy; status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(energy, 0, 'g', 5) .arg(dE, 0, 'g', 5); } m_progress->setRange(0, numSteps); m_progress->setValue(step); m_progress->setLabelText(status); } void OpenBabel::onGenerateConformersFinished(const QByteArray& output) { m_progress->setLabelText(tr("Updating molecule…")); // output --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, output.constData(), m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); qDebug() << "Open Babel:" << output; return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Check that the atom count hasn't changed: if (mol.atomCount() != m_molecule->atomCount()) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Number of atoms in obabel output (%1) does not " "match the number of atoms in the original " "molecule (%2).") .arg(mol.atomCount()) .arg(m_molecule->atomCount()), QMessageBox::Ok); return; } m_molecule->undoMolecule()->setAtomPositions3d(mol.atomPositions3d(), tr("Generate Conformers")); // copy the coordinate sets m_molecule->clearCoordinate3d(); for (size_t i = 0; i < mol.coordinate3dCount(); ++i) m_molecule->setCoordinate3d(mol.coordinate3d(i), static_cast(i)); // energy data too // TODO: check if other properties are needed m_molecule->setData("energies", mol.data("energies")); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Modified); m_progress->reset(); } void OpenBabel::onPerceiveBonds() { // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot open file with Open Babel.")); return; } if (!m_molecule || m_molecule->atomCount() < 2) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Invalid molecule: Cannot perceive bonds."), QMessageBox::Ok); return; } // Setup progress dialog initializeProgressDialog(tr("Perceiving Bonds (Open Babel)"), tr("Generating XYZ representation…"), 0, 0, 0); // Generate XYZ std::string xyz; if (!Io::FileFormatManager::instance().writeString(*m_molecule, xyz, "xyz")) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating XYZ string."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onPerceiveBondsFinished(QByteArray))); m_progress->setLabelText(tr("Converting XYZ to Open Babel with %1…") .arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(xyz.c_str(), xyz.size()), "xyz", m_defaultFormat.c_str()); } void OpenBabel::onPerceiveBondsFinished(const QByteArray& output) { m_progress->setLabelText(tr("Updating molecule from Open Babel…")); // CML --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, output.constData(), m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Check that the atom count hasn't changed: if (mol.atomCount() != m_molecule->atomCount()) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Number of atoms in obabel output (%1) does not " "match the number of atoms in the original " "molecule (%2).") .arg(mol.atomCount()) .arg(m_molecule->atomCount()), QMessageBox::Ok); return; } // Update the undo stack Molecule newMolecule = *m_molecule; newMolecule.clearBonds(); for (size_t i = 0; i < mol.bondCount(); ++i) { Avogadro::Core::Bond bond = mol.bond(i); newMolecule.addBond(newMolecule.atom(bond.atom1().index()), newMolecule.atom(bond.atom2().index()), bond.order()); } Molecule::MoleculeChanges changes = Molecule::Bonds | Molecule::Added | Molecule::Removed | Molecule::Modified; m_molecule->undoMolecule()->modifyMolecule(newMolecule, changes, "Perceive Bonds"); m_progress->reset(); } void OpenBabel::onAddHydrogens() { if (!m_molecule || m_molecule->atomCount() == 0) return; // Nothing to do. // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot add hydrogens with Open Babel.")); return; } // Setup progress dialog initializeProgressDialog(tr("Adding Hydrogens (Open Babel)"), tr("Generating Open Babel input…"), 0, 0, 0); // Generate MDL std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating Open Babel input."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onHydrogenOperationFinished(QByteArray))); m_progress->setLabelText( tr("Running %1…").arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(mol.c_str(), mol.size()), m_defaultFormat.c_str(), m_defaultFormat.c_str(), QStringList() << "-h"); } void OpenBabel::onAddHydrogensPh() { if (!m_molecule || m_molecule->atomCount() == 0) return; // Nothing to do. // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot add hydrogens with Open Babel.")); return; } // Prompt for pH bool ok = false; double pH = QInputDialog::getDouble(qobject_cast(parent()), tr("Add hydrogens for pH"), tr("pH:"), 7.4, 0, 14, 2, &ok); if (!ok) // user cancel return; // Setup progress dialog initializeProgressDialog(tr("Adding Hydrogens (Open Babel)"), tr("Generating obabel input…"), 0, 0, 0); // Generate MDL std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating Open Babel input."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onHydrogenOperationFinished(QByteArray))); m_progress->setLabelText( tr("Running %1…").arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(mol.c_str(), mol.size()), m_defaultFormat.c_str(), m_defaultFormat.c_str(), QStringList() << "-p" << QString::number(pH)); } void OpenBabel::onRemoveHydrogens() { if (!m_molecule || m_molecule->atomCount() == 0) return; // Nothing to do. // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot remove hydrogens with Open Babel.")); return; } // Setup progress dialog initializeProgressDialog(tr("Removing Hydrogens (Open Babel)"), tr("Generating obabel input…"), 0, 0, 0); // Generate MDL std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating Open Babel data."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onHydrogenOperationFinished(QByteArray))); m_progress->setLabelText( tr("Running %1…").arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(mol.c_str(), mol.size()), m_defaultFormat.c_str(), m_defaultFormat.c_str(), QStringList() << "-d"); } void OpenBabel::onHydrogenOperationFinished(const QByteArray& mdl) { m_progress->setLabelText(tr("Reading obabel output…")); // MDL --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, mdl.constData(), m_defaultFormat)) { m_progress->reset(); qWarning() << "Open Babel error: " << mdl; QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); qDebug() << "Open Babel:" << mdl; return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Update the undo stack Molecule newMolecule; for (Index i = 0; i < mol.atomCount(); ++i) { Core::Atom atom = mol.atom(i); newMolecule.addAtom(atom.atomicNumber()).setPosition3d(atom.position3d()); } for (Index i = 0; i < mol.bondCount(); ++i) { Core::Bond bond = mol.bond(i); newMolecule.addBond(newMolecule.atom(bond.atom1().index()), newMolecule.atom(bond.atom2().index()), bond.order()); } Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed | Molecule::Modified; // If the number of atoms is greater, we added hydrogens. Else, we removed // them! QString undoString = "Add Hydrogens"; if (m_molecule->atomCount() > newMolecule.atomCount()) undoString = "Remove Hydrogens"; m_molecule->undoMolecule()->modifyMolecule(newMolecule, changes, undoString); m_progress->reset(); } void OpenBabel::initializeProgressDialog(const QString& title, const QString& label, int min, int max, int value, bool showDialog) { if (!m_progress) m_progress = new QProgressDialog(qobject_cast(parent())); m_progress->setWindowTitle(title); m_progress->setLabelText(label); m_progress->setRange(min, max); m_progress->setValue(value); m_progress->setMinimumDuration(0); if (showDialog) m_progress->show(); } void OpenBabel::showProcessInUseError(const QString& title) const { QMessageBox::critical(qobject_cast(parent()), title, tr("Already running Open Babel. Wait for the other " "operation to complete and try again."), QMessageBox::Ok); } QString OpenBabel::autoDetectForceField() const { // Guess forcefield based on molecule. Preference is GAFF, MMFF94, then UFF. // See discussion at // http://forums.openbabel.org/Heuristic-for-selecting-best-forcefield-td4655917.html QString formula = QString::fromStdString(m_molecule->formula()); QStringList elementTypes = formula.split(QRegularExpression("\\d+"), Qt::SkipEmptyParts); bool mmff94Valid = true; bool gaffValid = true; QStringList::const_iterator eleIter = elementTypes.constBegin(); while (eleIter != elementTypes.constEnd() && (mmff94Valid || gaffValid)) { // These are supported by GAFF and MMFF94s if (*eleIter != "C" && *eleIter != "H" && *eleIter != "F" && *eleIter != "Cl" && *eleIter != "Br" && *eleIter != "I" && *eleIter != "N" && *eleIter != "O" && *eleIter != "P" && *eleIter != "S") { gaffValid = false; mmff94Valid = false; // MMFF94 supports isolated metal ions but it's safer to use UFF // Fixes #1324 } ++eleIter; } QStringList ffs = m_forceFields.keys(); QString result; if (gaffValid && ffs.contains("GAFF")) result = "GAFF"; else if (mmff94Valid && ffs.contains("MMFF94")) result = "MMFF94"; // MMFF94 handles nitrogens more correctly than MMFF94s, but this // can be used in a pinch. else if (mmff94Valid && ffs.contains("MMFF94s")) result = "MMFF94s"; else if (ffs.contains("UFF")) result = "UFF"; return result; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openbabel/openbabel.h000066400000000000000000000066321516317240700273600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OPENBABEL_H #define AVOGADRO_QTPLUGINS_OPENBABEL_H #include "conformersearchdialog.h" #include #include class QAction; class QProgressDialog; namespace Avogadro { namespace QtPlugins { class OBProcess; /** * @brief The OpenBabel class implements the ExtensionPlugin interface to * expose some OpenBabel functionality. * * @todo The readMolecule method will need to be updated if we allow * multimolecule files to load with the Io::CmlReader. */ class OpenBabel : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit OpenBabel(QObject* parent = nullptr); ~OpenBabel() override; QString name() const override { return tr("OpenBabel"); } QString description() const override { return tr("Interact with OpenBabel utilities."); } QList actions() const override; QStringList menuPath(QAction*) const override; QList fileFormats() const override; QString openBabelInfo() const; public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void refreshReadFormats(); void handleReadFormatUpdate(const QMultiMap& fmts); void refreshWriteFormats(); void handleWriteFormatUpdate(const QMultiMap& fmts); void refreshForceFields(); void handleForceFieldsUpdate(const QMultiMap& ffMap); void refreshCharges(); void handleChargesUpdate(const QMultiMap& chargeMap); void onConfigureGeometryOptimization(); void onConfigureConformerSearch(); void onOptimizeGeometry(); void onOptimizeGeometryStatusUpdate(int step, int numSteps, double energy, double lastEnergy); void onOptimizeGeometryFinished(const QByteArray& output); void onGenerateConformers(); void onConformerStatusUpdate(int step, int numSteps, double energy, double lastEnergy); void onGenerateConformersFinished(const QByteArray& output); void onPerceiveBonds(); void onPerceiveBondsFinished(const QByteArray& output); void onAddHydrogens(); void onAddHydrogensPh(); void onRemoveHydrogens(); void onHydrogenOperationFinished(const QByteArray& cml); private: void initializeProgressDialog(const QString& title, const QString& label, int min, int max, int value, bool showDialog = true); void showProcessInUseError(const QString& title) const; QString autoDetectForceField() const; QtGui::Molecule* m_molecule; OBProcess* m_process; QList m_actions; QList m_moleculeQueue; bool m_readFormatsPending; bool m_writeFormatsPending; QMultiMap m_readFormats; QMultiMap m_writeFormats; QMultiMap m_forceFields; QMultiMap m_charges; std::string m_defaultFormat; QProgressDialog* m_progress; ConformerSearchDialog* m_conformerSearchDialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OPENBABEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/000077500000000000000000000000001516317240700256755ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/CMakeLists.txt000066400000000000000000000004221516317240700304330ustar00rootroot00000000000000# Extension set(openmminput_srcs openmminputdialog.cpp openmminput.cpp ) avogadro_plugin(OpenMMInput "OpenMM input script generation" ExtensionPlugin openmminput.h OpenMMInput "${openmminput_srcs}" openmminputdialog.ui ) target_link_libraries(OpenMMInput) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/openmminput.cpp000066400000000000000000000042251516317240700307570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "openmminput.h" #include "openmminputdialog.h" #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { OpenMMInput::OpenMMInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&OpenMM Script…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } OpenMMInput::~OpenMMInput() {} QList OpenMMInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList OpenMMInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void OpenMMInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } bool OpenMMInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void OpenMMInput::menuActivated() { if (!m_dialog) { m_dialog = new OpenMMInputDialog(qobject_cast(parent())); } m_dialog->setMolecule(m_molecule); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace QtPlugins } // namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/openmminput.h000066400000000000000000000027661516317240700304340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OPENMMINPUT_H #define AVOGADRO_QTPLUGINS_OPENMMINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class OpenMMInputDialog; class OpenMMInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit OpenMMInput(QObject* parent = nullptr); ~OpenMMInput() override; QString name() const override { return tr("OpenMM input"); } QString description() const override { return tr("Generate input for OpenMM."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ // void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; OpenMMInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OPENMMINPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/openmminputdialog.cpp000066400000000000000000001173651516317240700321510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "openmminputdialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { OpenMMInputDialog::OpenMMInputDialog(QWidget* parent, Qt::WindowFlags flag) : QDialog(parent, flag), m_molecule(nullptr), m_forceFieldType(amber99sbildn), m_title("Title"), m_savePath(""), m_waterModelType(tip3p), m_nonBondedType(PME), m_constraintType(HBonds), m_integratorType(Langevin), m_barostatType(NoBarostat), m_deviceIndex(1), m_openclPlatformIndex(1), m_rigidWater(0), m_temperature(298.15), m_generationTemperature(298.15), m_nonBondedCutoff(1.0), m_timeStep(2.0), m_ewaldTolerance(0.0005), m_constraintTolerance(0.00001), m_reportInterval(1000), m_equilibriationSteps(100), m_productionSteps(1000), m_errorTolerance(0.0001), m_collisionRate(1.0), m_pressure(1.0), m_barostatInterval(25), m_dumpStep(1), m_velocityDistRandom(0), m_platformType(CUDA), m_precisionType(mixedPrecision), m_thermoInterval(50), m_minimize(0), m_minimizeSteps(1000), m_DCDReporter(true), m_PDBReporter(false), m_stateDataReporter(true), m_output(), m_dirty(false), m_warned(false), readData(false), m_jobEdit(nullptr), m_moleculeEdit(nullptr) { ui.setupUi(this); m_jobFileName = (ui.jobScriptEdit->text().isEmpty() ? ui.jobScriptEdit->placeholderText() : ui.jobScriptEdit->text()) + ".py"; m_inputCoordFileName = (ui.inputCoordEdit->text().isEmpty() ? ui.inputCoordEdit->placeholderText() : ui.inputCoordEdit->text()); m_topologyFileName = (ui.inputTopEdit->text().isEmpty() ? ui.inputTopEdit->placeholderText() : ui.inputTopEdit->text()); // Connect the GUI elements to the correct slots connect(ui.jobScriptEdit, SIGNAL(textChanged(QString)), this, SLOT(setScriptName())); connect(ui.inputCoordEdit, SIGNAL(textChanged(QString)), this, SLOT(setInputCoordName())); connect(ui.forceFieldCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setForceField(int))); connect(ui.constraintsCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setConstraintType(int))); connect(ui.waterModelCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setWaterModelType(int))); connect(ui.nonBondedMethodCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setNonBondedType(int))); connect(ui.integratorCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setIntegratorType(int))); connect(ui.barostatCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setBarostatType(int))); connect(ui.inputTopEdit, SIGNAL(textChanged(QString)), this, SLOT(setTopologyName())); connect(ui.rigidWaterCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setRigidWater(int))); connect(ui.temperatureSpin, SIGNAL(valueChanged(double)), this, SLOT(setTemperature(double))); connect(ui.generationTemperatureSpin, SIGNAL(valueChanged(double)), this, SLOT(setGenerationTemperature(double))); connect(ui.nonBondedCutoffSpin, SIGNAL(valueChanged(double)), this, SLOT(setNonBondedCutoff(double))); connect(ui.stepSpin, SIGNAL(valueChanged(double)), this, SLOT(setTimeStep(double))); connect(ui.ewaldToleranceSpin, SIGNAL(valueChanged(double)), this, SLOT(setEwaldTolerance(double))); connect(ui.constraintToleranceSpin, SIGNAL(valueChanged(double)), this, SLOT(setConstraintTolerance(double))); connect(ui.reportIntervalSpin, SIGNAL(valueChanged(int)), this, SLOT(setReportInterval(int))); connect(ui.equilibriationStepsSpin, SIGNAL(valueChanged(int)), this, SLOT(setEquilibriationSteps(int))); connect(ui.productionStepsSpin, SIGNAL(valueChanged(int)), this, SLOT(setProductionSteps(int))); connect(ui.deviceIndexSpin, SIGNAL(valueChanged(int)), this, SLOT(setDeviceIndex(int))); connect(ui.openCLIndexSpin, SIGNAL(valueChanged(int)), this, SLOT(setOpenCLPlatformIndex(int))); connect(ui.errorTolSpin, SIGNAL(valueChanged(double)), this, SLOT(setErrorTolerance(double))); connect(ui.collisionRateSpin, SIGNAL(valueChanged(double)), this, SLOT(setCollisionRate(double))); connect(ui.pressureSpin, SIGNAL(valueChanged(double)), this, SLOT(setPressure(double))); connect(ui.barostatIntervalSpin, SIGNAL(valueChanged(int)), this, SLOT(setBarostatInterval(int))); connect(ui.minimizeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setMinimize(int))); connect(ui.minimizeStepsSpin, SIGNAL(valueChanged(int)), this, SLOT(setMinimizeSteps(int))); connect(ui.initVelCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setVelocityDistRandom(int))); connect(ui.platformCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setPlatformType(int))); connect(ui.precisionCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setPrecisionType(int))); connect(ui.dcdCheck, SIGNAL(toggled(bool)), this, SLOT(setDCDReporter(bool))); connect(ui.pdbCheck, SIGNAL(toggled(bool)), this, SLOT(setPDBReporter(bool))); connect(ui.stateDataCheck, SIGNAL(toggled(bool)), this, SLOT(setStateDataReporter(bool))); connect(ui.stepIndexCheck, SIGNAL(toggled(bool)), this, SLOT(setStepIndexBoolean(bool))); connect(ui.timeCheck, SIGNAL(toggled(bool)), this, SLOT(setTimeBoolean(bool))); connect(ui.speedCheck, SIGNAL(toggled(bool)), this, SLOT(setSpeedBoolean(bool))); connect(ui.progressCheck, SIGNAL(toggled(bool)), this, SLOT(setProgressBoolean(bool))); connect(ui.potentialEnergyCheck, SIGNAL(toggled(bool)), this, SLOT(setPotentialEnergyBoolean(bool))); connect(ui.kineticEnergyCheck, SIGNAL(toggled(bool)), this, SLOT(setKineticEnergyBoolean(bool))); connect(ui.totalEnergyCheck, SIGNAL(toggled(bool)), this, SLOT(setTotalEnergyBoolean(bool))); connect(ui.temperatureCheck, SIGNAL(toggled(bool)), this, SLOT(setTemperatureBoolean(bool))); connect(ui.volumeCheck, SIGNAL(toggled(bool)), this, SLOT(setVolumeBoolean(bool))); connect(ui.densityCheck, SIGNAL(toggled(bool)), this, SLOT(setDensityBoolean(bool))); connect(ui.generateButton, SIGNAL(clicked()), this, SLOT(generateClicked())); connect(ui.resetButton, SIGNAL(clicked()), this, SLOT(resetClicked())); connect(ui.enableFormButton, SIGNAL(clicked()), this, SLOT(enableFormClicked())); QSettings settings; readSettings(settings); resetClicked(); // Generate an initial preview of the input deck updatePreviewText(); addMoleculeDataTab(); } OpenMMInputDialog::~OpenMMInputDialog() { QSettings settings; writeSettings(settings); } void OpenMMInputDialog::showEvent(QShowEvent*) { updatePreviewText(); addMoleculeDataTab(); } void OpenMMInputDialog::updatePreviewText() { if (!isVisible()) return; int jobTabPosition = 0; // Store the currently displayed tab int currIndex = ui.tabWidget->currentIndex(); // Generate the input deck and display it if (m_dirty) { QString message = tr("Would you like to update the preview text, losing all " "changes made in the OpenMM input deck preview pane?"); int response = QMessageBox::question( this, tr("Overwrite modified input files?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) == QMessageBox::No) { return; } } ui.tabWidget->removeTab(jobTabPosition); m_jobEdit = new QTextEdit(this); m_jobEdit->setObjectName(m_jobFileName); m_jobEdit->setFontFamily("monospace"); connect(m_jobEdit, SIGNAL(textChanged()), this, SLOT(textEditModified())); m_jobEdit->setText(generateInputDeck()); ui.tabWidget->insertTab(jobTabPosition, m_jobEdit, m_jobFileName); deckDirty(false); // Restore current tab ui.tabWidget->setCurrentIndex(currIndex); } void OpenMMInputDialog::addMoleculeDataTab() { int molTabPosition = 1; if (m_molecule) { ui.tabWidget->removeTab(molTabPosition); std::string molOutput, extension = m_inputCoordFileName.split(".").back().toStdString(); bool writeSDF = Io::FileFormatManager::instance().writeString( *m_molecule, molOutput, extension); if (writeSDF) { m_moleculeEdit = new QTextEdit(this); m_moleculeEdit->setObjectName(m_inputCoordFileName); m_moleculeEdit->setFontFamily("monospace"); m_moleculeEdit->setText(QString::fromStdString(molOutput)); ui.tabWidget->insertTab(molTabPosition, m_moleculeEdit, m_inputCoordFileName); } } } void OpenMMInputDialog::textEditModified() { if (auto* edit = qobject_cast(sender())) { if (edit->document()->isModified()) { deckDirty(true); } else { deckDirty(false); } } } void OpenMMInputDialog::resetClicked() { // Reset the form to defaults deckDirty(false); // 1st subdivision ui.precisionCombo->setCurrentIndex(1); ui.forceFieldCombo->setCurrentIndex(2); ui.waterModelCombo->setCurrentIndex(1); ui.platformCombo->setCurrentIndex(3); setPlatformType(3); // 2nd subdivision ui.ewaldToleranceSpin->setValue(0.0005); ui.constraintToleranceSpin->setValue(0.00001); ui.nonBondedCutoffSpin->setValue(1.0); ui.generationTemperatureSpin->setValue(298.15); ui.nonBondedMethodCombo->setCurrentIndex(4); setNonBondedType(4); ui.constraintsCombo->setCurrentIndex(1); setConstraintType(1); ui.rigidWaterCombo->setCurrentIndex(0); setRigidWater(0); ui.initVelCombo->setCurrentIndex(0); setVelocityDistRandom(0); // 3rd subdivision ui.stepSpin->setValue(2.0); ui.errorTolSpin->setValue(0.0001); ui.collisionRateSpin->setValue(1.0); ui.temperatureSpin->setValue(298.15); ui.pressureSpin->setValue(1.0); ui.barostatIntervalSpin->setValue(25); ui.barostatCombo->setCurrentIndex(0); setBarostatType(0); ui.integratorCombo->setCurrentIndex(0); setIntegratorType(0); // 4th subdivision ui.minimizeCombo->setCurrentIndex(0); ui.reportIntervalSpin->setValue(1000); ui.minimizeStepsSpin->setValue(1000); ui.productionStepsSpin->setValue(1000); ui.equilibriationStepsSpin->setValue(100); ui.stepIndexCheck->setChecked(true); ui.timeCheck->setChecked(false); ui.speedCheck->setChecked(true); ui.progressCheck->setChecked(true); ui.potentialEnergyCheck->setChecked(true); ui.kineticEnergyCheck->setChecked(false); ui.totalEnergyCheck->setChecked(false); ui.temperatureCheck->setChecked(true); ui.volumeCheck->setChecked(false); ui.densityCheck->setChecked(false); // Unfortunately, setChecked() does not emit toggled() signal // So the slots have to be invoked setStepIndexBoolean(true); setTimeBoolean(false); setSpeedBoolean(true); setProgressBoolean(true); setPotentialEnergyBoolean(true); setKineticEnergyBoolean(false); setTotalEnergyBoolean(false); setTemperatureBoolean(true); setVolumeBoolean(false); setDensityBoolean(false); ui.stateDataCheck->setChecked(true); ui.dcdCheck->setChecked(true); ui.pdbCheck->setChecked(false); updatePreviewText(); addMoleculeDataTab(); } void OpenMMInputDialog::generateClicked() { QSettings settings; QString directory = settings.value("openmmInput/outputDirectory", QDir::homePath()).toString(); if (directory.isEmpty()) directory = QDir::homePath(); directory = QFileDialog::getExistingDirectory( this, tr("Select output directory"), directory); // User cancel: if (directory.isNull()) return; settings.setValue("openmmInput/outputDirectory", directory); QDir dir(directory); // Check for problems: QStringList errors; bool fatalError = false; do { // Do/while to break on fatal errors if (!dir.exists()) { errors << tr("%1: Directory does not exist!").arg(dir.absolutePath()); fatalError = true; break; } if (!dir.isReadable()) { errors << tr("%1: Directory cannot be read!").arg(dir.absolutePath()); fatalError = true; break; } QFileInfo jobFileInfo(dir.absoluteFilePath(m_jobFileName)); if (jobFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(jobFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(jobFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(jobFileInfo.absoluteFilePath()); fatalError = true; break; } QFileInfo molFileInfo(dir.absoluteFilePath(m_inputCoordFileName)); if (molFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(molFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(molFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(molFileInfo.absoluteFilePath()); fatalError = true; break; } } while (false); // only run once // Handle fatal errors: if (fatalError) { QString formattedError; switch (errors.size()) { case 0: formattedError = tr("The input files cannot be written due to an unknown error."); break; case 1: formattedError = tr("The input files cannot be written:\n\n%1").arg(errors.first()); break; default: { // If a fatal error occurred, it will be last one in the list. Pop it // off and tell the user that it was the reason we had to stop. QString fatal = errors.last(); QStringList tmp(errors); tmp.pop_back(); formattedError = tr("The input files cannot be written:\n\n%1\n\nWarnings:\n\n%2") .arg(fatal, tmp.join("\n")); break; } } QMessageBox::critical(this, tr("Output Error"), formattedError); return; } // Non-fatal errors: if (!errors.isEmpty()) { QString formattedError = tr("Warning:\n\n%1\n\nWould you like to continue?") .arg(errors.join("\n")); QMessageBox::StandardButton reply = QMessageBox::warning(this, tr("Write input files"), formattedError, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } bool success = false; if (m_jobEdit && m_moleculeEdit) { QFile jobFile(dir.absoluteFilePath(m_jobFileName)); if (jobFile.open(QFile::WriteOnly | QFile::Text)) { if (jobFile.write(m_jobEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } jobFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(jobFile.fileName())); } QFile molFile(dir.absoluteFilePath(m_inputCoordFileName)); if (molFile.open(QFile::WriteOnly | QFile::Text)) { if (molFile.write(m_moleculeEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } molFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(molFile.fileName())); } } } void OpenMMInputDialog::enableFormClicked() { updatePreviewText(); } void OpenMMInputDialog::setScriptName() { m_jobFileName = (ui.jobScriptEdit->text().isEmpty() ? ui.jobScriptEdit->placeholderText() : ui.jobScriptEdit->text()) + ".py"; updatePreviewText(); } void OpenMMInputDialog::setInputCoordName() { ui.inputCoordEdit->setStyleSheet(""); m_inputCoordFileName = (ui.inputCoordEdit->text().isEmpty() ? ui.inputCoordEdit->placeholderText() : ui.inputCoordEdit->text()); QString ext = m_inputCoordFileName.split(".").back(); if (ext == tr("inpcrd") || ext == tr("gro")) { ui.forceFieldCombo->setEnabled(false); ui.inputTopEdit->setEnabled(true); if (ext == tr("inpcrd")) ui.inputTopEdit->setPlaceholderText(tr("input.prmtop")); else if (ext == tr("gro")) { ui.inputTopEdit->setPlaceholderText(tr("input.top")); } updatePreviewText(); } else if (ext == tr("pdb")) { ui.forceFieldCombo->setEnabled(true); ui.inputTopEdit->setEnabled(false); updatePreviewText(); } else { ui.forceFieldCombo->setEnabled(false); ui.inputTopEdit->setEnabled(false); ui.inputCoordEdit->setStyleSheet("color: #FF0000"); } addMoleculeDataTab(); } void OpenMMInputDialog::setTopologyName() { ui.inputCoordEdit->setStyleSheet(""); m_topologyFileName = (ui.inputTopEdit->text().isEmpty() ? ui.inputTopEdit->placeholderText() : ui.inputTopEdit->text()); QString ext = m_topologyFileName.split(".").back(); QString extCoord = m_inputCoordFileName.split(".").back(); if (extCoord == tr("inpcrd")) { if (ext != tr("prmtop")) { ui.inputCoordEdit->setStyleSheet("color: #FF0000"); } } else if (extCoord == tr("gro")) { if (ext != tr("top")) { ui.inputCoordEdit->setStyleSheet("color: #FF0000"); } } updatePreviewText(); } void OpenMMInputDialog::setForceField(int n) { m_forceFieldType = (OpenMMInputDialog::forceFieldType)n; ui.forceFieldCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setConstraintType(int n) { m_constraintType = static_cast(n); ui.constraintsCombo->setEnabled(true); if (m_constraintType == None) { ui.constraintToleranceSpin->setEnabled(false); } else { ui.constraintToleranceSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setWaterModelType(int n) { m_waterModelType = static_cast(n); ui.waterModelCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setNonBondedType(int n) { m_nonBondedType = static_cast(n); ui.nonBondedMethodCombo->setEnabled(true); if (m_nonBondedType == NoCutoff) { ui.nonBondedCutoffSpin->setEnabled(false); ui.ewaldToleranceSpin->setEnabled(false); } else if (m_nonBondedType == CutoffPeriodic || m_nonBondedType == CutoffNonPeriodic) { ui.nonBondedCutoffSpin->setEnabled(true); ui.ewaldToleranceSpin->setEnabled(false); } else if (m_nonBondedType == Ewald || m_nonBondedType == PME) { ui.nonBondedCutoffSpin->setEnabled(true); ui.ewaldToleranceSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setIntegratorType(int n) { m_integratorType = static_cast(n); ui.integratorCombo->setEnabled(true); if (m_integratorType == Langevin || m_integratorType == Brownian || m_integratorType == VariableLangevin) { if (m_integratorType == Langevin || m_integratorType == Brownian) { ui.stepSpin->setEnabled(true); ui.errorTolSpin->setEnabled(false); } else if (m_integratorType == VariableLangevin) { ui.stepSpin->setEnabled(false); ui.errorTolSpin->setEnabled(true); } ui.collisionRateSpin->setEnabled(true); ui.temperatureSpin->setEnabled(true); ui.barostatCombo->setEnabled(true); if (m_barostatType == NoBarostat) { ui.pressureSpin->setEnabled(false); ui.barostatIntervalSpin->setEnabled(false); } else { ui.pressureSpin->setEnabled(true); ui.barostatIntervalSpin->setEnabled(true); } } else if (m_integratorType == Verlet || m_integratorType == VariableVerlet) { if (m_integratorType == Verlet) { ui.stepSpin->setEnabled(true); ui.errorTolSpin->setEnabled(false); } else if (m_integratorType == VariableVerlet) { ui.stepSpin->setEnabled(false); ui.errorTolSpin->setEnabled(true); } ui.collisionRateSpin->setEnabled(false); ui.temperatureSpin->setEnabled(false); ui.barostatCombo->setEnabled(false); ui.pressureSpin->setEnabled(false); ui.barostatIntervalSpin->setEnabled(false); } updatePreviewText(); } void OpenMMInputDialog::setBarostatType(int n) { m_barostatType = static_cast(n); ui.barostatCombo->setEnabled(true); if (m_barostatType == NoBarostat) { ui.pressureSpin->setEnabled(false); ui.barostatIntervalSpin->setEnabled(false); } else { ui.pressureSpin->setEnabled(true); ui.barostatIntervalSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setMolecule(QtGui::Molecule* molecule) { // Disconnect the old molecule first... if (molecule == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; // Update the preview text whenever primitives are changed connect(molecule, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); updatePreviewText(); } void OpenMMInputDialog::setRigidWater(int n) { m_rigidWater = n; ui.rigidWaterCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setMinimize(int n) { m_minimize = n; ui.minimizeCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setMinimizeSteps(int n) { m_minimizeSteps = n; ui.minimizeStepsSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTemperature(double n) { m_temperature = n; ui.temperatureSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setNonBondedCutoff(double n) { m_nonBondedCutoff = n; ui.nonBondedCutoffSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTimeStep(double n) { m_timeStep = n; ui.stepSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setEwaldTolerance(double n) { m_ewaldTolerance = n; ui.ewaldToleranceSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setConstraintTolerance(double n) { m_constraintTolerance = n; ui.constraintToleranceSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setReportInterval(int n) { m_reportInterval = n; ui.reportIntervalSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setEquilibriationSteps(int n) { m_equilibriationSteps = n; ui.equilibriationStepsSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setProductionSteps(int n) { m_productionSteps = n; ui.productionStepsSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setDeviceIndex(int n) { m_deviceIndex = n; ui.deviceIndexSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setOpenCLPlatformIndex(int n) { m_openclPlatformIndex = n; ui.openCLIndexSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setErrorTolerance(double n) { m_errorTolerance = n; ui.errorTolSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setCollisionRate(double n) { m_collisionRate = n; ui.collisionRateSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPressure(double n) { m_pressure = n; ui.pressureSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setBarostatInterval(int n) { m_barostatInterval = n; ui.barostatIntervalSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setVelocityDistRandom(int n) { m_velocityDistRandom = n; ui.initVelCombo->setEnabled(true); if (m_velocityDistRandom == 1) { ui.generationTemperatureSpin->setEnabled(false); } else { ui.generationTemperatureSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setGenerationTemperature(double n) { m_generationTemperature = n; ui.generationTemperatureSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setDCDReporter(bool state) { m_DCDReporter = state; ui.dcdCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPDBReporter(bool state) { m_PDBReporter = state; ui.pdbCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setStepIndexBoolean(bool state) { m_stepIndex = state; ui.stepIndexCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTimeBoolean(bool state) { m_time = state; ui.timeCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setSpeedBoolean(bool state) { m_speed = state; ui.speedCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setProgressBoolean(bool state) { m_progress = state; ui.progressCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPotentialEnergyBoolean(bool state) { m_potentialEnergy = state; ui.potentialEnergyCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setKineticEnergyBoolean(bool state) { m_kineticEnergy = state; ui.kineticEnergyCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTotalEnergyBoolean(bool state) { m_totalEnergy = state; ui.totalEnergyCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTemperatureBoolean(bool state) { m_temperature = state; ui.temperatureCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setVolumeBoolean(bool state) { m_volume = state; ui.volumeCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setDensityBoolean(bool state) { m_density = state; ui.densityCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setStateDataReporter(bool state) { ui.stepIndexCheck->setEnabled(state); ui.timeCheck->setEnabled(state); ui.speedCheck->setEnabled(state); ui.progressCheck->setEnabled(state); ui.potentialEnergyCheck->setEnabled(state); ui.kineticEnergyCheck->setEnabled(state); ui.totalEnergyCheck->setEnabled(state); ui.temperatureCheck->setEnabled(state); ui.volumeCheck->setEnabled(state); ui.densityCheck->setEnabled(state); m_stateDataReporter = state; ui.stateDataCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPlatformType(int n) { m_platformType = static_cast(n); ui.platformCombo->setEnabled(true); if (m_platformType == Reference || m_platformType == CPU) { ui.precisionCombo->setEnabled(false); ui.deviceIndexSpin->setEnabled(false); ui.openCLIndexSpin->setEnabled(false); } else { ui.precisionCombo->setEnabled(true); ui.deviceIndexSpin->setEnabled(true); if (m_platformType == OpenCL) ui.openCLIndexSpin->setEnabled(true); else ui.openCLIndexSpin->setEnabled(false); } updatePreviewText(); } void OpenMMInputDialog::setPrecisionType(int n) { m_precisionType = static_cast(n); ui.precisionCombo->setEnabled(true); updatePreviewText(); } QString OpenMMInputDialog::generateInputDeck() { // Generate an input deck based on the settings of the dialog QString buffer; QTextStream scriptStream(&buffer); scriptStream << "############################################################" "##############\n"; scriptStream << "# OpenMM input script generated by Avogadro.\n"; scriptStream << "# Builder adapted from OpenMM script builder " "http://builder.openmm.org.\n"; scriptStream << "############################################################" "##############\n\n"; scriptStream << "from __future__ import print_function\n"; scriptStream << "from simtk.openmm import app\n"; scriptStream << "import simtk.openmm as mm\n"; scriptStream << "from simtk import unit\n"; scriptStream << "from sys import stdout\n"; // first two or three lines, that load up the FF and the pdb // these lines end with the start of the function something.createSystem( QString ext = m_inputCoordFileName.split(".").back(); if (ext == tr("pdb")) { scriptStream << "\npdb = app.PDBFile(\'" << m_inputCoordFileName << "\')\n"; scriptStream << "forcefield = app.ForceField(\'" << getForceFieldType(m_forceFieldType) << ".xml\'"; scriptStream << ", \'" << getWaterModelType(m_waterModelType) << ".xml\'"; scriptStream << ")\n\n"; scriptStream << "system = forcefield.createSystem(pdb.topology, "; } else if (ext == tr("inpcrd")) { scriptStream << "\nprmtop = app.AmberPrmtopFile(\'" << m_topologyFileName << "\')\n"; scriptStream << "inpcrd = app.AmberInpcrdFile(\'" << m_inputCoordFileName << "\')\n\n"; scriptStream << "system = prmtop.createSystem("; if (m_waterModelType == implicit) { scriptStream << "implicitSolvent=app.OBC2, "; } } else if (ext == tr("gro")) { scriptStream << "\ngro = app.GromacsGroFile(\'" << m_inputCoordFileName << "\')\n"; scriptStream << "top = app.GromacsTopFile(\'" << m_topologyFileName << "\')\n\n"; scriptStream << "system = top.createSystem("; if (m_waterModelType == implicit) { scriptStream << "implicitSolvent=app.OBC2, "; } } else { // TODO } // options for the system scriptStream << "nonbondedMethod=" << "app." << getNonBondedType(m_nonBondedType) << ","; if (m_nonBondedCutoff > 0) { scriptStream << " nonbondedCutoff=" << Qt::fixed << qSetRealNumberPrecision(4) << m_nonBondedCutoff << "*unit.nanometers,"; } if (m_constraintType == None) { scriptStream << " constraints=" << getConstraintType(m_constraintType); } else { scriptStream << " constraints=" << "app." << getConstraintType(m_constraintType); } scriptStream << ", rigidWater=" << getRigidWater(m_rigidWater); if (m_nonBondedType == Ewald || m_nonBondedType == PME) { scriptStream << ", ewaldErrorTolerance=" << Qt::fixed << qSetRealNumberPrecision(5) << m_ewaldTolerance; } scriptStream << ")\n"; // set the integrator scriptStream << "integrator = mm." << getIntegratorType(m_integratorType) << "Integrator("; if (m_integratorType == Langevin || m_integratorType == Brownian) { scriptStream << m_temperature << "*unit.kelvin, "; scriptStream << m_collisionRate << "/unit.picoseconds, "; } if (m_integratorType == VariableLangevin || m_integratorType == VariableVerlet) { scriptStream << m_errorTolerance << ")\n"; } else { scriptStream << m_timeStep << "*unit.femtoseconds)\n"; } if (m_constraintType != None && m_constraintTolerance > 0) { scriptStream << "integrator.setConstraintTolerance(" << m_constraintTolerance << ")\n"; } // add a barostat if (m_barostatType == MonteCarlo) { scriptStream << "system.addForce(mm.MonteCarloBarostat(" << m_pressure << "*unit.atmospheres"; scriptStream << ", " << m_temperature << "*unit.kelvin"; if (m_barostatInterval > 0) { scriptStream << ", " << m_barostatInterval; } scriptStream << "))\n"; } // // add a thermostat // if (m_thermostatType == Andersen) { // scriptStream << "system.addForce(mm.AndersenThermostat(" << // m_temperature << "*unit.kelvin"; scriptStream << ", " << // m_collisionRate << "/unit.picoseconds" << "))\n"; // } scriptStream << "\n"; // set the platform options scriptStream << "platform = mm.Platform.getPlatformByName(\'" << getPlatformType(m_platformType) << "\')\n"; if (m_platformType == CUDA) { scriptStream << R"(properties = {'CudaPrecision': ')" << getPrecisionType(m_precisionType) << "\'"; if (m_deviceIndex > 0) { scriptStream << R"(, 'CudaDeviceIndex': ')" << m_deviceIndex << "\'"; } scriptStream << "}\n"; } else if (m_platformType == OpenCL) { scriptStream << R"(properties = {'OpenCLPrecision': ')" << getPrecisionType(m_precisionType) << "\'"; if (m_openclPlatformIndex > 0) { scriptStream << R"(, 'OpenCLPlatformIndex': ')" << m_openclPlatformIndex << "\'"; } if (m_deviceIndex > 0) { scriptStream << ", "; if (m_openclPlatformIndex > 0) { scriptStream << "\n "; } scriptStream << R"('OpenCLDeviceIndex': ')" << m_deviceIndex << "\'"; } scriptStream << "}\n"; } // create the simulation object scriptStream << "simulation = app.Simulation(" << (ext == tr("pdb") ? "pdb" : "prmtop") << ".topology, system, integrator, platform"; if (m_platformType == CUDA || m_platformType == OpenCL) { scriptStream << ", properties"; } scriptStream << ")\n"; if (ext == tr("pdb")) { scriptStream << "simulation.context.setPositions(pdb.positions)\n\n"; } else if (ext == tr("inpcrd")) { scriptStream << "simulation.context.setPositions(inpcrd.positions)\n\n"; } else if (ext == tr("gro")) { scriptStream << "simulation.context.setPositions(gro.positions)\n\n"; } else { // TODO } // minimize if (getMinimize(m_minimize) == tr("True")) { scriptStream << "print('Minimizing...\')\n"; if (m_minimizeSteps == 0) { scriptStream << "simulation.minimizeEnergy()\n"; } else { scriptStream << "simulation.minimizeEnergy(maxIterations=" << m_minimizeSteps << ")\n"; } } if (getVelocityDistRandom(m_velocityDistRandom) == tr("True")) { scriptStream << "\nsimulation.context.setVelocitiesToTemperature(" << m_generationTemperature << "*unit.kelvin)\n"; } // equilibrate if (m_equilibriationSteps > 0) { scriptStream << "print(\'Equilibrating...\')\n"; scriptStream << "simulation.step(" << m_equilibriationSteps << ")\n\n"; } // add reporters // if (d.simulation.dcd_reporter == 'True' && // d.simulation.statedata_opts.length > 0) { if (m_DCDReporter) { scriptStream << "simulation.reporters.append(app.DCDReporter(\'trajectory.dcd\'"; scriptStream << ", " << m_reportInterval << "))\n"; scriptStream << "\n"; } if (m_PDBReporter) { scriptStream << "simulation.reporters.append(app.PDBReporter(\'trajectory.pdb\'"; scriptStream << ", " << m_reportInterval << "))\n"; scriptStream << "\n"; } if (m_stateDataReporter) { scriptStream << "simulation.reporters.append(app.StateDataReporter("; scriptStream << "stdout"; scriptStream << ", " << m_reportInterval; if (m_stepIndex) scriptStream << ", step=True"; if (m_time) scriptStream << ", time=True"; if (m_potentialEnergy) scriptStream << ", potentialEnergy=True"; if (m_kineticEnergy) scriptStream << ", kineticEnergy=True"; if (m_totalEnergy) scriptStream << ", totalEnergy=True"; if (m_temperatureCheck) scriptStream << ", temperature=True"; if (m_volume) scriptStream << ", volume=True"; if (m_density) scriptStream << ", density=True"; if (m_progress) scriptStream << ", progress=True, remainingTime=True"; if (m_speed) scriptStream << ", speed=True"; // if using progress (which also implies remaining time), totalSteps // is required. if (m_progress) scriptStream << ", totalSteps=" << m_productionSteps; scriptStream << ", separator=\'\\t\'))\n"; scriptStream << "\n"; } // run scriptStream << "print(\'Running Production...\')\n"; scriptStream << "simulation.step(" << m_productionSteps << ")\n"; scriptStream << "print(\'Done!\')\n"; return buffer; } QString OpenMMInputDialog::getForceFieldType(forceFieldType t) { // Translate the enum to text for the output generation switch (t) { case amber96: return "amber96"; case amber99sb: return "amber99sb"; case amber99sbildn: return "amber99sbildn"; case amber99sbnmr: return "amber99sbnmr"; case amber03: return "amber03"; case amber10: return "amber10"; default: return "amber99sbildn"; } } QString OpenMMInputDialog::getImplicitSolventType(forceFieldType t) { // Translate the enum to text for the output generation switch (t) { case amber96: return "amber96_obc"; case amber99sb: return "amber99_obc"; case amber99sbildn: return "amber99_obc"; case amber99sbnmr: return "amber99_obc"; case amber03: return "amber03_obc"; case amber10: return "amber10_obc"; default: return "amber99_obc"; } } QString OpenMMInputDialog::getConstraintType(constraintType t) { switch (t) { case None: return "None"; case HBonds: return "HBonds"; case AllBonds: return "AllBonds"; case HAngles: return "HAngles"; default: return "HBonds"; } } QString OpenMMInputDialog::getWaterModelType(waterModelType t) { switch (t) { case spce: return "spce"; case tip3p: return "tip3p"; case tip4pew: return "tip4pew"; case tip5p: return "tip5p"; case implicit: return getImplicitSolventType(m_forceFieldType); default: return "tip3p"; } } QString OpenMMInputDialog::getNonBondedType(nonBondedType t) { switch (t) { case NoCutoff: return "NoCutoff"; case CutoffNonPeriodic: return "CutoffNonPeriodic"; case CutoffPeriodic: return "CutoffPeriodic"; case Ewald: return "Ewald"; case PME: return "PME"; default: return "PME"; } } QString OpenMMInputDialog::getIntegratorType(integratorType t) { switch (t) { case Langevin: return "Langevin"; case Verlet: return "Verlet"; case Brownian: return "Brownian"; case VariableVerlet: return "VariableVerlet"; case VariableLangevin: return "VariableLangevin"; default: return "Langevin"; } } QString OpenMMInputDialog::getBarostatType(barostatType t) { switch (t) { case NoBarostat: return "None"; case MonteCarlo: return "MonteCarlo"; default: return "None"; } } QString OpenMMInputDialog::getRigidWater(int t) { switch (t) { case 0: return "True"; case 1: return "False"; default: return "False"; } } QString OpenMMInputDialog::getVelocityDistRandom(int t) { switch (t) { case 0: return "True"; case 1: return "False"; default: return "True"; } } QString OpenMMInputDialog::getPlatformType(platformType t) { switch (t) { case Reference: return "Reference"; case OpenCL: return "OpenCL"; case CUDA: return "CUDA"; case CPU: return "CPU"; default: return "CUDA"; } } QString OpenMMInputDialog::getPrecisionType(precisionType t) { switch (t) { case singlePrecision: return "single"; case mixedPrecision: return "mixed"; case doublePrecision: return "double"; default: return "mixed"; } } QString OpenMMInputDialog::getMinimize(int t) { switch (t) { case 0: return "True"; case 1: return "False"; default: return "True"; } } void OpenMMInputDialog::deckDirty(bool dirty) { m_dirty = dirty; // ui.titleLine->setEnabled(!dirty); // ui.calculationCombo->setEnabled(!dirty); // ui.theoryCombo->setEnabled(!dirty); // ui.basisCombo->setEnabled(!dirty); // ui.multiplicitySpin->setEnabled(!dirty); // ui.chargeSpin->setEnabled(!dirty); ui.enableFormButton->setEnabled(dirty); } void OpenMMInputDialog::readSettings(QSettings& settings) { m_savePath = settings.value("openmm/savepath").toString(); } void OpenMMInputDialog::writeSettings(QSettings& settings) const { settings.setValue("openmm/savepath", m_savePath); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/openmminputdialog.h000066400000000000000000000126411516317240700316050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef OPENMMINPUTDIALOG_H #define OPENMMINPUTDIALOG_H #include "ui_openmminputdialog.h" #include #include class QJsonObject; class QTextEdit; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class OpenMMInputDialog : public QDialog { Q_OBJECT public: explicit OpenMMInputDialog(QWidget* parent = nullptr, Qt::WindowFlags flag = Qt::WindowFlags()); ~OpenMMInputDialog() override; void readSettings(QSettings&); void writeSettings(QSettings&) const; enum forceFieldType { amber96, amber99sb, amber99sbildn, amber99sbnmr, amber03, amber10 }; enum waterModelType { spce, tip3p, tip4pew, tip5p, implicit }; enum nonBondedType { NoCutoff, CutoffNonPeriodic, CutoffPeriodic, Ewald, PME }; enum constraintType { None, HBonds, AllBonds, HAngles }; enum integratorType { Langevin, Verlet, Brownian, VariableLangevin, VariableVerlet }; enum barostatType { NoBarostat, MonteCarlo }; enum platformType { Reference, OpenCL, CPU, CUDA }; enum precisionType { singlePrecision, mixedPrecision, doublePrecision }; void setMolecule(QtGui::Molecule* molecule); protected: /** * Reimplemented to update the dialog when it is shown */ void showEvent(QShowEvent* event) override; private: Ui::OpenMMInputDialog ui; QtGui::Molecule* m_molecule; // QString m_title; QString m_readData; forceFieldType m_forceFieldType; QString m_title; QString m_savePath; waterModelType m_waterModelType; nonBondedType m_nonBondedType; constraintType m_constraintType; integratorType m_integratorType; barostatType m_barostatType; int m_deviceIndex; int m_openclPlatformIndex; int m_rigidWater; double m_temperature; double m_generationTemperature; double m_nonBondedCutoff; double m_timeStep; double m_ewaldTolerance; double m_constraintTolerance; int m_reportInterval; int m_equilibriationSteps; int m_productionSteps; double m_errorTolerance; double m_collisionRate; double m_pressure; int m_barostatInterval; QString m_dumpXYZ; int m_dumpStep; int m_velocityDistRandom; platformType m_platformType; precisionType m_precisionType; int m_thermoInterval; int m_minimize; int m_minimizeSteps; bool m_DCDReporter; bool m_PDBReporter; bool m_stateDataReporter; bool m_stepIndex; bool m_time; bool m_speed; bool m_progress; bool m_potentialEnergy; bool m_kineticEnergy; bool m_totalEnergy; bool m_temperatureCheck; bool m_volume; bool m_density; QString m_output; bool m_dirty; bool m_warned; bool readData; QTextEdit* m_jobEdit; QTextEdit* m_moleculeEdit; QString m_inputCoordFileName; QString m_topologyFileName; QString m_jobFileName; // Generate an input deck as a string QString generateInputDeck(); // Translate enums to strings QString getForceFieldType(forceFieldType t); QString getImplicitSolventType(forceFieldType t); QString getConstraintType(constraintType t); QString getWaterModelType(waterModelType t); QString getNonBondedType(nonBondedType t); QString getIntegratorType(integratorType t); QString getBarostatType(barostatType t); QString getRigidWater(int t); QString getVelocityDistRandom(int t); QString getPlatformType(platformType t); QString getPrecisionType(precisionType t); QString getMinimize(int t); // Enable/disable form elements void deckDirty(bool); void addMoleculeDataTab(); public Q_SLOTS: void updatePreviewText(); private Q_SLOTS: //! Button Slots void textEditModified(); void resetClicked(); void generateClicked(); void enableFormClicked(); void setScriptName(); void setInputCoordName(); void setTopologyName(); void setForceField(int); void setConstraintType(int); void setWaterModelType(int); void setNonBondedType(int); void setIntegratorType(int); void setBarostatType(int); void setRigidWater(int); void setTemperature(double); void setGenerationTemperature(double); void setNonBondedCutoff(double); void setTimeStep(double); void setEwaldTolerance(double); void setConstraintTolerance(double); void setReportInterval(int); void setEquilibriationSteps(int); void setProductionSteps(int); void setDeviceIndex(int); void setOpenCLPlatformIndex(int); void setErrorTolerance(double); void setCollisionRate(double); void setPressure(double); void setBarostatInterval(int); void setVelocityDistRandom(int); void setDCDReporter(bool); void setPDBReporter(bool); void setStateDataReporter(bool); void setStepIndexBoolean(bool); void setTimeBoolean(bool); void setSpeedBoolean(bool); void setProgressBoolean(bool); void setPotentialEnergyBoolean(bool); void setKineticEnergyBoolean(bool); void setTotalEnergyBoolean(bool); void setTemperatureBoolean(bool); void setVolumeBoolean(bool); void setDensityBoolean(bool); void setPlatformType(int); void setPrecisionType(int); void setMinimize(int); void setMinimizeSteps(int); }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/openmminput/openmminputdialog.ui000066400000000000000000000705141516317240700317760ustar00rootroot00000000000000 OpenMMInputDialog 0 0 1182 697 0 0 OpenMM Script Builder true QLayout::SizeConstraint::SetNoConstraint QLayout::SizeConstraint::SetDefaultConstraint Job script: script Input Coords: input.pdb Input Topology: false input.prmtop Forcefield: AMBER96 AMBER99sb AMBER99sb-ildn AMBER99sb-nmr AMBER03 AMBER10 Water Model: SPC/E TIP3P TIP4P-Ew TIP5P Implicit Solvent (OBC) Platform: Reference OpenCL CPU CUDA Precision: single mixed double Device Index: 1 10000 1 OpenCL Platform Index: 1 10000 1 1 Qt::Orientation::Horizontal Nonbonded method: NoCutoff CutoffNonPeriodic CutoffPeriodic Ewald PME Ewald Tolerance: 5 0.000010000000000 10000.000000000000000 0.000010000000000 0.000500000000000 Constraints: None HBonds AllBonds HAngles Constraint Tolerance: 5 0.000010000000000 10000.000000000000000 0.000010000000000 1.000000000000000 Rigid water? True False Nonbonded cutoff: nm 4 0.000100000000000 10000.000000000000000 0.000100000000000 1.000000000000000 Random initial velocity: True False Generation Temp: K 2 20000.000000000000000 298.149999999999977 1 Qt::Orientation::Horizontal Integrator: Langevin Verlet Brownian VariableLangevin VariableVerlet Time step for the simulation in units according to "Units" specification. Timestep: Time step for the simulation in units according to "Units" specification. fs 0.500000000000000 2.000000000000000 Error tolerance: 4 0.000100000000000 10000.000000000000000 0.000100000000000 0.000100000000000 Collision rate: /ps 2 20000.000000000000000 1.500000000000000 Temperature: K 2 20000.000000000000000 298.149999999999977 Barostat: None Monte Carlo Pressure: atm 2 20000.000000000000000 1.000000000000000 Barostat Interval 1 10000 25 Qt::Orientation::Horizontal Reporters: StateData true DCD true PDB false Report Interval: 1 9999999 1000 Equilibration Steps: 1 9999999 100 Production Steps: 1 9999999 1000 Minimize? True False Max. Minimize Steps: 1 9999999 1000 StateData options: Step Index true Time false Speed true Progress true Potential Energy true Kinetic Energy false Total Energy false Temperature true Volume false Density false Qt::Orientation::Horizontal 40 20 0 0 QLayout::SizeConstraint::SetFixedSize Reset false Use Form Qt::Orientation::Horizontal 48 26 Generate… Close generateButton closeButton resetButton enableFormButton closeButton clicked() OpenMMInputDialog close() 451 411 258 243 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/overlayaxes/000077500000000000000000000000001516317240700256645ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/overlayaxes/CMakeLists.txt000066400000000000000000000004311516317240700304220ustar00rootroot00000000000000find_package(OpenGL REQUIRED) find_package(GLEW REQUIRED) avogadro_plugin(OverlayAxes "Reference Axes" ScenePlugin overlayaxes.h OverlayAxes overlayaxes.cpp "") target_link_libraries(OverlayAxes PRIVATE Avogadro::Rendering Avogadro::QtOpenGL OpenGL::GL GLEW::GLEW) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/overlayaxes/overlayaxes.cpp000066400000000000000000000067771516317240700307530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "overlayaxes.h" #include #include #include #include #include #include #include #include using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Rendering::ArrowGeometry; using Avogadro::Rendering::Camera; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Eigen::Affine3f; namespace { // Arrow geometry class that overrides the camera used in rendering // to display in a corner of the screen. class OverlayArrowGeometry : public ArrowGeometry { public: OverlayArrowGeometry() { setRenderPass(Avogadro::Rendering::Overlay3DPass); } ~OverlayArrowGeometry() override {} void render(const Camera& camera) override; }; void OverlayArrowGeometry::render(const Camera& camera) { // Swap in a new viewport/camera for the overlay // Keep the rotation, lose the translation: Affine3f mv(camera.modelView()); mv.matrix().block<3, 1>(0, 3) = Vector3f::Zero(); // Save the actual viewport - works better on high resolution screens GLint viewport[4]; glGetIntegerv(GL_VIEWPORT, viewport); // The largest window dimension, used to scale the axes const int maxDim = std::max(viewport[2], viewport[3]); Camera arrowCamera(camera); arrowCamera.setViewport(maxDim / 10, maxDim / 10); arrowCamera.setModelView(mv); // Reset orthographic scale so axes are constant size regardless of zoom arrowCamera.setOrthographicScale(1.0f); arrowCamera.calculateOrthographic(-1.f, 1.f, -1.f, 1.f, -1.f, 1.f); glViewport(static_cast(10), static_cast(10), static_cast(arrowCamera.width()), static_cast(arrowCamera.height())); ArrowGeometry::render(arrowCamera); glViewport(viewport[0], viewport[1], viewport[2], viewport[3]); } } // namespace namespace Avogadro::QtPlugins { class OverlayAxes::RenderImpl { public: RenderImpl(); ~RenderImpl(); OverlayArrowGeometry* arrows; }; OverlayAxes::RenderImpl::RenderImpl() : arrows(new OverlayArrowGeometry) { // Use thicker arrows for the overlay (closer to original mesh-based axes) arrows->setRadiusScale(3.0f); // Add the three axes arrows (origin to unit axis, each with its own color) const Vector3f origin(0.f, 0.f, 0.f); arrows->addSingleArrow(origin, Vector3f(1.f, 0.f, 0.f), Vector3ub(255, 0, 0)); arrows->addSingleArrow(origin, Vector3f(0.f, 1.f, 0.f), Vector3ub(0, 255, 0)); arrows->addSingleArrow(origin, Vector3f(0.f, 0.f, 1.f), Vector3ub(0, 0, 255)); } OverlayAxes::RenderImpl::~RenderImpl() { delete arrows; } OverlayAxes::OverlayAxes(QObject* p) : ScenePlugin(p), m_render(new RenderImpl) { m_layerManager = QtGui::PluginLayerManager(m_name); } OverlayAxes::~OverlayAxes() {} void OverlayAxes::process(const QtGui::Molecule&, Rendering::GroupNode& node) { auto* geo = new GeometryNode; // Since our geometry doesn't change, we just make a copy of the pre-built // set of axes. geo->addDrawable(new OverlayArrowGeometry(*m_render->arrows)); node.addChild(geo); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/overlayaxes/overlayaxes.h000066400000000000000000000023251516317240700304010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OVERLAYAXES_H #define AVOGADRO_QTPLUGINS_OVERLAYAXES_H #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render reference axes in the corner of the display. */ class OverlayAxes : public Avogadro::QtGui::ScenePlugin { Q_OBJECT public: explicit OverlayAxes(QObject* parent = nullptr); ~OverlayAxes() override; QString name() const override { return tr("Reference Axes"); } QString description() const override { return tr("Render reference axes in the corner of the display."); } void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; private: std::string m_name = "Reference Axes"; class RenderImpl; RenderImpl* const m_render; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OVERLAYAXES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/000077500000000000000000000000001516317240700266335ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/CMakeLists.txt000066400000000000000000000011501516317240700313700ustar00rootroot00000000000000find_package(LibArchive REQUIRED) set(packageinstaller_srcs packageinstaller.cpp packagemanagerdialog.cpp packagemodel.cpp zipextractor.cpp ) avogadro_plugin(PackageInstaller "Install, update, and remove Avogadro packages" ExtensionPlugin packageinstaller.h PackageInstaller "${packageinstaller_srcs}" packagemanagerdialog.ui "" ) target_link_libraries(PackageInstaller PRIVATE Qt::Network LibArchive::LibArchive nlohmann_json::nlohmann_json ) if(WIN32) # for https support target_link_libraries(PackageInstaller PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packageinstaller.cpp000066400000000000000000000023241516317240700326510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "packageinstaller.h" #include "packagemanagerdialog.h" #include namespace Avogadro::QtPlugins { PackageInstaller::PackageInstaller(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)) { m_action->setEnabled(true); m_action->setText(tr("Manage Plugins…")); m_action->setProperty("menu priority", 520); connect(m_action, &QAction::triggered, this, &PackageInstaller::showDialog); } PackageInstaller::~PackageInstaller() { if (m_dialog) m_dialog->deleteLater(); } QList PackageInstaller::actions() const { return { m_action }; } QStringList PackageInstaller::menuPath(QAction*) const { return { tr("&Extensions") }; } void PackageInstaller::showDialog() { if (m_dialog == nullptr) m_dialog = new PackageManagerDialog(qobject_cast(parent())); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packageinstaller.h000066400000000000000000000026131516317240700323170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PACKAGEINSTALLER_H #define AVOGADRO_QTPLUGINS_PACKAGEINSTALLER_H #include #include class QAction; namespace Avogadro { namespace QtPlugins { class PackageManagerDialog; /** * @brief Extension plugin that provides the "Manage Packages…" dialog, * allowing users to browse, install, update, and remove Avogadro packages. */ class PackageInstaller : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit PackageInstaller(QObject* parent = nullptr); ~PackageInstaller() override; QString name() const override { return tr("Package Installer"); } QString description() const override { return tr("Install, update, and remove Avogadro packages."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule*) override {} private slots: void showDialog(); private: QAction* m_action = nullptr; QPointer m_dialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PACKAGEINSTALLER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packagemanagerdialog.cpp000066400000000000000000000530121516317240700334460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "packagemanagerdialog.h" #include "packagemodel.h" #include "ui_packagemanagerdialog.h" #include "zipextractor.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { static void setRawHeaders(QNetworkRequest* request) { request->setRawHeader("Accept", "text/html,application/xhtml+xml,application/" "xml;q=0.9,image/webp,*/*;q=0.8"); request->setRawHeader("User-Agent", "Avogadro/2.0 PackageManager"); request->setRawHeader("Accept-Language", "en-US,en;q=0.8"); } // --------------------------------------------------------------------------- // Constructor / Destructor // --------------------------------------------------------------------------- PackageManagerDialog::PackageManagerDialog(QWidget* parent) : QDialog(parent), m_ui(new Ui::PackageManagerDialog) { m_filePath = QStandardPaths::writableLocation(QStandardPaths::AppLocalDataLocation) + QStringLiteral("/plugins"); m_ui->setupUi(this); m_network = new QNetworkAccessManager(this); m_model = new PackageModel(this); m_proxyModel = new QSortFilterProxyModel(this); m_proxyModel->setSourceModel(m_model); m_proxyModel->setFilterCaseSensitivity(Qt::CaseInsensitive); m_proxyModel->setFilterKeyColumn(-1); // search all columns m_proxyModel->sort(PackageModel::NameColumn, Qt::AscendingOrder); m_ui->packageTable->setModel(m_proxyModel); m_ui->packageTable->setSortingEnabled(true); m_ui->packageTable->setMouseTracking(true); m_ui->packageTable->viewport()->setMouseTracking(true); m_ui->packageTable->setSelectionBehavior(QAbstractItemView::SelectRows); m_ui->packageTable->horizontalHeader()->setStretchLastSection(true); m_ui->packageTable->horizontalHeader()->setSectionResizeMode( QHeaderView::ResizeToContents); m_ui->packageTable->verticalHeader()->hide(); connect(m_ui->searchEdit, &QLineEdit::textChanged, m_proxyModel, &QSortFilterProxyModel::setFilterFixedString); connect(m_ui->refreshButton, &QPushButton::clicked, this, &PackageManagerDialog::refreshOnlineCatalog); connect(m_ui->packageTable->selectionModel(), &QItemSelectionModel::currentRowChanged, this, &PackageManagerDialog::onCurrentRowChanged); connect(m_ui->packageTable, &QAbstractItemView::entered, this, &PackageManagerDialog::showCellTooltip); connect(m_ui->installButton, &QPushButton::clicked, this, &PackageManagerDialog::installSelected); connect(m_ui->removeButton, &QPushButton::clicked, this, &PackageManagerDialog::removeSelected); connect(m_ui->installLocalButton, &QPushButton::clicked, this, &PackageManagerDialog::installFromDirectory); connect(QtGui::PackageManager::instance(), &QtGui::PackageManager::packagesInstalled, this, &PackageManagerDialog::onPackagesInstalled); // Load installed packages immediately (without waiting for the network) m_model->mergeInstalledPackages(); // Then fetch the online catalog getRepoData(); } PackageManagerDialog::~PackageManagerDialog() { delete m_ui; } // --------------------------------------------------------------------------- // Online catalog // --------------------------------------------------------------------------- void PackageManagerDialog::getRepoData(const QString& url) { QNetworkRequest request; setRawHeaders(&request); request.setUrl(QUrl(url)); QNetworkReply* reply = m_network->get(request); connect(reply, &QNetworkReply::finished, this, &PackageManagerDialog::onCatalogReply); } void PackageManagerDialog::refreshOnlineCatalog() { m_ui->readmeBrowser->clear(); getRepoData(); } void PackageManagerDialog::onCatalogReply() { auto* reply = qobject_cast(sender()); if (reply == nullptr) return; if (reply->error() != QNetworkReply::NoError) { m_ui->readmeBrowser->append( tr("Error downloading plugin list: %1").arg(reply->errorString())); reply->deleteLater(); return; } QByteArray bytes = reply->readAll(); reply->deleteLater(); if (bytes.isEmpty()) { m_ui->readmeBrowser->append(tr("Error: empty response from server.")); return; } m_model->loadOnlineCatalog(bytes); m_model->mergeInstalledPackages(); } // --------------------------------------------------------------------------- // README display // --------------------------------------------------------------------------- void PackageManagerDialog::showCellTooltip(const QModelIndex& proxyIndex) { const QString tooltip = m_proxyModel->data(proxyIndex, Qt::ToolTipRole).toString(); m_ui->packageTable->viewport()->setToolTip(tooltip); if (tooltip.isEmpty()) { QToolTip::hideText(); return; } int pointSize = QApplication::font().pointSize(); if (pointSize <= 0) pointSize = 10; ++pointSize; QString html = tooltip.toHtmlEscaped(); html.replace(QLatin1Char('\n'), QStringLiteral("
")); QToolTip::showText(QCursor::pos(), QStringLiteral("%2") .arg(pointSize) .arg(html), m_ui->packageTable->viewport(), m_ui->packageTable->visualRect(proxyIndex)); } void PackageManagerDialog::onCurrentRowChanged(const QModelIndex& current, const QModelIndex& previous) { Q_UNUSED(previous) if (!current.isValid()) return; QModelIndex sourceIndex = m_proxyModel->mapToSource(current); QString url = m_model->readmeUrl(sourceIndex.row()); m_ui->readmeBrowser->clear(); // For locally-installed packages with no online README URL, try the local // file if (url.isEmpty()) { const QString& dir = m_model->entry(sourceIndex.row()).installedDir; if (!dir.isEmpty()) { QFile localReadme(dir + QStringLiteral("/README.md")); if (localReadme.open(QIODevice::ReadOnly | QIODevice::Text)) { m_ui->readmeBrowser->setMarkdown( QString::fromUtf8(localReadme.readAll())); } } return; } QNetworkRequest request; setRawHeaders(&request); request.setUrl(QUrl(url)); request.setAttribute(QNetworkRequest::RedirectPolicyAttribute, QNetworkRequest::NoLessSafeRedirectPolicy); QNetworkReply* reply = m_network->get(request); reply->setProperty("readmeUrl", url); connect(reply, &QNetworkReply::finished, this, &PackageManagerDialog::onReadmeReply); } void PackageManagerDialog::onReadmeReply() { auto* reply = qobject_cast(sender()); if (reply == nullptr) return; // Discard replies that no longer match the current selection const QString requestedUrl = reply->property("readmeUrl").toString(); const QModelIndex currentIdx = m_ui->packageTable->selectionModel()->currentIndex(); if (currentIdx.isValid()) { const QModelIndex sourceIdx = m_proxyModel->mapToSource(currentIdx); if (requestedUrl != m_model->readmeUrl(sourceIdx.row())) { reply->deleteLater(); return; } } if (reply->error() != QNetworkReply::NoError) { m_ui->readmeBrowser->setPlainText( tr("Error fetching README: %1").arg(reply->errorString())); reply->deleteLater(); return; } QByteArray bytes = reply->readAll(); reply->deleteLater(); // GitHub API returns JSON with base64-encoded content if (nlohmann::json::accept(bytes.data())) { nlohmann::json root = nlohmann::json::parse(bytes.data()); if (root.contains("content") && root["content"].is_string()) { QByteArray content = QByteArray::fromBase64(root["content"].get().c_str()); m_ui->readmeBrowser->setMarkdown(QString::fromUtf8(content)); return; } } // Fall back: treat the response as raw markdown m_ui->readmeBrowser->setMarkdown(QString::fromUtf8(bytes)); } // --------------------------------------------------------------------------- // Install / Update // --------------------------------------------------------------------------- void PackageManagerDialog::installSelected() { m_downloadQueue.clear(); m_ui->readmeBrowser->clear(); QList rows; const QModelIndexList selected = m_ui->packageTable->selectionModel()->selectedRows(); for (const QModelIndex& proxyIdx : selected) rows.append(m_proxyModel->mapToSource(proxyIdx).row()); // TODO: Fix this since we don't use checkboxes if (rows.isEmpty()) { QMessageBox::information( this, tr("Nothing Selected"), tr("Check the box next to a plugin to install or update it.")); return; } // Warn about any packages that require a newer Avogadro version QStringList incompatible; for (int row : rows) { const PackageModel::PackageEntry& e = m_model->entry(row); if (!PackageModel::versionCompatible(e)) incompatible.append( tr("%1 (requires %2)").arg(e.name, e.minimumAvogadroVersion)); } if (!incompatible.isEmpty()) { const int ret = QMessageBox::warning( this, tr("Version Incompatibility"), tr("The following plugins require a newer version of Avogadro:\n\n" "%1\n\nInstall anyway?") .arg(incompatible.join('\n')), QMessageBox::Yes | QMessageBox::Cancel, QMessageBox::Cancel); if (ret != QMessageBox::Yes) return; } for (int row : rows) { const PackageModel::PackageEntry& e = m_model->entry(row); if (e.zipballUrl.isEmpty()) continue; DownloadEntry de; de.url = e.zipballUrl; de.name = e.name; m_downloadQueue.append(de); } if (m_downloadQueue.isEmpty()) { QStringList unavailable; unavailable.reserve(rows.size()); for (int row : rows) { const PackageModel::PackageEntry& e = m_model->entry(row); if (e.zipballUrl.isEmpty()) unavailable.append(e.name); } QMessageBox::information( this, tr("No Download Available"), tr("The selected plugin(s) do not provide a downloadable source URL:\n\n" "%1") .arg(unavailable.join(QLatin1Char('\n')))); return; } downloadNext(); } void PackageManagerDialog::downloadNext() { if (m_downloadQueue.isEmpty()) return; const QString url = m_downloadQueue.last().url; QNetworkRequest request; setRawHeaders(&request); request.setUrl(QUrl(url)); QNetworkReply* reply = m_network->get(request); connect(reply, &QNetworkReply::finished, this, &PackageManagerDialog::handleRedirect); } void PackageManagerDialog::handleRedirect() { auto* reply = qobject_cast(sender()); if (reply == nullptr) return; if (m_downloadQueue.isEmpty()) { reply->deleteLater(); return; } int statusCode = reply->attribute(QNetworkRequest::HttpStatusCodeAttribute).toInt(); if (reply->error() == QNetworkReply::NoError) { if (statusCode == 301 || statusCode == 302 || statusCode == 307 || statusCode == 308) { QUrl redirectUrl = reply->attribute(QNetworkRequest::RedirectionTargetAttribute).toUrl(); if (redirectUrl.isRelative()) redirectUrl = reply->url().resolved(redirectUrl); reply->deleteLater(); if (!redirectUrl.isValid()) { m_ui->readmeBrowser->append( tr("Failed to follow redirect while downloading %1.\n") .arg(m_downloadQueue.last().name)); m_downloadQueue.removeLast(); downloadNext(); return; } QNetworkRequest request; setRawHeaders(&request); request.setUrl(redirectUrl); QNetworkReply* redirectReply = m_network->get(request); connect(redirectReply, &QNetworkReply::finished, this, &PackageManagerDialog::handleRedirect); } else if (statusCode == 200) { unzipPlugin(reply); } else { m_ui->readmeBrowser->append( tr("Failed to download from %1: status %2, %3\n") .arg(reply->url().toString()) .arg(statusCode) .arg(reply->errorString())); reply->deleteLater(); m_downloadQueue.removeLast(); downloadNext(); } } else { m_ui->readmeBrowser->append(tr("Failed to download from %1: %2\n") .arg(reply->url().toString()) .arg(reply->errorString())); reply->deleteLater(); m_downloadQueue.removeLast(); downloadNext(); } } void PackageManagerDialog::unzipPlugin(QNetworkReply* reply) { if (reply == nullptr) return; if (m_downloadQueue.isEmpty()) { reply->deleteLater(); return; } if (reply->error() != QNetworkReply::NoError) { reply->deleteLater(); m_downloadQueue.removeLast(); downloadNext(); return; } QByteArray fileData = reply->readAll(); reply->deleteLater(); QDir().mkpath(m_filePath); const QString repoName = m_downloadQueue.last().name; const QString filename = repoName + QStringLiteral(".zip"); const QString absolutePath = m_filePath + '/' + filename; m_ui->readmeBrowser->append( tr("Downloading %1 to %2\n").arg(filename).arg(m_filePath)); QFile out(absolutePath); if (!out.open(QIODevice::WriteOnly)) { QMessageBox::critical(this, tr("Error"), tr("Cannot save file %1.").arg(absolutePath)); m_downloadQueue.removeLast(); downloadNext(); return; } out.write(fileData); out.close(); ZipExtractor unzip; m_ui->readmeBrowser->append(tr("Extracting %1…\n").arg(filename)); QList newFiles = unzip.listFiles(absolutePath.toStdString()); QList errors = unzip.extract(m_filePath.toStdString() + '/', absolutePath.toStdString()); if (errors.empty() && !newFiles.isEmpty()) { m_ui->readmeBrowser->append( tr("Extraction complete (%1 files)\n").arg(newFiles.size())); // Derive component name from GitHub archive directory names like: // "OpenChemistry-crystals-a7c672d" → "crystals" // "ghutchis-avogadro-rdkit-2e9abcd" → "avogadro-rdkit" // Pattern is always {org}-{repo}-{sha}, strip org prefix and SHA suffix. QString rawName = newFiles[0]; if (rawName.endsWith('/')) rawName.chop(1); QString component = rawName; // Strip trailing SHA: last segment if it looks like a hex hash (7+ chars) int lastDash = component.lastIndexOf('-'); if (lastDash != -1) { QStringView tail = QStringView(component).mid(lastDash + 1); bool isHex = tail.size() >= 7; for (qsizetype i = 0; isHex && i < tail.size(); ++i) { QChar c = tail[i]; isHex = c.isDigit() || (c >= 'a' && c <= 'f') || (c >= 'A' && c <= 'F'); } if (isHex) component = component.left(lastDash); } // Strip leading org/owner prefix (everything before the first dash) int firstDash = component.indexOf('-'); if (firstDash != -1) component = component.mid(firstDash + 1); const QString source = QDir::cleanPath(m_filePath + '/' + newFiles[0]); const QString dest = QDir::cleanPath(m_filePath + '/' + component); if (source != dest) { QDir(dest).removeRecursively(); if (!QDir().rename(source, dest)) { m_ui->readmeBrowser->append( tr("Error: could not move extracted package %1 to %2\n") .arg(source) .arg(dest)); out.remove(); m_downloadQueue.removeLast(); downloadNext(); return; } } QtGui::PackageManager::instance()->installPackages({ dest }); } else { if (!errors.isEmpty()) m_ui->readmeBrowser->append( tr("Extraction error: %1").arg(errors.first())); else m_ui->readmeBrowser->append(tr("Extraction yielded no files.\n")); } out.remove(); m_downloadQueue.removeLast(); downloadNext(); } void PackageManagerDialog::onPackagesInstalled() { m_ui->readmeBrowser->append(tr("Installation complete.\n")); m_model->mergeInstalledPackages(); } // --------------------------------------------------------------------------- // Remove // --------------------------------------------------------------------------- void PackageManagerDialog::removeSelected() { // Collect installed selected rows (map proxy → source) QList toRemove; const QModelIndexList selected = m_ui->packageTable->selectionModel()->selectedRows(); for (const QModelIndex& proxyIdx : selected) { int row = m_proxyModel->mapToSource(proxyIdx).row(); const PackageModel::PackageEntry& e = m_model->entry(row); if (e.status != PackageModel::PackageStatus::NotInstalled) toRemove.append(row); } // Symlinks are created for local-disk installs — just remove the link QMutableListIterator it(toRemove); while (it.hasNext()) { int row = it.next(); const PackageModel::PackageEntry& e = m_model->entry(row); QFileInfo fi(e.installedDir); if (fi.isSymLink()) { QFile::remove(e.installedDir); const QString packageKey = e.packageKey.isEmpty() ? e.name : e.packageKey; QtGui::PackageManager::instance()->unregisterPackage(packageKey); it.remove(); } } // TODO - fix this string since we don't use checkboxes if (toRemove.isEmpty()) { QMessageBox::information( this, tr("Nothing to Remove"), tr("Check the box next to an installed plugin to remove it.")); return; } // Ask user whether to delete files QMessageBox msgBox(this); msgBox.setWindowTitle(tr("Remove Plugins")); msgBox.setText(tr("Remove %n selected plugin(s)?", "", toRemove.size())); msgBox.setIcon(QMessageBox::Question); msgBox.setStandardButtons(QMessageBox::Cancel); msgBox.addButton(tr("Keep Files"), QMessageBox::NoRole); QPushButton* deleteBtn = msgBox.addButton(tr("Delete Files"), QMessageBox::DestructiveRole); msgBox.exec(); if (msgBox.clickedButton() == msgBox.button(QMessageBox::Cancel)) return; bool deleteFiles = (msgBox.clickedButton() == deleteBtn); for (int row : toRemove) { PackageModel::PackageEntry& e = m_model->entry(row); const QString packageKey = e.packageKey.isEmpty() ? e.name : e.packageKey; QtGui::PackageManager::instance()->unregisterPackage(packageKey); if (deleteFiles && !e.installedDir.isEmpty()) { if (QFileInfo{ e.installedDir }.isSymLink()) QFile(e.installedDir).remove(); else QDir(e.installedDir).removeRecursively(); } } // Refresh table state m_model->mergeInstalledPackages(); } // --------------------------------------------------------------------------- // Install from local directory // --------------------------------------------------------------------------- void PackageManagerDialog::installFromDirectory() { QString dir = QFileDialog::getExistingDirectory( this, tr("Select Plugin Directory"), QDir::homePath()); if (dir.isEmpty()) return; if (!QFileInfo(dir + QStringLiteral("/pyproject.toml")).exists()) { QMessageBox::warning( this, tr("Invalid Directory"), tr("The selected directory does not contain a pyproject.toml file.")); return; } QDir().mkpath(m_filePath); const QString baseName = QFileInfo(dir).fileName(); const QString linkPath = m_filePath + '/' + baseName; QFileInfo existing(linkPath); if (existing.isSymLink()) { if (existing.symLinkTarget() == dir) { // Already pointing at the right directory — nothing to do m_ui->readmeBrowser->append( tr("Plugin already installed as symlink: %1\n").arg(linkPath)); QtGui::PackageManager::instance()->installPackages({ linkPath }); return; } // Stale symlink pointing elsewhere — remove and reinstall QFile::remove(linkPath); } else if (existing.isDir()) { // Remove any previous non-symlink installation at that path QDir(linkPath).removeRecursively(); } // Attempt to create a symlink; fall back to a recursive copy bool linked = QFile::link(dir, linkPath); if (linked) { m_ui->readmeBrowser->append( tr("Created symlink: %1 → %2\n").arg(linkPath).arg(dir)); } else { m_ui->readmeBrowser->append( tr("Symlink creation failed; copying files instead…\n")); if (!copyDir(dir, linkPath)) { QMessageBox::critical(this, tr("Error"), tr("Failed to copy package to %1.").arg(linkPath)); return; } } m_ui->readmeBrowser->append(tr("Installing plugin from %1…\n").arg(dir)); QtGui::PackageManager::instance()->installPackages({ linkPath }); } bool PackageManagerDialog::copyDir(const QString& src, const QString& dst) { QDir srcDir(src); if (!srcDir.exists()) return false; QDir().mkpath(dst); const QFileInfoList entries = srcDir.entryInfoList(QDir::Files | QDir::Dirs | QDir::NoDotAndDotDot); for (const QFileInfo& fi : entries) { const QString target = dst + '/' + fi.fileName(); if (fi.isDir()) { if (!copyDir(fi.absoluteFilePath(), target)) return false; } else { if (!QFile::copy(fi.absoluteFilePath(), target)) return false; } } return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packagemanagerdialog.h000066400000000000000000000041551516317240700331170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PACKAGEMANAGERDIALOG_H #define AVOGADRO_QTPLUGINS_PACKAGEMANAGERDIALOG_H #include #include #include #include class QNetworkAccessManager; class QNetworkReply; class QSortFilterProxyModel; namespace Ui { class PackageManagerDialog; } namespace Avogadro { namespace QtPlugins { class PackageModel; /** * @brief Dialog for browsing, installing, updating, and removing Avogadro * packages. Replaces the old DownloaderWidget. * * Combines the online catalog from avogadro.cc/plugins.json with locally * installed packages tracked by PackageManager. */ class PackageManagerDialog : public QDialog { Q_OBJECT public: explicit PackageManagerDialog(QWidget* parent = nullptr); ~PackageManagerDialog() override; private slots: void refreshOnlineCatalog(); void onCatalogReply(); void onReadmeReply(); void showCellTooltip(const QModelIndex& index); void onCurrentRowChanged(const QModelIndex& current, const QModelIndex& previous); void installSelected(); void removeSelected(); void installFromDirectory(); void onPackagesInstalled(); void handleRedirect(); private: void getRepoData( const QString& url = QStringLiteral("https://avogadro.cc/plugins2.json")); void downloadNext(); void unzipPlugin(QNetworkReply* reply); static bool copyDir(const QString& src, const QString& dst); struct DownloadEntry { QString url; QString name; }; Ui::PackageManagerDialog* m_ui = nullptr; PackageModel* m_model = nullptr; QSortFilterProxyModel* m_proxyModel = nullptr; QNetworkAccessManager* m_network = nullptr; QString m_filePath; QList m_downloadQueue; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PACKAGEMANAGERDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packagemanagerdialog.ui000066400000000000000000000053541516317240700333070ustar00rootroot00000000000000 PackageManagerDialog 0 0 1000 520 Manage Plugins… Search plugins… true Refresh Qt::Horizontal QAbstractItemView::SelectRows true true true Install from Directory… Qt::Horizontal 40 20 Remove Selected Install / Update Selected OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packagemodel.cpp000066400000000000000000000435501516317240700317620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "packagemodel.h" #include #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; namespace Avogadro::QtPlugins { PackageModel::PackageModel(QObject* parent) : QAbstractTableModel(parent) {} // --------------------------------------------------------------------------- // QAbstractTableModel interface // --------------------------------------------------------------------------- int PackageModel::rowCount(const QModelIndex& parent) const { return parent.isValid() ? 0 : static_cast(m_entries.size()); } int PackageModel::columnCount(const QModelIndex& parent) const { return parent.isValid() ? 0 : ColumnCount; } QVariant PackageModel::data(const QModelIndex& index, int role) const { if (!index.isValid() || index.row() >= m_entries.size()) return {}; const PackageEntry& e = m_entries[index.row()]; if (role == Qt::TextAlignmentRole && index.column() == StatusColumn) return static_cast(Qt::AlignCenter); if (role == Qt::DisplayRole && index.column() == StatusColumn) return statusIcon(e.status); if (role == Qt::ToolTipRole && index.column() == StatusColumn) { switch (e.status) { case PackageStatus::NotInstalled: return tr("Not installed"); case PackageStatus::Installed: return tr("Installed (up to date)"); case PackageStatus::UpdateAvailable: return tr("Update available"); case PackageStatus::LocalOnly: return tr("Installed locally (not in online catalog)"); } } if (role == Qt::ToolTipRole && index.column() == NameColumn) { if (!versionCompatible(e)) return tr("Requires Avogadro %1 or later (running %2)") .arg(e.minimumAvogadroVersion, QString::fromLatin1(Avogadro::version())); return {}; } if (role == Qt::ToolTipRole && index.column() == FeaturesColumn) { if (e.featureTypes.isEmpty()) return {}; // Build one line per feature to clearly map displayed glyphs to labels. QStringList labels; for (const QString& ft : e.featureTypes) { const QString label = featureTypeLabel(ft); const QString glyph = featureGlyph(ft); if (!glyph.isEmpty()) labels.append(QStringLiteral("%1\t%2").arg(glyph, label)); else labels.append(label); } return labels.join(QLatin1Char('\n')); } // Red foreground for version-incompatible packages if (role == Qt::ForegroundRole && !versionCompatible(e)) return QColor(Qt::red); if (role == Qt::DisplayRole) { switch (index.column()) { case StatusColumn: return {}; case NameColumn: return displayName(e.name); case AvailableColumn: if (e.status == PackageStatus::LocalOnly) return e.installedVersion; return e.hasRelease ? e.onlineVersion : e.updatedAt; case FeaturesColumn: { if (e.featureTypes.isEmpty()) return {}; QStringList glyphs; for (const QString& ft : e.featureTypes) { const QString g = featureGlyph(ft); if (!g.isEmpty()) glyphs.append(g); } return glyphs.join(QLatin1Char(' ')); } case DescriptionColumn: return e.description; default: return {}; } } return {}; } bool PackageModel::setData(const QModelIndex& index, const QVariant& value, int role) { if (!index.isValid() || index.row() >= m_entries.size()) return false; return false; } QVariant PackageModel::headerData(int section, Qt::Orientation orientation, int role) const { if (orientation != Qt::Horizontal) return {}; if (role == Qt::ToolTipRole && section == FeaturesColumn) { const QStringList featureTypes = { QStringLiteral("electrostatic-models"), QStringLiteral("energy-models"), QStringLiteral("file-formats"), QStringLiteral("input-generators"), QStringLiteral("menu-commands") }; QStringList lines; for (const QString& featureType : featureTypes) { const QString label = featureTypeLabel(featureType); const QString glyph = featureGlyph(featureType); if (!glyph.isEmpty()) lines.append(QStringLiteral("%1\t%2").arg(glyph, label)); else lines.append(label); } return tr("Feature icons:\n%1").arg(lines.join(QLatin1Char('\n'))); } if (role != Qt::DisplayRole) return {}; switch (section) { case StatusColumn: return tr("Status"); case NameColumn: return tr("Name"); case AvailableColumn: return tr("Version"); case FeaturesColumn: return tr("Features"); case DescriptionColumn: return tr("Description"); default: return {}; } } Qt::ItemFlags PackageModel::flags(const QModelIndex& index) const { if (!index.isValid()) return Qt::NoItemFlags; return Qt::ItemIsEnabled | Qt::ItemIsSelectable; } // --------------------------------------------------------------------------- // Data loading // --------------------------------------------------------------------------- void PackageModel::loadOnlineCatalog(const QByteArray& jsonBytes) { beginResetModel(); m_entries.clear(); json root = json::parse(jsonBytes.data(), nullptr, /*allow_exceptions=*/false); if (root.is_discarded() || !root.is_array()) { endResetModel(); return; } for (const auto& item : root) { if (!item.is_object()) continue; PackageEntry e; auto get = [&](const char* key, QString& out) { auto it = item.find(key); if (it != item.end() && it->is_string()) out = QString::fromStdString(it->get()); }; get("name", e.name); get("description", e.description); get("version", e.onlineVersion); get("minimum-avogadro-version", e.minimumAvogadroVersion); // git.repo is a clone URL; strip .git suffix for a web base URL auto gitIt = item.find("git"); if (gitIt != item.end() && gitIt->is_object()) { auto repoIt = gitIt->find("repo"); if (repoIt != gitIt->end() && repoIt->is_string()) { e.baseUrl = QString::fromStdString(repoIt->get()); if (e.baseUrl.endsWith(QStringLiteral(".git"))) e.baseUrl.chop(4); } } // src may be either: // - object: {url, sha256} // - array: [{url, sha256}, ...] (legacy) // Use the first available url. auto srcIt = item.find("src"); const auto setSrcUrl = [&](const json& srcObj) { auto urlIt = srcObj.find("url"); if (urlIt != srcObj.end() && urlIt->is_string()) { e.zipballUrl = QString::fromStdString(urlIt->get()); e.hasRelease = true; } }; if (srcIt != item.end()) { if (srcIt->is_object()) { setSrcUrl(*srcIt); } else if (srcIt->is_array() && !srcIt->empty() && srcIt->front().is_object()) { setSrcUrl(srcIt->front()); } } // readme-url is a GitHub blob page URL; convert to raw for fetching get("readme-url", e.readmeUrl); if (!e.readmeUrl.isEmpty()) { e.readmeUrl.replace(QStringLiteral("github.com"), QStringLiteral("raw.githubusercontent.com")); e.readmeUrl.replace(QStringLiteral("/blob/"), QStringLiteral("/")); } auto featIt = item.find("feature-types"); if (featIt != item.end() && featIt->is_array()) { for (const auto& f : *featIt) { if (f.is_string()) e.featureTypes.append(QString::fromStdString(f.get())); } } auto dateIt = item.find("last-update"); if (dateIt != item.end() && dateIt->is_string()) { QString raw = QString::fromStdString(dateIt->get()); e.onlineUpdatedAt = QDateTime::fromString(raw, Qt::ISODate); e.updatedAt = QLocale().toString(e.onlineUpdatedAt.date(), QLocale::ShortFormat); } e.status = PackageStatus::NotInstalled; if (!e.name.isEmpty()) m_entries.append(e); } std::sort(m_entries.begin(), m_entries.end(), [](const PackageEntry& a, const PackageEntry& b) { return a.name.compare(b.name, Qt::CaseInsensitive) < 0; }); endResetModel(); } void PackageModel::mergeInstalledPackages() { // Use a full model reset because we may be adding or removing LocalOnly rows. beginResetModel(); // First, clear any previously set installed state from catalog entries for (PackageEntry& e : m_entries) { if (e.status != PackageStatus::LocalOnly) { e.installedVersion.clear(); e.packageKey.clear(); e.installedDir.clear(); e.isSymlink = false; e.status = PackageStatus::NotInstalled; } } // Remove any previously added LocalOnly entries m_entries.removeIf( [](const PackageEntry& e) { return e.status == PackageStatus::LocalOnly; }); QtGui::PackageManager* pm = QtGui::PackageManager::instance(); const QStringList installed = pm->registeredPackages(); // Build a single lookup map keyed on the normalised package name. // Each catalog entry is indexed by its name and its repo-slug (last segment // of baseUrl), both normalised, so "avogenerators" == "generators", etc. QHash byNormName; for (int i = 0; i < m_entries.size(); ++i) { const PackageEntry& e = m_entries[i]; if (!e.name.isEmpty()) byNormName.insert(normalizePackageName(e.name), i); if (!e.baseUrl.isEmpty()) { const QString slug = e.baseUrl.split('/').last(); if (!slug.isEmpty()) byNormName.insert(normalizePackageName(slug), i); } } for (const QString& pkgName : installed) { QtGui::PackageManager::PackageInfo info = pm->packageInfo(pkgName); // Determine if the installed directory is a symlink bool symlink = QFileInfo(info.directory).isSymLink(); // Try to find a matching entry in the online catalog using normalised // names. int idx = byNormName.value(normalizePackageName(pkgName), -1); // Also try the directory base name (handles cases where pkgName != repo // name) if (idx == -1) { const QString dirBase = QFileInfo(info.directory).fileName(); idx = byNormName.value(normalizePackageName(dirBase), -1); } if (idx != -1) { PackageEntry& e = m_entries[idx]; e.installedVersion = info.version; e.packageKey = pkgName; e.installedDir = info.directory; e.isSymlink = symlink; e.status = computeStatus(e); } else { // LocalOnly — installed but not in the online catalog PackageEntry e; e.name = pkgName; e.description = info.description; e.installedVersion = info.version; e.packageKey = pkgName; e.installedDir = info.directory; e.isSymlink = symlink; e.featureTypes = pm->packageFeatureTypes(pkgName); e.status = PackageStatus::LocalOnly; m_entries.append(e); } } std::sort(m_entries.begin(), m_entries.end(), [](const PackageEntry& a, const PackageEntry& b) { return a.name.compare(b.name, Qt::CaseInsensitive) < 0; }); endResetModel(); } // --------------------------------------------------------------------------- // Accessors // --------------------------------------------------------------------------- QString PackageModel::readmeUrl(int row) const { if (row < 0 || row >= m_entries.size()) return {}; return m_entries[row].readmeUrl; } // --------------------------------------------------------------------------- // Helpers // --------------------------------------------------------------------------- PackageModel::PackageStatus PackageModel::computeStatus(const PackageEntry& e) { if (e.installedDir.isEmpty()) return PackageStatus::NotInstalled; if (e.status == PackageStatus::LocalOnly) return PackageStatus::LocalOnly; // Prefer semantic version ordering when both versions parse cleanly. if (!e.installedVersion.isEmpty() && !e.onlineVersion.isEmpty()) { bool semverComparable = false; const int cmp = compareSemVer(e.installedVersion, e.onlineVersion, semverComparable); if (semverComparable) return cmp < 0 ? PackageStatus::UpdateAvailable : PackageStatus::Installed; } // Fallback: if the online catalog update timestamp is newer than the local // package metadata file, treat it as an available update. if (isOnlineNewerByDate(e)) return PackageStatus::UpdateAvailable; return PackageStatus::Installed; } bool PackageModel::isOnlineNewerByDate(const PackageEntry& e) { if (!e.onlineUpdatedAt.isValid() || e.installedDir.isEmpty()) return false; QDateTime localModified; const QFileInfo pyproject(e.installedDir + QStringLiteral("/pyproject.toml")); if (pyproject.exists()) localModified = pyproject.lastModified(); if (!localModified.isValid()) localModified = QFileInfo(e.installedDir).lastModified(); if (!localModified.isValid()) return false; return e.onlineUpdatedAt > localModified; } bool PackageModel::parseSemVer(const QString& version, int& major, int& minor, int& patch) { static const QRegularExpression re( QStringLiteral("^v?(\\d+)\\.(\\d+)(?:\\.(\\d+))?(?:[-+].*)?$")); const QRegularExpressionMatch match = re.match(version.trimmed()); if (!match.hasMatch()) return false; bool okMajor = false; bool okMinor = false; bool okPatch = true; major = match.captured(1).toInt(&okMajor); minor = match.captured(2).toInt(&okMinor); patch = match.captured(3).isEmpty() ? 0 : match.captured(3).toInt(&okPatch); return okMajor && okMinor && okPatch; } int PackageModel::compareSemVer(const QString& lhs, const QString& rhs, bool& ok) { int lhsMajor = 0; int lhsMinor = 0; int lhsPatch = 0; int rhsMajor = 0; int rhsMinor = 0; int rhsPatch = 0; const bool lhsValid = parseSemVer(lhs, lhsMajor, lhsMinor, lhsPatch); const bool rhsValid = parseSemVer(rhs, rhsMajor, rhsMinor, rhsPatch); ok = lhsValid && rhsValid; if (!ok) return 0; if (lhsMajor != rhsMajor) return lhsMajor < rhsMajor ? -1 : 1; if (lhsMinor != rhsMinor) return lhsMinor < rhsMinor ? -1 : 1; if (lhsPatch != rhsPatch) return lhsPatch < rhsPatch ? -1 : 1; return 0; } QString PackageModel::statusIcon(PackageStatus status) { switch (status) { case PackageStatus::NotInstalled: return QStringLiteral("\u2795"); // ➕ heavy plus sign case PackageStatus::Installed: return QStringLiteral("\u2705"); // ✅ white check mark case PackageStatus::UpdateAvailable: return QStringLiteral("\u2757"); // ❗ red exclamation mark case PackageStatus::LocalOnly: return QStringLiteral("\U0001F4C1"); // 📁 file folder } return {}; } // Common Avogadro prefixes, longest first to avoid partial matches. static const char* s_avoPrefixes[] = { "avogadro-", "avogadro_", "avogadro", "avo-", "avo_", "avo" }; /// Return the length of the first matching prefix, or 0 if none match. static int avoPrefixLength(const QString& name, Qt::CaseSensitivity cs) { for (const char* prefix : s_avoPrefixes) { const QLatin1String p(prefix); if (name.startsWith(p, cs)) return p.size(); } return 0; } QString PackageModel::normalizePackageName(const QString& name) { QString n = name.toLower(); int len = avoPrefixLength(n, Qt::CaseSensitive); if (len > 0) n = n.mid(len); // Fold hyphens and underscores so "my-plugin" == "my_plugin". n.replace('-', '_'); return n; } QString PackageModel::displayName(const QString& name) { int len = avoPrefixLength(name, Qt::CaseInsensitive); if (len > 0) return name.mid(len); return name; } QString PackageModel::featureTypeLabel(const QString& featureType) { if (featureType == QLatin1String("electrostatic-models")) return tr("Electrostatics"); if (featureType == QLatin1String("energy-models")) return tr("Energy Models"); if (featureType == QLatin1String("file-formats")) return tr("File Formats"); if (featureType == QLatin1String("input-generators")) return tr("Input Generators"); if (featureType == QLatin1String("menu-commands")) return tr("Commands"); // Unknown feature type — return as-is (capitalised for readability) if (featureType.isEmpty()) return {}; QString label = featureType; label[0] = label[0].toUpper(); return label.replace('-', ' '); } QString PackageModel::featureGlyph(const QString& featureType) { if (featureType == QLatin1String("electrostatic-models")) return QStringLiteral("\u26A1"); // ⚡ LIGHTNING BOLT if (featureType == QLatin1String("energy-models")) return QStringLiteral("E"); if (featureType == QLatin1String("file-formats")) return QStringLiteral("\U0001F4C4"); // 📄 PAGE FACING UP if (featureType == QLatin1String("input-generators")) return QStringLiteral("\u269B"); // ⚛ ATOM SYMBOL if (featureType == QLatin1String("menu-commands")) return QStringLiteral("\u2630"); // ☰ TRIGRAM / HAMBURGER MENU return {}; } bool PackageModel::versionCompatible(const PackageEntry& e) { if (e.minimumAvogadroVersion.isEmpty()) return true; bool ok = false; const int cmp = compareSemVer(QString::fromLatin1(Avogadro::version()), e.minimumAvogadroVersion, ok); // If either string didn't parse as semver, assume compatible. return !ok || cmp >= 0; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/packagemodel.h000066400000000000000000000122601516317240700314210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PACKAGEMODEL_H #define AVOGADRO_QTPLUGINS_PACKAGEMODEL_H #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Table model combining online catalog packages with locally installed * packages. Supports install, update, and remove workflows. */ class PackageModel : public QAbstractTableModel { Q_OBJECT public: /** Columns exposed by the model. */ enum Column { StatusColumn = 0, NameColumn = 1, AvailableColumn = 2, FeaturesColumn = 3, DescriptionColumn = 4, ColumnCount = 5 }; /** Installation / update status for a package. */ enum class PackageStatus { NotInstalled, ///< In catalog, not installed locally Installed, ///< Installed, version matches online (or no online version) UpdateAvailable, ///< Installed, newer version available online LocalOnly ///< Installed, not found in online catalog }; /** Combined representation of one package (online + installed state). */ struct PackageEntry { // Online catalog fields QString name; QString description; QString onlineVersion; ///< "release_version" from JSON, "" if no release QString updatedAt; ///< Formatted date, fallback when no release version QDateTime onlineUpdatedAt; ///< Raw ISO timestamp for update heuristics. QString zipballUrl; QString baseUrl; ///< GitHub repo URL — primary match key QString readmeUrl; bool hasRelease = false; QString type; QString minimumAvogadroVersion; ///< from "minimum-avogadro-version", "" if none QStringList featureTypes; ///< from "feature-types" array // Installed state (populated from PackageManager) QString installedVersion; ///< from pyproject.toml [project.version] QString packageKey; ///< Registered package key used by PackageManager QString installedDir; ///< absolute path on disk, "" if not installed bool isSymlink = false; ///< true if installedDir is a symlink // UI state PackageStatus status = PackageStatus::NotInstalled; }; explicit PackageModel(QObject* parent = nullptr); ~PackageModel() override = default; // QAbstractTableModel interface int rowCount(const QModelIndex& parent = QModelIndex()) const override; int columnCount(const QModelIndex& parent = QModelIndex()) const override; QVariant data(const QModelIndex& index, int role = Qt::DisplayRole) const override; bool setData(const QModelIndex& index, const QVariant& value, int role = Qt::EditRole) override; QVariant headerData(int section, Qt::Orientation orientation, int role = Qt::DisplayRole) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; /** * Load the online package catalog from JSON bytes (plugins.json). * Resets the model; call mergeInstalledPackages() afterward. */ void loadOnlineCatalog(const QByteArray& jsonBytes); /** * Overlay installed-package data from PackageManager onto the existing * entries. Also appends LocalOnly entries for installed packages not found * in the online catalog. */ void mergeInstalledPackages(); // Accessors int entryCount() const { return static_cast(m_entries.size()); } const PackageEntry& entry(int row) const { return m_entries[row]; } PackageEntry& entry(int row) { return m_entries[row]; } /** README URL for the given source-model row. */ QString readmeUrl(int row) const; /** * Returns true when the running Avogadro version satisfies the entry's * minimum-avogadro-version requirement (or when no minimum is specified). */ static bool versionCompatible(const PackageEntry& e); /** Short translated label for a feature type string. */ static QString featureTypeLabel(const QString& featureType); private: /** * Strip common Avogadro prefixes and normalise separators so that e.g. * "avogenerators" and "generators" map to the same key. */ static QString normalizePackageName(const QString& name); /** Strip common Avogadro prefixes for display, preserving original case. */ static QString displayName(const QString& name); /** Compute (or recompute) the status of one entry. */ static PackageStatus computeStatus(const PackageEntry& e); static bool isOnlineNewerByDate(const PackageEntry& e); static bool parseSemVer(const QString& version, int& major, int& minor, int& patch); static int compareSemVer(const QString& lhs, const QString& rhs, bool& ok); /** Emoji glyph for the given status. */ static QString statusIcon(PackageStatus status); /** Unicode glyph for the given feature type string. */ static QString featureGlyph(const QString& featureType); QList m_entries; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PACKAGEMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/zipextractor.cpp000066400000000000000000000113371516317240700321020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "zipextractor.h" #include #include namespace Avogadro::QtPlugins { ZipExtractor::ZipExtractor() {} ZipExtractor::~ZipExtractor() {} /** * Copies data from one archive to another. * * This is a convenience function to copy data from one archive to another. * It will copy the data block by block until it reaches the end of the * input archive. If there is an error reading or writing the data, it * will return the error code directly. */ int ZipExtractor::copyData(struct archive* ar, struct archive* aw) { int r; const void* buff; size_t size; la_int64_t offset; for (;;) { r = archive_read_data_block(ar, &buff, &size, &offset); if (r == ARCHIVE_EOF) return (ARCHIVE_OK); if (r < ARCHIVE_OK) return (r); r = archive_write_data_block(aw, buff, size, offset); if (r < ARCHIVE_OK) { qWarning() << archive_error_string(aw); return (r); } } } QList ZipExtractor::listFiles(const std::string& absolutepath) { struct archive* a; struct archive_entry* entry; int r; a = archive_read_new(); archive_read_support_format_zip(a); archive_read_support_filter_all(a); QList toReturn; if ((r = archive_read_open_filename(a, absolutepath.c_str(), 512))) { toReturn.append( QString(tr("ERROR: could not open zip file to list contents.\n(%1)", "%1 is the error message from libarchive")) .arg(archive_error_string(a))); archive_read_free(a); return toReturn; } for (;;) { r = archive_read_next_header(a, &entry); if (r < ARCHIVE_OK) break; toReturn.append(archive_entry_pathname(entry)); archive_read_data_skip(a); // Note 2 } archive_read_free(a); return toReturn; } // Extract method from libarchive docs, changed to return QList of errors QList ZipExtractor::extract(const std::string& extractdir, const std::string& absolutepath) { struct archive* a; struct archive* ext; struct archive_entry* entry; int flags; int r; QList toReturn; // Ensure extractdir ends with a path separator std::string extractPrefix = extractdir; if (!extractPrefix.empty() && extractPrefix.back() != '/') extractPrefix += '/'; /* Select which attributes we want to restore. */ flags = ARCHIVE_EXTRACT_TIME; flags |= ARCHIVE_EXTRACT_PERM; flags |= ARCHIVE_EXTRACT_ACL; flags |= ARCHIVE_EXTRACT_FFLAGS; a = archive_read_new(); archive_read_support_format_all(a); archive_read_support_filter_all(a); ext = archive_write_disk_new(); archive_write_disk_set_options(ext, flags); archive_write_disk_set_standard_lookup(ext); auto cleanup = [&]() { archive_read_free(a); archive_write_free(ext); }; if ((r = archive_read_open_filename(a, absolutepath.c_str(), 10240))) { toReturn.append( QString(tr("ERROR: could not open zip file to extract files.\n(%1)", "%1 is the error message from libarchive")) .arg(archive_error_string(a))); cleanup(); return toReturn; } for (;;) { r = archive_read_next_header(a, &entry); if (r == ARCHIVE_EOF) { break; } if (r < ARCHIVE_OK) qWarning() << archive_error_string(a); if (r < ARCHIVE_WARN) { toReturn.append( QString(tr("Warning: (%1)", "%1 is the message from libarchive")) .arg(archive_error_string(a))); cleanup(); return toReturn; } std::string newFilename = extractPrefix + archive_entry_pathname(entry); archive_entry_set_pathname(entry, newFilename.c_str()); r = archive_write_header(ext, entry); if (r < ARCHIVE_OK) qWarning() << archive_error_string(ext); else if (archive_entry_size(entry) > 0) { r = copyData(a, ext); if (r < ARCHIVE_OK) qWarning() << archive_error_string(ext); if (r < ARCHIVE_WARN) { toReturn.append( QString(tr("Warning: (%1)", "%1 is the message from libarchive")) .arg(archive_error_string(a))); cleanup(); return toReturn; } } r = archive_write_finish_entry(ext); if (r < ARCHIVE_OK) qWarning() << archive_error_string(ext); if (r < ARCHIVE_WARN) { toReturn.append( QString(tr("Warning: (%1)", "%1 is the message from libarchive")) .arg(archive_error_string(a))); cleanup(); return toReturn; } } cleanup(); return toReturn; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/packageinstaller/zipextractor.h000066400000000000000000000016511516317240700315450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ZIPEXTRACTOR_H #define AVOGADRO_QTPLUGINS_ZIPEXTRACTOR_H #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class ZipExtractor : public QObject { Q_OBJECT public: ZipExtractor(); ~ZipExtractor() override; int copyData(struct archive* ar, struct archive* aw); QList extract(const std::string& extractdir, const std::string& absolutepath); QList listFiles(const std::string& absolutepath); }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/000077500000000000000000000000001516317240700255145ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/CMakeLists.txt000066400000000000000000000006771516317240700302660ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS OpenGL OpenGLWidgets) endif() avogadro_plugin(PlayerTool "Player tool" ToolPlugin playertool.h PlayerTool "playertool.cpp" "" playertool.qrc ) target_link_libraries(PlayerTool PRIVATE gwavi gif-h Avogadro::QtOpenGL) if(QT_VERSION EQUAL 6) target_link_libraries(PlayerTool PRIVATE Qt6::OpenGL Qt6::OpenGLWidgets) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/player_dark.svg000066400000000000000000000012561516317240700305360ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/player_light.svg000066400000000000000000000012561516317240700307240ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/playertool.cpp000066400000000000000000000405311516317240700304150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "playertool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; PlayerTool::PlayerTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_currentFrame(0), m_toolWidget(nullptr), m_frameIdx(nullptr), m_firstFrameIdx(nullptr), m_lastFrameIdx(nullptr), m_slider(nullptr), m_dynamicBonding(nullptr), m_glWidget(nullptr), m_timer(this), m_animationFPS(nullptr), playButton(nullptr) { QString shortcut = tr("Ctrl+9", "control-key 9"); m_activateAction->setText(tr("Player")); m_activateAction->setToolTip(tr("Animation Tool\t(%1)").arg(shortcut)); setIcon(); } PlayerTool::~PlayerTool() {} void PlayerTool::setIcon(bool darkTheme) { if (darkTheme) { m_activateAction->setIcon(QIcon(":/icons/player_dark.svg")); } else { m_activateAction->setIcon(QIcon(":/icons/player_light.svg")); } } QWidget* PlayerTool::toolWidget() const { if (!m_toolWidget) { m_toolWidget = new QWidget(qobject_cast(parent())); auto* layout = new QVBoxLayout; auto* controls = new QHBoxLayout; controls->addStretch(1); auto* leftButton = new QPushButton("<"); connect(leftButton, SIGNAL(clicked()), SLOT(back())); controls->addWidget(leftButton); int maxFrame = m_molecule->coordinate3dCount(); if (maxFrame < 1) maxFrame = 1; auto* frameLabel = new QLabel(tr("Frame:")); controls->addWidget(frameLabel); m_frameIdx = new QSpinBox; m_frameIdx->setMinimum(1); m_frameIdx->setMaximum(maxFrame); m_frameIdx->setValue(1); m_frameIdx->setSuffix("/" + QString::number(maxFrame)); connect(m_frameIdx, SIGNAL(valueChanged(int)), SLOT(spinnerPositionChanged(int))); controls->addWidget(m_frameIdx); auto* rightButton = new QPushButton(">"); connect(rightButton, SIGNAL(clicked()), SLOT(forward())); controls->addWidget(rightButton); controls->addStretch(1); layout->addLayout(controls); auto* sliderLayout = new QHBoxLayout; m_slider = new QSlider(Qt::Horizontal); m_slider->setMinimum(0); m_slider->setTickInterval(1); connect(m_slider, SIGNAL(valueChanged(int)), SLOT(sliderPositionChanged(int))); sliderLayout->addWidget(m_slider); layout->addLayout(sliderLayout); if (maxFrame > 1) m_slider->setMaximum(maxFrame - 1); // start / end frame limits auto* frameLayout = new QHBoxLayout; auto* label3 = new QLabel(tr("Start:", "start or first frame index")); m_firstFrameIdx = new QSpinBox; m_firstFrameIdx->setMinimum(1); m_firstFrameIdx->setMaximum(maxFrame); m_firstFrameIdx->setValue(1); connect(m_firstFrameIdx, SIGNAL(valueChanged(int)), SLOT(firstFramePositionChanged(int))); frameLayout->addWidget(label3); frameLayout->addWidget(m_firstFrameIdx); // last frame index auto* label5 = new QLabel(tr("End:", "end or last frame index")); m_lastFrameIdx = new QSpinBox; m_lastFrameIdx->setMinimum(1); m_lastFrameIdx->setMaximum(maxFrame); m_lastFrameIdx->setValue(maxFrame); connect(m_lastFrameIdx, SIGNAL(valueChanged(int)), SLOT(lastFramePositionChanged(int))); frameLayout->addWidget(label5); frameLayout->addWidget(m_lastFrameIdx); layout->addLayout(frameLayout); auto* bonding = new QHBoxLayout; bonding->addStretch(1); m_dynamicBonding = new QCheckBox(tr("Dynamic bonding?")); m_dynamicBonding->setChecked(false); bonding->addWidget(m_dynamicBonding); bonding->addStretch(1); layout->addLayout(bonding); auto* frames = new QHBoxLayout; frames->addStretch(1); auto* label = new QLabel(tr("Frame rate:")); frames->addWidget(label); m_animationFPS = new QSpinBox; m_animationFPS->setValue(5); m_animationFPS->setMinimum(0); m_animationFPS->setMaximum(1000); m_animationFPS->setSuffix(tr(" FPS", "frames per second")); frames->addWidget(m_animationFPS); frames->addStretch(1); layout->addLayout(frames); auto* recordLayout = new QHBoxLayout; recordLayout->addStretch(1); playButton = new QPushButton(tr("Play")); playButton->setIcon(QIcon::fromTheme("media-playback-start")); connect(playButton, SIGNAL(clicked()), SLOT(play())); recordLayout->addWidget(playButton); auto* recordButton = new QPushButton(tr("Record…")); recordButton->setIcon(QIcon::fromTheme("media-record")); connect(recordButton, SIGNAL(clicked()), SLOT(recordMovie())); recordLayout->addWidget(recordButton); recordLayout->addStretch(1); layout->addLayout(recordLayout); m_toolWidget->setLayout(layout); } connect(&m_timer, SIGNAL(timeout()), SLOT(animate())); return m_toolWidget; } QUndoCommand* PlayerTool::mousePressEvent(QMouseEvent*) { return nullptr; } QUndoCommand* PlayerTool::mouseReleaseEvent(QMouseEvent*) { return nullptr; } QUndoCommand* PlayerTool::mouseDoubleClickEvent(QMouseEvent*) { return nullptr; } QUndoCommand* PlayerTool::keyPressEvent(QKeyEvent* e) { switch (e->key()) { case Qt::Key_Space: // start or stop play(); e->accept(); break; case Qt::Key_Right: // go forward if (e->modifiers() & Qt::ShiftModifier) animate(10); else animate(1); e->accept(); break; case Qt::Key_Left: // go back if (e->modifiers() & Qt::ShiftModifier) animate(-10); else animate(-1); e->accept(); break; case Qt::Key_Up: // go to first frame if (m_firstFrameIdx) animate(m_firstFrameIdx->value() - 1 - m_currentFrame); e->accept(); break; case Qt::Key_Down: // go to last frame if (m_lastFrameIdx) animate(m_lastFrameIdx->value() - 1 - m_currentFrame); e->accept(); break; default: e->ignore(); break; } return nullptr; } void PlayerTool::setActiveWidget(QWidget* widget) { m_glWidget = qobject_cast(widget); } void PlayerTool::back() { animate(-1); } void PlayerTool::forward() { animate(1); } void PlayerTool::play() { if (m_timer.isActive()) { stop(); return; } else { // change the button to stop / pause playButton->setText(tr("Pause")); playButton->setIcon(QIcon::fromTheme("media-playback-pause")); } auto fps = static_cast(m_animationFPS->value()); if (fps < 0.00001) fps = 5; int timeOut = static_cast(1000 / fps); if (m_timer.isActive()) m_timer.stop(); m_timer.start(timeOut); } void PlayerTool::stop() { m_timer.stop(); // set the button for play playButton->setText(tr("Play")); playButton->setIcon(QIcon::fromTheme("media-playback-start")); } void PlayerTool::animate(int advance) { // check the start and end boxes int firstFrame = m_firstFrameIdx->value() - 1; int lastFrame = m_lastFrameIdx->value() - 1; if (m_molecule) { if (m_currentFrame < m_molecule->coordinate3dCount() - advance && m_currentFrame + advance >= firstFrame && m_currentFrame + advance <= lastFrame) { m_currentFrame += advance; m_molecule->setCoordinate3d(m_currentFrame); } else { int end = std::min(static_cast(m_molecule->coordinate3dCount() - 1), lastFrame); m_currentFrame = advance > 0 ? firstFrame : end; m_molecule->setCoordinate3d(m_currentFrame); } if (m_dynamicBonding->isChecked()) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); // Bonds were modified, so use Added flag m_molecule->emitChanged(Molecule::Atoms | Molecule::Bonds | Molecule::Removed | Molecule::Added); } else { // Coordinate-only change, use Moved flag m_molecule->emitChanged(Molecule::Atoms | Molecule::Moved); } m_slider->setValue(m_currentFrame); m_frameIdx->setValue(m_currentFrame + 1); } } void PlayerTool::recordMovie() { // Qt 5.14 or later gives the more reliable way for multi-screen #if QT_VERSION >= 0x050E00 qreal scaling = m_glWidget->screen()->devicePixelRatio(); #else qreal scaling = qApp->devicePixelRatio(); #endif int EXPORT_WIDTH = m_glWidget->width() * scaling; int EXPORT_HEIGHT = m_glWidget->height() * scaling; if (m_timer.isActive()) m_timer.stop(); QString baseFileName; if (m_molecule) baseFileName = m_molecule->data("fileName").toString().c_str(); // TODO: check path for avconv and disable MP4 if not found // TODO: add PNG as an export (i.e., pile of PNG for later use) QString selfFilter = tr("Movie (*.mp4)"); QString baseName = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Export Bitmap Graphics"), "", tr("Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)"), &selfFilter); if (baseName.isEmpty()) return; QFileInfo fileInfo(baseName); if (!fileInfo.suffix().isEmpty()) baseName = fileInfo.absolutePath() + "/" + fileInfo.baseName(); bool bonding = m_dynamicBonding->isChecked(); int numberLength = static_cast( ceil(log10(static_cast(m_molecule->coordinate3dCount()) + 1))); // m_glWidget->resize(EXPORT_WIDTH, EXPORT_HEIGHT); if (selfFilter == tr("GIF (*.gif)")) { GifWriter writer; // GIF only supports up to 100 FPS, this minimizes breakage when FPS>100 if (m_animationFPS->value() > 100) { QMessageBox::warning( qobject_cast(parent()), tr("GIF FPS support warning"), tr("The GIF file format does not support frame rates over 100 FPS.")); } GifBegin(&writer, (baseName + ".gif").toLatin1().data(), EXPORT_WIDTH, EXPORT_HEIGHT, 100 / std::min(m_animationFPS->value(), 100)); for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { qApp->processEvents(); m_molecule->setCoordinate3d(i); if (bonding) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); QImage exportImage; m_glWidget->raise(); m_glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = m_glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(m_glWidget->winId()); exportImage = pixmap.toImage(); } int frameWidth = exportImage.width(); int frameHeight = exportImage.height(); int numbPixels = frameWidth * frameHeight; auto* imageData = new uint8_t[numbPixels * 4]; int imageIndex = 0; for (int j = 0; j < frameHeight; ++j) { for (int k = 0; k < frameWidth; ++k) { QColor color = exportImage.pixel(k, j); imageData[imageIndex] = (uint8_t)color.red(); imageData[imageIndex + 1] = (uint8_t)color.green(); imageData[imageIndex + 2] = (uint8_t)color.blue(); imageData[imageIndex + 3] = (uint8_t)color.alpha(); imageIndex += 4; } } GifWriteFrame(&writer, imageData, EXPORT_WIDTH, EXPORT_HEIGHT, 100 / std::min(m_animationFPS->value(), 100)); delete[] imageData; } GifEnd(&writer); } else if (selfFilter == tr("Movie (*.avi)")) { gwavi_t* gwavi; gwavi = gwavi_open((baseName + ".avi").toLatin1().data(), EXPORT_WIDTH, EXPORT_HEIGHT, "MJPG", m_animationFPS->value(), nullptr); for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { qApp->processEvents(); m_molecule->setCoordinate3d(i); if (bonding) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); QImage exportImage; m_glWidget->raise(); m_glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = m_glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(m_glWidget->winId()); exportImage = pixmap.toImage(); } QByteArray ba; QBuffer buffer(&ba); buffer.open(QIODevice::WriteOnly); exportImage.save(&buffer, "JPG"); if (gwavi_add_frame( gwavi, reinterpret_cast(buffer.data().data()), buffer.size()) == -1) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), tr("Error: cannot add frame to video.")); } } gwavi_close(gwavi); } else if (selfFilter == tr("Movie (*.mp4)")) { for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { qApp->processEvents(); m_molecule->setCoordinate3d(i); if (bonding) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); QString fileName = QString::number(i); while (fileName.length() < numberLength) fileName.prepend('0'); fileName.prepend(baseName); fileName.append(".png"); QImage exportImage; m_glWidget->raise(); m_glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = m_glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(m_glWidget->winId()); exportImage = pixmap.toImage(); } if (!exportImage.save(fileName)) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), tr("Cannot save file %1.").arg(fileName)); return; } QProcess proc; QStringList args; args << "-y" << "-r" << QString::number(m_animationFPS->value()) << "-i" << baseName + "%0" + QString::number(numberLength) + "d.png" << "-c:v" << "libx264" << "-r" << "30" << "-pix_fmt" << "yuv420p" << baseName + ".mp4"; proc.execute("avconv", args); } } } void PlayerTool::sliderPositionChanged(int k) { animate(k - m_currentFrame); } void PlayerTool::spinnerPositionChanged(int k) { animate(k - m_currentFrame - 1); } void PlayerTool::firstFramePositionChanged(int k) { if (k < 1 || k > m_molecule->coordinate3dCount()) { m_firstFrameIdx->setValue(1); return; } m_frameIdx->setMinimum(k); if (m_frameIdx->value() < k) m_frameIdx->setValue(k); m_lastFrameIdx->setMinimum(k); if (m_lastFrameIdx->value() < k) m_lastFrameIdx->setValue(k); } void PlayerTool::lastFramePositionChanged(int k) { if (k < 1 || k > m_molecule->coordinate3dCount()) { m_lastFrameIdx->setValue(m_molecule->coordinate3dCount()); return; } m_frameIdx->setMaximum(k); if (m_frameIdx->value() > k) m_frameIdx->setValue(k); } void PlayerTool::updateLimits() { int coordCount = m_molecule->coordinate3dCount(); if (coordCount > 1 && m_slider) m_slider->setMaximum(coordCount - 1); if (coordCount > 1 && m_frameIdx) { m_frameIdx->setMaximum(coordCount); m_frameIdx->setSuffix("/" + QString::number(coordCount)); } if (coordCount > 1 && m_firstFrameIdx) m_firstFrameIdx->setMaximum(coordCount); if (coordCount > 1 && m_lastFrameIdx) m_lastFrameIdx->setMaximum(coordCount); if (m_firstFrameIdx) m_firstFrameIdx->setValue(1); if (m_lastFrameIdx) m_lastFrameIdx->setValue(coordCount); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/playertool.h000066400000000000000000000052571516317240700300700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLAYERTOOL_H #define AVOGADRO_QTPLUGINS_PLAYERTOOL_H #include #include #include class QLabel; class QSpinBox; class QCheckBox; class QOpenGLWidget; class QPushButton; class QSlider; namespace Avogadro { namespace QtPlugins { /** * @brief PlayerTool enables playback of trajectories. */ class PlayerTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit PlayerTool(QObject* p = nullptr); ~PlayerTool() override; QString name() const override { return tr("Player tool"); } QString description() const override { return tr("Play back trajectories"); } unsigned char priority() const override { return 80; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; public slots: void setMolecule(QtGui::Molecule*) override; void setGLRenderer(Rendering::GLRenderer* renderer) override; void setActiveWidget(QWidget* widget) override; protected slots: void back(); void forward(); void play(); void stop(); void animate(int advance = 1); void recordMovie(); void sliderPositionChanged(int k); void spinnerPositionChanged(int k); void firstFramePositionChanged(int k); void lastFramePositionChanged(int k); void updateLimits(); private: QAction* m_activateAction; QtGui::Molecule* m_molecule; Rendering::GLRenderer* m_renderer; int m_currentFrame; mutable QWidget* m_toolWidget; QTimer m_timer; mutable QSpinBox* m_animationFPS; mutable QSpinBox* m_frameIdx; mutable QSpinBox* m_firstFrameIdx; mutable QSpinBox* m_lastFrameIdx; mutable QCheckBox* m_dynamicBonding; mutable QOpenGLWidget* m_glWidget; mutable QSlider* m_slider; mutable QPushButton* playButton; }; inline void PlayerTool::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { m_molecule = mol; m_currentFrame = 0; updateLimits(); } } inline void PlayerTool::setGLRenderer(Rendering::GLRenderer* renderer) { m_renderer = renderer; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLAYERTOOL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/playertool/playertool.qrc000066400000000000000000000002111516317240700304070ustar00rootroot00000000000000 player_light.svg player_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotconformer/000077500000000000000000000000001516317240700262135ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotconformer/CMakeLists.txt000066400000000000000000000002341516317240700307520ustar00rootroot00000000000000 avogadro_plugin(PlotConformer "Create Conformer plots (RMSD and Energy)." ExtensionPlugin plotconformer.h PlotConformer plotconformer.cpp "" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotconformer/plotconformer.cpp000066400000000000000000000256371516317240700316250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "plotconformer.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { constexpr double HartreeToKcal = 627.5094740631; constexpr double EvToKcal = 23.06054; constexpr double KcalToKJ = 4.184; // by definition using Core::Array; PlotConformer::PlotConformer(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Plot Conformer Data…")); connect(m_displayDialogAction, &QAction::triggered, this, &PlotConformer::displayDialog); m_actions.push_back(m_displayDialogAction); m_displayDialogAction->setProperty("menu priority", -890); updateActions(); } PlotConformer::~PlotConformer() = default; QList PlotConformer::actions() const { return m_actions; } QStringList PlotConformer::menuPath(QAction*) const { return QStringList() << tr("&Analyze"); } void PlotConformer::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void PlotConformer::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } void PlotConformer::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if multimolecule. if (m_molecule->coordinate3dCount() > 1) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void PlotConformer::clicked(float x, float y, Qt::KeyboardModifiers modifiers) { // switch to the closest conformer to x int conformer = static_cast(x); if (conformer < 0) conformer = 0; if (conformer >= m_molecule->coordinate3dCount()) conformer = m_molecule->coordinate3dCount() - 1; m_currentFrame = conformer; m_molecule->setCoordinate3d(conformer); m_molecule->emitChanged(Molecule::Atoms); updatePlot(); } void PlotConformer::displayDialog() { bool hasEnergies = (m_molecule->hasData("energies")); // RMSD forces for each coordinate set bool hasForces = (m_molecule->hasData("forces")); // and velocities for MD bool hasVelocities = (m_molecule->hasData("velocities")); if (!m_dialog) { // Create the dialog m_dialog.reset(new QDialog(qobject_cast(this->parent()))); m_dialog->setWindowTitle(tr("Conformer Analysis")); m_dialog->resize(600, 500); // Create main layout QVBoxLayout* mainLayout = new QVBoxLayout(m_dialog.get()); // Create chart widget m_chartWidget = new QtGui::ChartWidget(m_dialog.get()); connect(m_chartWidget, &QtGui::ChartWidget::clicked, this, &PlotConformer::clicked); mainLayout->addWidget(m_chartWidget); // Create property selection layout QHBoxLayout* propertyLayout = new QHBoxLayout(); QLabel* propertyLabel = new QLabel(tr("Plot Type:"), m_dialog.get()); m_propertyCombo = new QComboBox(m_dialog.get()); m_propertyCombo->addItem(tr("RMSD"), "rmsd"); if (hasEnergies) m_propertyCombo->addItem(tr("Energy"), "energy"); if (hasForces) m_propertyCombo->addItem(tr("Forces"), "forces"); if (hasVelocities) m_propertyCombo->addItem(tr("Velocities"), "velocities"); propertyLayout->addWidget(propertyLabel); propertyLayout->addWidget(m_propertyCombo); propertyLayout->addStretch(); mainLayout->addLayout(propertyLayout); // Create energy conversion layout QHBoxLayout* conversionLayout = new QHBoxLayout(); QLabel* conversionLabel = new QLabel(tr("Energy Units:"), m_dialog.get()); m_unitsCombo = new QComboBox(m_dialog.get()); m_unitsCombo->addItem(QStringLiteral("Hartree"), HartreeToKcal); m_unitsCombo->addItem(QStringLiteral("eV"), EvToKcal); m_unitsCombo->addItem(QStringLiteral("kcal/mol"), 1.0); m_unitsCombo->addItem(QStringLiteral("kJ/mol"), KcalToKJ); if (!hasEnergies) m_unitsCombo->setEnabled(false); QLabel* targetLabel = new QLabel(tr("to"), m_dialog.get()); m_targetUnitsCombo = new QComboBox(m_dialog.get()); m_targetUnitsCombo->addItem(QStringLiteral("kcal/mol"), 1.0); m_targetUnitsCombo->addItem(QStringLiteral("kJ/mol"), KcalToKJ); m_targetUnitsCombo->addItem(QStringLiteral("eV"), 1.0 / EvToKcal); m_targetUnitsCombo->addItem(QStringLiteral("Hartree"), 1.0 / HartreeToKcal); if (!hasEnergies) m_targetUnitsCombo->setEnabled(false); conversionLayout->addWidget(conversionLabel); conversionLayout->addWidget(m_unitsCombo); conversionLayout->addWidget(targetLabel); conversionLayout->addWidget(m_targetUnitsCombo); conversionLayout->addStretch(); mainLayout->addLayout(conversionLayout); // Connect signals for updates connect(m_propertyCombo, QOverload::of(&QComboBox::currentIndexChanged), this, &PlotConformer::updatePlot); connect(m_unitsCombo, QOverload::of(&QComboBox::currentIndexChanged), this, &PlotConformer::updatePlot); connect(m_targetUnitsCombo, QOverload::of(&QComboBox::currentIndexChanged), this, &PlotConformer::updatePlot); } updatePlot(); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } void PlotConformer::updatePlot() { if (!m_molecule || !m_chartWidget) return; DataSeries xData, yData; QString plotType = m_propertyCombo->currentData().toString(); if (plotType == "rmsd") { generateRmsdCurve(xData, yData); } else if (plotType == "energy" && m_molecule->hasData("energies")) { generateEnergyCurve(xData, yData); } else if (plotType == "forces" && m_molecule->hasData("forces")) { generateForcesCurve(xData, yData); } else if (plotType == "velocities" && m_molecule->hasData("velocities")) { generateVelocitiesCurve(xData, yData); } // Now generate a plot with the data float min = *std::min_element(yData.begin(), yData.end()); float max = *std::max_element(yData.begin(), yData.end()); const char* xTitle = "Frame"; QString yTitle; if (plotType == "rmsd") { yTitle = tr("RMSD (Å)"); } else if (plotType == "energy" && m_molecule->hasData("energies")) { QString targetUnit = m_targetUnitsCombo->currentText(); yTitle = tr("Relative Energy (%1)").arg(targetUnit); } else if (plotType == "forces" && m_molecule->hasData("forces")) { // TODO: Add units yTitle = tr("Forces (N)"); } else if (plotType == "velocities" && m_molecule->hasData("velocities")) { yTitle = tr("Velocities (m/s)"); } m_chartWidget->clearPlots(); m_chartWidget->setShowPoints(true); m_chartWidget->setLegendLocation(QtGui::ChartWidget::LegendLocation::None); m_chartWidget->addPlot(xData, yData, QtGui::color4ub{ 255, 0, 0, 255 }); // Add a marker for the current frame if (m_currentFrame >= 0 && m_currentFrame < static_cast(xData.size())) { DataSeries markerX = { xData[m_currentFrame] }; DataSeries markerY = { yData[m_currentFrame] }; m_chartWidget->addPlot(markerX, markerY, QtGui::color4ub{ 255, 165, 0, 255 }); } // make sure to pad the axes slightly m_chartWidget->setXAxisLimits( -0.1, static_cast(m_molecule->coordinate3dCount()) - 0.9); m_chartWidget->setYAxisLimits(min, max * 1.1f); m_chartWidget->setXAxisTitle(xTitle); m_chartWidget->setYAxisTitle(yTitle); } void PlotConformer::generateRmsdCurve(DataSeries& x, DataSeries& y) { if (!m_molecule) return; m_molecule->setCoordinate3d(0); Array ref = m_molecule->atomPositions3d(); for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { m_molecule->setCoordinate3d(i); Array positions = m_molecule->atomPositions3d(); double sum = 0; for (size_t j = 0; j < positions.size(); ++j) { sum += (positions[j][0] - ref[j][0]) * (positions[j][0] - ref[j][0]) + (positions[j][1] - ref[j][1]) * (positions[j][1] - ref[j][1]) + (positions[j][2] - ref[j][2]) * (positions[j][2] - ref[j][2]); } sum = sqrt(sum / m_molecule->coordinate3dCount()); x.push_back(i); y.push_back(sum); } } void PlotConformer::generateEnergyCurve(DataSeries& x, DataSeries& y) { // plot relative energies so get the minimum first if (m_molecule == nullptr || !m_molecule->hasData("energies")) { return; } std::vector energies = m_molecule->data("energies").toList(); // calculate the minimum double minEnergy = std::numeric_limits::max(); for (double e : energies) { minEnergy = std::min(minEnergy, e); } // Get conversion factors double fromFactor = m_unitsCombo->currentData().toDouble(); double toFactor = m_targetUnitsCombo->currentData().toDouble(); // okay, now loop through to generate the curve for (int entry = 0; entry < energies.size(); entry++) { double relativeE = energies[entry] - minEnergy; // Convert: first to kcal/mol, then to target units relativeE = relativeE * fromFactor * toFactor; x.push_back(static_cast(entry)); y.push_back(relativeE); } } void PlotConformer::generateForcesCurve(DataSeries& x, DataSeries& y) { if (m_molecule == nullptr || !m_molecule->hasData("forces")) { return; } std::vector forces = m_molecule->data("forces").toList(); // okay, now loop through to generate the curve for (int entry = 0; entry < forces.size(); entry++) { // TODO : Add units x.push_back(static_cast(entry)); y.push_back(forces[entry]); } } void PlotConformer::generateVelocitiesCurve(DataSeries& x, DataSeries& y) { if (m_molecule == nullptr || !m_molecule->hasData("velocities")) { return; } std::vector velocities = m_molecule->data("velocities").toList(); // okay, now loop through to generate the curve for (int entry = 0; entry < velocities.size(); entry++) { // TODO : Add units x.push_back(static_cast(entry)); y.push_back(velocities[entry]); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotconformer/plotconformer.h000066400000000000000000000044131516317240700312570ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLOTCONFORMER_H #define AVOGADRO_QTPLUGINS_PLOTCONFORMER_H #include #include #include #include namespace Avogadro { namespace QtGui { class ChartWidget; } namespace QtPlugins { using DataSeries = std::vector; /** * @brief Generate and plot conformer data (RMSD or energy) */ class PlotConformer : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PlotConformer(QObject* parent_ = nullptr); ~PlotConformer() override; QString name() const override { return tr("PlotConformer"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayDialog(); void updatePlot(); void clicked(float x, float y, Qt::KeyboardModifiers modifiers); private: // Generate RMSD data from a coordinate set // Writes the results to @p x and @p y void generateRmsdCurve(DataSeries& x, DataSeries& y); // Generate a relative energy data from a coordinate set void generateEnergyCurve(DataSeries& x, DataSeries& y); // Generate a forces data from a coordinate set void generateForcesCurve(DataSeries& x, DataSeries& y); // Generate a velocities data from a coordinate set void generateVelocitiesCurve(DataSeries& x, DataSeries& y); QList m_actions; QtGui::Molecule* m_molecule; QAction* m_displayDialogAction; std::unique_ptr m_dialog; QtGui::ChartWidget* m_chartWidget; QComboBox* m_propertyCombo; QComboBox* m_unitsCombo; QComboBox* m_targetUnitsCombo; int m_currentFrame = 0; }; inline QString PlotConformer::description() const { return tr("Generate and plot conformer data (RMSD or energy)."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLOTCONFORMER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/000077500000000000000000000000001516317240700247725ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/CMakeLists.txt000066400000000000000000000004501516317240700275310ustar00rootroot00000000000000set(plotpdf_srcs plotpdf.cpp pdfoptionsdialog.cpp ) set(plotpdf_uis pdfoptionsdialog.ui ) avogadro_plugin(PlotPdf "Create a pair distribution plot." ExtensionPlugin plotpdf.h PlotPdf "${plotpdf_srcs}" "${plotpdf_uis}" ) # target_link_libraries(PlotPdf PRIVATE Avogadro::Vtk) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/pdfoptionsdialog.cpp000066400000000000000000000023451516317240700310470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pdfoptionsdialog.h" #include "ui_pdfoptionsdialog.h" #include namespace Avogadro::QtPlugins { PdfOptionsDialog::PdfOptionsDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::PdfOptionsDialog) { m_ui->setupUi(this); // Read the settings QSettings settings; m_ui->spin_maxRadius->setValue( settings.value("plotpdfcurveoptions/maxRadius", 10.0).toDouble()); m_ui->spin_step->setValue( settings.value("plotpdfcurveoptions/step", 0.1).toDouble()); } PdfOptionsDialog::~PdfOptionsDialog() = default; double PdfOptionsDialog::maxRadius() const { return m_ui->spin_maxRadius->value(); } double PdfOptionsDialog::step() const { return m_ui->spin_step->value(); } void PdfOptionsDialog::accept() { QSettings settings; settings.setValue("plotpdfcurveoptions/maxRadius", maxRadius()); settings.setValue("plotpdfcurveoptions/step", step()); QDialog::accept(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/pdfoptionsdialog.h000066400000000000000000000016761516317240700305220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PDFOPTIONSDIALOG_H #define AVOGADRO_QTPLUGINS_PDFOPTIONSDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class PdfOptionsDialog; } /** * @brief Dialog to set options for PDF curve plotting. */ class PdfOptionsDialog : public QDialog { Q_OBJECT public: explicit PdfOptionsDialog(QWidget* parent = nullptr); ~PdfOptionsDialog() override; double maxRadius() const; double step() const; protected slots: void accept() override; private: QScopedPointer m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PDFOPTIONSDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/pdfoptionsdialog.ui000066400000000000000000000064161516317240700307050ustar00rootroot00000000000000 Avogadro::QtPlugins::PdfOptionsDialog 0 0 324 145 PDF Plot Options Maximum Radius: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 5 0.000010000000000 100.000000000000000 10.000000000000000 Step (dr): Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Å 5 0.000010000000000 100.000000000000000 10.000000000000000 QDialogButtonBox::StandardButton::Cancel|QDialogButtonBox::StandardButton::Ok spin_maxRadius spin_step buttonBox accepted() Avogadro::QtPlugins::PdfOptionsDialog accept() 226 204 161 118 buttonBox rejected() Avogadro::QtPlugins::PdfOptionsDialog reject() 226 204 161 118 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/plotpdf.cpp000066400000000000000000000133441516317240700271530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include "pdfoptionsdialog.h" #include "plotpdf.h" using Avogadro::Core::CrystalTools; using Avogadro::Core::UnitCell; using Avogadro::QtGui::Molecule; using std::map; namespace Avogadro::QtPlugins { using Core::Array; PlotPdf::PlotPdf(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_pdfOptionsDialog(new PdfOptionsDialog(qobject_cast(parent()))), m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Plot Pair Distribution Function…")); connect(m_displayDialogAction.data(), &QAction::triggered, this, &PlotPdf::displayDialog); m_actions.push_back(m_displayDialogAction.data()); m_displayDialogAction->setProperty("menu priority", 70); updateActions(); } PlotPdf::~PlotPdf() = default; QList PlotPdf::actions() const { return m_actions; } QStringList PlotPdf::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void PlotPdf::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void PlotPdf::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void PlotPdf::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if there is a unit cell if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void PlotPdf::displayDialog() { // Do nothing if the user cancels if (m_pdfOptionsDialog->exec() != QDialog::Accepted) return; // Otherwise, fetch the options and perform the run double maxRadius = m_pdfOptionsDialog->maxRadius(); double step = m_pdfOptionsDialog->step(); // size_t numpoints = m_pdfOptionsDialog->numDataPoints(); // double max2theta = m_pdfOptionsDialog->max2Theta(); PdfData results; QString err; if (!generatePdfPattern(*m_molecule, results, err, maxRadius, step)) { QMessageBox::critical(qobject_cast(parent()), tr("Failed to generate PDF pattern"), tr("Error message: ") + err); return; } // Now generate a plot with the data std::vector xData; std::vector yData; for (const auto& item : results) { xData.push_back(item.first); yData.push_back(item.second); } const char* xTitle = "r (Å)"; const char* yTitle = "g(r)"; const char* windowName = "Pair Distribution Function"; if (!m_chartDialog) m_chartDialog.reset( new QtGui::ChartDialog(qobject_cast(this->parent()))); m_chartDialog->setWindowTitle(windowName); auto* chart = m_chartDialog->chartWidget(); chart->clearPlots(); chart->addPlot(xData, yData, QtGui::color4ub{ 255, 0, 0, 255 }); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); m_chartDialog->show(); m_chartDialog->raise(); m_chartDialog->activateWindow(); } bool PlotPdf::generatePdfPattern(QtGui::Molecule& mol, PdfData& results, QString& err, double maxRadius, double step) { Array refAtomCoords = mol.atomPositions3d(); size_t i, j; UnitCell* uc = mol.unitCell(); if (!uc) { err = "No unit cell found."; return false; } size_t a = static_cast(maxRadius / uc->a()) + 1; size_t b = static_cast(maxRadius / uc->b()) + 1; size_t c = static_cast(maxRadius / uc->c()) + 1; Vector3 disp = a * uc->aVector() + b * uc->bVector() + c * uc->cVector(); for (i = 0; i < refAtomCoords.size(); ++i) { refAtomCoords[i] += disp; } Molecule newMolecule = mol; CrystalTools::buildSupercell(newMolecule, 2 * a + 1, 2 * b + 1, 2 * c + 1); Array newAtomCoords = newMolecule.atomPositions3d(); map pdfCount; double dist, rStep = step; size_t k, binIdx; for (i = 0; i < refAtomCoords.size(); ++i) { for (j = 0; j < newAtomCoords.size(); ++j) { dist = (refAtomCoords.at(i) - newAtomCoords.at(j)).norm(); binIdx = static_cast(dist / rStep); if (pdfCount.find(binIdx) == pdfCount.end()) { pdfCount.insert(std::make_pair(binIdx, 1)); } else { pdfCount[binIdx]++; } } } for (k = 0; k < static_cast(maxRadius / rStep); k++) { if (pdfCount.find(k) == pdfCount.end()) { results.push_back(std::make_pair(k * rStep, 0.0)); } else { results.push_back(std::make_pair( k * rStep, pdfCount[k] * newMolecule.unitCell()->volume() / (4 * M_PI * pow(k * rStep, 2) * rStep * refAtomCoords.size() * newAtomCoords.size()))); } } return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotpdf/plotpdf.h000066400000000000000000000040451516317240700266160ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLOTPDF_H #define AVOGADRO_QTPLUGINS_PLOTPDF_H #include namespace Avogadro { namespace QtGui { class ChartDialog; } namespace QtPlugins { class PdfOptionsDialog; // First item in the pair is radius. Second is the pdf value. typedef std::vector> PdfData; /** * @brief Generate and plot a PDF curve */ class PlotPdf : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PlotPdf(QObject* parent_ = nullptr); ~PlotPdf() override; QString name() const override { return tr("PlotPdf"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayDialog(); private: // Generate Pdf curve from a crystal // Writes the results to @p results, which is a vector of pairs of doubles // (see definition above). // err will be set to an error string if the function fails. // radius is in Angstroms. static bool generatePdfPattern(QtGui::Molecule& mol, PdfData& results, QString& err, double maxRadius = 10.0, double step = 0.1); QList m_actions; QtGui::Molecule* m_molecule; QScopedPointer m_pdfOptionsDialog; QScopedPointer m_displayDialogAction; QScopedPointer m_chartDialog; }; inline QString PlotPdf::description() const { return tr("Generate and plot a Pair Distribution Function curve."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLOTPDF_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/000077500000000000000000000000001516317240700250165ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/CMakeLists.txt000066400000000000000000000013011516317240700275510ustar00rootroot00000000000000# Download the executable if we are not to use the system one if(APPLE OR WIN32 OR INSTALL_BUNDLE_FILES) option(USE_SYSTEM_GENXRDPATTERN "Use the system genxrdpattern" OFF) else() option(USE_SYSTEM_GENXRDPATTERN "Use the system genxrdpattern" ON) endif() mark_as_advanced(USE_SYSTEM_GENXRDPATTERN) if(NOT USE_SYSTEM_GENXRDPATTERN) include(DownloadGenXrdPattern) DownloadGenXrdPattern() endif() set(plotxrd_srcs plotxrd.cpp xrdoptionsdialog.cpp ) set(plotxrd_uis xrdoptionsdialog.ui ) avogadro_plugin(PlotXrd "Use ObjCryst++ to create an XRD plot." ExtensionPlugin plotxrd.h PlotXrd "${plotxrd_srcs}" "${plotxrd_uis}" ) # target_link_libraries(PlotXrd PRIVATE Avogadro::Vtk) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/plotxrd.cpp000066400000000000000000000211411516317240700272150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "plotxrd.h" #include "xrdoptionsdialog.h" using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { PlotXrd::PlotXrd(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_xrdOptionsDialog(new XrdOptionsDialog(qobject_cast(parent()))), m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Plot Theoretical XRD Pattern…")); connect(m_displayDialogAction.get(), &QAction::triggered, this, &PlotXrd::displayDialog); m_actions.push_back(m_displayDialogAction.get()); m_displayDialogAction->setProperty("menu priority", 90); updateActions(); } PlotXrd::~PlotXrd() = default; QList PlotXrd::actions() const { return m_actions; } QStringList PlotXrd::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void PlotXrd::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void PlotXrd::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void PlotXrd::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if there is a unit cell if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void PlotXrd::displayDialog() { // check if there's already an XRD in the molecule spectra bool hasXRD = false; std::vector xData; std::vector yData; for (const auto& type : m_molecule->spectraTypes()) { if (type == "XRD" || type == "xrd") { hasXRD = true; break; } } if (hasXRD) { // make sure it works auto spectra = m_molecule->spectra("XRD"); // should be a MatrixXd with 2 columns if (spectra.cols() != 2 || spectra.rows() < 2) { hasXRD = false; // re-generate it } else { for (int i = 0; i < spectra.rows(); i++) { xData.push_back(spectra(i, 0)); yData.push_back(spectra(i, 1)); } } } if (!hasXRD) { // we have to generate the XRD pattern // Do nothing if the user cancels if (m_xrdOptionsDialog->exec() != QDialog::Accepted) return; // Otherwise, fetch the options and perform the run double wavelength = m_xrdOptionsDialog->wavelength(); double peakwidth = m_xrdOptionsDialog->peakWidth(); size_t numpoints = m_xrdOptionsDialog->numDataPoints(); double max2theta = m_xrdOptionsDialog->max2Theta(); QString err; XrdData results; if (!generateXrdPattern(*m_molecule, results, err, wavelength, peakwidth, numpoints, max2theta)) { QMessageBox::critical(qobject_cast(parent()), tr("Failed to generate XRD pattern"), tr("Error message: ") + err); return; } // Now generate a plot with the data for (const auto& item : results) { xData.push_back(item.first); yData.push_back(item.second); } } QString xTitle = "2θ (°)"; QString yTitle = "Intensity"; const char* windowName = "Theoretical XRD Pattern"; if (!m_chartDialog) m_chartDialog.reset( new QtGui::ChartDialog(qobject_cast(this->parent()))); m_chartDialog->setWindowTitle(windowName); auto* chart = m_chartDialog->chartWidget(); chart->clearPlots(); chart->addPlot(xData, yData, QtGui::color4ub{ 255, 0, 0, 255 }); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); m_chartDialog->show(); m_chartDialog->raise(); m_chartDialog->activateWindow(); } bool PlotXrd::generateXrdPattern(const QtGui::Molecule& mol, XrdData& results, QString& err, double wavelength, double peakwidth, size_t numpoints, double max2theta) { // Get the molecule as a cif file std::string cifData; if (!Io::FileFormatManager::instance().writeString(mol, cifData, "cif")) { err = tr("Failed to convert molecule to CIF format."); qDebug() << "Error in" << __FUNCTION__ << ":" << err; return false; } // Now, execute genXrdPattern with the given inputs QStringList args; args << "--read-from-stdin" << "--wavelength=" + QString::number(wavelength) << "--peakwidth=" + QString::number(peakwidth) << "--numpoints=" + QString::number(numpoints) << "--max2theta=" + QString::number(max2theta); QByteArray output; if (!executeGenXrdPattern(args, cifData.c_str(), output, err)) { qDebug() << "Error in" << __FUNCTION__ << ":" << err; return false; } // Store the results results.clear(); // Find the section of data in the output bool dataStarted = false; QStringList lines = QString(output).split(QRegularExpression("[\r\n]"), Qt::SkipEmptyParts); for (const auto& line : lines) { if (!dataStarted && line.contains("# 2Theta/TOF ICalc")) { dataStarted = true; continue; } if (dataStarted) { QStringList rowData = line.split(" ", Qt::SkipEmptyParts); if (rowData.size() != 2) { err = tr("Data read from genXrdPattern appears to be corrupt!"); qDebug() << "Error in" << __FUNCTION__ << err; qDebug() << "Data is:"; for (const auto& lineTmp : lines) qDebug() << lineTmp; return false; } results.push_back( std::make_pair(rowData[0].toDouble(), rowData[1].toDouble())); } } return true; } bool PlotXrd::executeGenXrdPattern(const QStringList& args, const QByteArray& input, QByteArray& output, QString& err) { QString program; // If the GENXRDPATTERN_EXECUTABLE environment variable is set, then // use that QByteArray xrdExec = qgetenv("GENXRDPATTERN_EXECUTABLE"); if (!xrdExec.isEmpty()) { program = xrdExec; } else { // Otherwise, search in the current directory, and then ../bin #ifdef _WIN32 QString executable = "genXrdPattern.exe"; #else QString executable = "genXrdPattern"; #endif program = QtGui::Utilities::findExecutablePath(executable); if (program.isEmpty()) { err = tr("Error: could not find genXrdPattern executable!"); qDebug() << err; return false; } else { program += "/" + executable; } } QProcess p; p.start(program, args); if (!p.waitForStarted()) { err = tr("Error: " + program.toLocal8Bit() + " failed to start"); qDebug() << err; return false; } // Give it the input! p.write(input.data()); // Close the write channel p.closeWriteChannel(); if (!p.waitForFinished()) { err = tr("Error: " + program.toLocal8Bit() + " failed to finish"); qDebug() << err; output = p.readAll(); qDebug() << "Output is as follows:\n" << output; return false; } int exitStatus = p.exitStatus(); output = p.readAll(); if (exitStatus == QProcess::CrashExit) { err = tr("Error: " + program.toLocal8Bit() + " crashed!"); qDebug() << err; qDebug() << "Output is as follows:\n" << output; return false; } if (exitStatus != QProcess::NormalExit) { err = tr("Error: " + program.toLocal8Bit() + " finished abnormally with exit code " + QString::number(exitStatus).toLocal8Bit()); qDebug() << err; qDebug() << "Output is as follows:\n" << output; return false; } // We did it! return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/plotxrd.h000066400000000000000000000055011516317240700266640ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLOTXRD_H #define AVOGADRO_QTPLUGINS_PLOTXRD_H #include #include // Forward declarations class QByteArray; namespace Avogadro { namespace QtGui { class ChartDialog; } namespace QtPlugins { class XrdOptionsDialog; // First item in the pair is 2*theta. Second is the intensity. typedef std::vector> XrdData; /** * @brief Generate and plot a theoretical XRD pattern using ObjCryst++ */ class PlotXrd : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PlotXrd(QObject* parent_ = nullptr); ~PlotXrd() override; QString name() const override { return tr("PlotXrd"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayDialog(); private: // Generate an Xrd pattern from a crystal // Writes the results to @p results, which is a vector of pairs of doubles // (see definition above). // err will be set to an error string if the function fails. // wavelength is an Angstroms. // peakwidth is in degrees. // numpoints is an unsigned integer. // max2theta is in degrees. static bool generateXrdPattern(const QtGui::Molecule& mol, XrdData& results, QString& err, double wavelength = 1.505600, double peakwidth = 0.529580, size_t numpoints = 1000, double max2theta = 162.0); // Use QProcess to execute genXrdPattern // If the GENXRDPATTERN_EXECUTABLE environment variable is set, that will be // used for the executable. Otherwise, it will search for the executable in // some common places and use it if it can be found. static bool executeGenXrdPattern(const QStringList& args, const QByteArray& input, QByteArray& output, QString& err); QList m_actions; QtGui::Molecule* m_molecule; std::unique_ptr m_xrdOptionsDialog; std::unique_ptr m_displayDialogAction; QScopedPointer m_chartDialog; }; inline QString PlotXrd::description() const { return tr("Generate and plot a theoretical XRD pattern using ObjCryst++."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLOTXRD_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/xrdoptionsdialog.cpp000066400000000000000000000035311516317240700311150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "xrdoptionsdialog.h" #include "ui_xrdoptionsdialog.h" #include namespace Avogadro::QtPlugins { XrdOptionsDialog::XrdOptionsDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::XrdOptionsDialog) { m_ui->setupUi(this); // Read the settings QSettings settings; m_ui->spin_wavelength->setValue( settings.value("plotxrdoptions/wavelength", 1.505600).toDouble()); m_ui->spin_peakWidth->setValue( settings.value("plotxrdoptions/peakWidth", 0.529580).toDouble()); m_ui->spin_numDataPoints->setValue( settings.value("plotxrdoptions/numDataPoints", 1000).toUInt()); m_ui->spin_max2Theta->setValue( settings.value("plotxrdoptions/max2Theta", 162.0).toDouble()); } XrdOptionsDialog::~XrdOptionsDialog() = default; double XrdOptionsDialog::wavelength() const { return m_ui->spin_wavelength->value(); } double XrdOptionsDialog::peakWidth() const { return m_ui->spin_peakWidth->value(); } size_t XrdOptionsDialog::numDataPoints() const { return m_ui->spin_numDataPoints->value(); } double XrdOptionsDialog::max2Theta() const { return m_ui->spin_max2Theta->value(); } void XrdOptionsDialog::accept() { // Write the settings and accept QSettings settings; settings.setValue("plotxrdoptions/wavelength", wavelength()); settings.setValue("plotxrdoptions/peakWidth", peakWidth()); settings.setValue("plotxrdoptions/numDataPoints", static_cast(numDataPoints())); settings.setValue("plotxrdoptions/max2Theta", max2Theta()); QDialog::accept(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/xrdoptionsdialog.h000066400000000000000000000020471516317240700305630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_XRDOPTIONSDIALOG_H #define AVOGADRO_QTPLUGINS_XRDOPTIONSDIALOG_H #include #include namespace Avogadro { namespace QtPlugins { namespace Ui { class XrdOptionsDialog; } /** * @brief Dialog to set options for a theoretical XRD pattern calculation. */ class XrdOptionsDialog : public QDialog { Q_OBJECT public: explicit XrdOptionsDialog(QWidget* parent = nullptr); ~XrdOptionsDialog() override; double wavelength() const; double peakWidth() const; size_t numDataPoints() const; double max2Theta() const; protected slots: void accept() override; private: std::unique_ptr m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_XRDOPTIONSDIALOG_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/plotxrd/xrdoptionsdialog.ui000066400000000000000000000142631516317240700307540ustar00rootroot00000000000000 Avogadro::QtPlugins::XrdOptionsDialog 0 0 324 237 Theoretical XRD Pattern Options <html><head/><body><p>The broadening of the peak at the base (in degrees).</p></body></html> <html><head/><body><p>The max 2theta value in degrees.</p><p>Default: 162.00°</p></body></html> ° 2 360.000000000000000 0.100000000000000 162.000000000000000 <html><head/><body><p>The broadening of the peaks at the base in degrees.</p><p>Default: 0.52958°</p></body></html> ° 5 100.000000000000000 0.100000000000000 0.529580000000000 Number of points: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Peak width: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Wavelength: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter <html><head/><body><p>The wavelength of the x-ray in Angstroms. </p><p>Default: 1.50560 Å</p></body></html> Å 5 0.000000000000000 100.000000000000000 0.100000000000000 1.505600000000000 <html><head/><body><p>The number of 2theta points to generate.</p><p>Default: 1000</p></body></html> 1 100000 1000 Qt::LayoutDirection::LeftToRight Max 2θ: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter QDialogButtonBox::StandardButton::Cancel|QDialogButtonBox::StandardButton::Ok spin_wavelength spin_peakWidth spin_numDataPoints spin_max2Theta buttonBox accepted() Avogadro::QtPlugins::XrdOptionsDialog accept() 226 204 161 118 buttonBox rejected() Avogadro::QtPlugins::XrdOptionsDialog reject() 226 204 161 118 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/pluginfactory.h000066400000000000000000000016361516317240700263670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLUGINFACTORY_H #define AVOGADRO_QTPLUGINS_PLUGINFACTORY_H #include #include namespace Avogadro::QtPlugins { /** * @class PluginFactory pluginfactory.h * @brief The base class for plugin factories in Avogadro. */ template class PluginFactory { public: virtual ~PluginFactory() {} virtual T* createInstance(QObject* parent = nullptr) = 0; virtual QString identifier() const = 0; virtual QString description() const = 0; }; } // namespace Avogadro::QtPlugins #endif /* AVOGADRO_QTPLUGINS_PLUGINFACTORY_H */ OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/pluginmanager.cpp000066400000000000000000000101501516317240700266540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pluginmanager.h" #include "avogadrostaticqtplugins.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PluginManager::PluginManager(QObject* p) : QObject(p), m_staticPluginsLoaded(false) { QString libDir(QtGui::Utilities::libraryDirectory()); // http://doc.qt.digia.com/qt/deployment-plugins.html#debugging-plugins bool debugPlugins = !qgetenv("QT_DEBUG_PLUGINS").isEmpty(); // The usual base directory is the parent directory of the executable's // location. (exe is in "bin" or "MacOS" and plugins are under the parent // directory at "/avogadro2/plugins"...) QDir baseDir(QCoreApplication::applicationDirPath() + "/.."); #ifdef __APPLE__ // But if NOT running from the installed bundle on the Mac, the plugins are // relative to the build directory instead: // if (!QFileInfo(baseDir.absolutePath() + "/Resources/qt.conf").exists()) { QDir buildDir(QCoreApplication::applicationDirPath() + "/../../../.."); baseDir = buildDir; if (debugPlugins) qDebug() << " using buildDir:" << buildDir.absolutePath(); } #endif // If the environment variable is set, use that as the base directory. QByteArray pluginDir = qgetenv("AVOGADRO_PLUGIN_DIR"); if (!pluginDir.isEmpty()) baseDir.setPath(pluginDir); if (debugPlugins) qDebug() << " baseDir:" << baseDir.absolutePath(); QDir pluginsDir(baseDir.absolutePath() + "/" + libDir + "/avogadro2/plugins"); m_pluginDirs.append(pluginsDir.absolutePath()); if (debugPlugins) { qDebug() << " pluginsDir:" << pluginsDir.absolutePath(); int count = 0; foreach (const QString& pluginPath, pluginsDir.entryList(QDir::Files)) { ++count; qDebug() << " " << pluginsDir.absolutePath() + "/" + pluginPath; } if (count > 0) qDebug() << " " << count << "files found in" << pluginsDir.absolutePath(); else qDebug() << " no plugin files found in" << pluginsDir.absolutePath(); } initAvogadroPluginResources(); } PluginManager::~PluginManager() {} PluginManager* PluginManager::instance() { static QMutex mutex; // Compiler initializes this static pointer to 0. static PluginManager* pluginManagerInstance; if (!pluginManagerInstance) { mutex.lock(); if (!pluginManagerInstance) pluginManagerInstance = new PluginManager(QCoreApplication::instance()); mutex.unlock(); } return pluginManagerInstance; } void PluginManager::load() { foreach (const QString& dir, m_pluginDirs) load(dir); } void PluginManager::load(const QString& path) { // Load any static plugins first. if (!m_staticPluginsLoaded) { QObjectList staticPlugins = QPluginLoader::staticInstances(); foreach (QObject* pluginInstance, staticPlugins) m_plugins.append(pluginInstance); m_staticPluginsLoaded = true; } QDir dir(path); foreach (const QString& pluginPath, dir.entryList(QDir::Files)) { QPluginLoader pluginLoader(dir.absolutePath() + "/" + pluginPath); // We only want to count plugins once, the || should not be necessary but // I found that on the Mac at least isLoaded was not always reliable (and // if it is we skip the second in the short-circuit). if (pluginLoader.isLoaded() || m_plugins.contains(pluginLoader.instance())) continue; QObject* pluginInstance = pluginLoader.instance(); // Check if the plugin loaded correctly. Keep debug output for now, should // go away once we have verified this (or added to a logger). if (!pluginInstance) { qDebug() << "Failed to load" << pluginPath << "error" << pluginLoader.errorString(); continue; } m_plugins.append(pluginInstance); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/pluginmanager.h000066400000000000000000000071761516317240700263370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PLUGINMANAGER_H #define AVOGADRO_QTGUI_PLUGINMANAGER_H #include "avogadroqtpluginsexport.h" #include #include #include namespace Avogadro { namespace QtPlugins { class ScenePluginFactory; class ExtensionPluginFactory; /** * @class PluginManager pluginmanager.h * @brief This class takes care of finding and loading Avogadro plugins. * @author Marcus D. Hanwell * * This class will find and load Avogadro plugins. Once loaded you can use an * instance of this class to query and construct plugin instances. By default * plugins are loaded from * QApplication::applicationDirPath()..//avogadro/plugins but this can * be changed, or more paths can be added. * * The load methods can be called multiple times, and will load any new plugins * while ignoring plugins that have already been loaded. */ class AVOGADROQTPLUGINS_EXPORT PluginManager : public QObject { Q_OBJECT public: /** * Get the singleton instance of the plugin manager. This instance should not * be deleted. */ static PluginManager* instance(); /** * Get a reference to the plugin directory path list. Modifying this before * calling load will allow you to add, remove or append to the search paths. */ QStringList& pluginDirList() { return m_pluginDirs; } /** Load all plugins available in the specified plugin directories. */ void load(); void load(const QString& dir); /** * Let the user request plugins with a certain type, this must use the Qt * mechanisms as qobject_cast is used in conjunction with interfaces. * * @code * factory = * pluginManager->pluginFactories(); * @endcode */ template QList pluginFactories() const; /** * Let the user request a plugin by name, this must use the Qt * mechanisms as qobject_cast is used in conjunction with interfaces. * * @code factory = pluginManager-> pluginFactories("name"); * @endcode * * @param id The identifier of the plugin factory. * @return The plugin factory if the plugin was found, nullptr otherwise. */ template T* pluginFactory(const QString& id) const; private: // Hide the constructor, destructor, copy and assignment operator. PluginManager(QObject* parent = nullptr); ~PluginManager() override; PluginManager(const PluginManager&); // Not implemented. PluginManager& operator=(const PluginManager&); // Not implemented. QStringList m_pluginDirs; QString m_relativeToApp; bool m_staticPluginsLoaded; // Storage for the loaded plugin instances. QList m_plugins; }; template QList PluginManager::pluginFactories() const { QList factories; foreach (QObject* plugin, m_plugins) { T* factory = qobject_cast(plugin); if (factory) factories.append(factory); } return factories; } template T* PluginManager::pluginFactory(const QString& id) const { T* factory; foreach (QObject* plugin, m_plugins) { factory = qobject_cast(plugin); if (factory && factory->identifier() == id) break; } return factory; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTGUI_PLUGINMANAGER_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ply/000077500000000000000000000000001516317240700241265ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ply/CMakeLists.txt000066400000000000000000000002371516317240700266700ustar00rootroot00000000000000avogadro_plugin(PLY "Render the scene using PLY." ExtensionPlugin ply.h PLY "ply.cpp" "" ) target_link_libraries(PLY PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ply/ply.cpp000066400000000000000000000036601516317240700254430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ply.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PLY::PLY(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_scene(nullptr), m_camera(nullptr), m_action(new QAction(tr("PLY Render…"), this)) { connect(m_action, SIGNAL(triggered()), SLOT(render())); } PLY::~PLY() {} QList PLY::actions() const { QList result; return result << m_action; } QStringList PLY::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void PLY::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void PLY::setScene(Rendering::Scene* scene) { m_scene = scene; } void PLY::setCamera(Rendering::Camera* camera) { m_camera = camera; } void PLY::render() { if (!m_scene || !m_camera) return; QString filename = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Save File"), QDir::homePath(), tr("PLY (*.ply);;Text file (*.txt)")); QFile file(filename); if (!file.open(QIODevice::WriteOnly)) return; QTextStream fileStream(&file); Rendering::PLYVisitor visitor(*m_camera); visitor.begin(); m_scene->rootNode().accept(visitor); fileStream << visitor.end().c_str(); file.close(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/ply/ply.h000066400000000000000000000024771516317240700251150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLY_H #define AVOGADRO_QTPLUGINS_PLY_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The PLY class performs PLY operations on demand. */ class PLY : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit PLY(QObject* p = nullptr); ~PLY() override; QString name() const override { return tr("PLY"); } QString description() const override { return tr("Render the scene using PLY."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setScene(Rendering::Scene* scene) override; void setCamera(Rendering::Camera* camera) override; private slots: void render(); private: QtGui::Molecule* m_molecule; Rendering::Scene* m_scene; Rendering::Camera* m_camera; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/povray/000077500000000000000000000000001516317240700246425ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/povray/CMakeLists.txt000066400000000000000000000002621516317240700274020ustar00rootroot00000000000000avogadro_plugin(POVRay "Render the scene using POV-Ray." ExtensionPlugin povray.h POVRay "povray.cpp" "" ) target_link_libraries(POVRay PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/povray/povray.cpp000066400000000000000000000037371516317240700267000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "povray.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { POVRay::POVRay(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_scene(nullptr), m_camera(nullptr), m_action(new QAction(tr("POV-Ray Render…"), this)) { connect(m_action, SIGNAL(triggered()), SLOT(render())); } POVRay::~POVRay() {} QList POVRay::actions() const { QList result; return result << m_action; } QStringList POVRay::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void POVRay::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void POVRay::setScene(Rendering::Scene* scene) { m_scene = scene; } void POVRay::setCamera(Rendering::Camera* camera) { m_camera = camera; } void POVRay::render() { if (!m_scene || !m_camera) return; QString filename = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Save File"), QDir::homePath(), tr("POV-Ray (*.pov);;Text file (*.txt)")); QFile file(filename); if (!file.open(QIODevice::WriteOnly)) return; QTextStream fileStream(&file); Rendering::POVRayVisitor visitor(*m_camera); visitor.begin(); m_scene->rootNode().accept(visitor); fileStream << visitor.end().c_str(); file.close(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/povray/povray.h000066400000000000000000000025361516317240700263410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_POVRAY_H #define AVOGADRO_QTPLUGINS_POVRAY_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The POVRay class performs POVRay operations on demand. */ class POVRay : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit POVRay(QObject* p = nullptr); ~POVRay() override; QString name() const override { return tr("POVRay"); } QString description() const override { return tr("Render the scene using POV-Ray."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setScene(Rendering::Scene* scene) override; void setCamera(Rendering::Camera* camera) override; private slots: void render(); private: QtGui::Molecule* m_molecule; Rendering::Scene* m_scene; Rendering::Camera* m_camera; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_POVRAY_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/000077500000000000000000000000001516317240700264015ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/CMakeLists.txt000066400000000000000000000003771516317240700311500ustar00rootroot00000000000000avogadro_plugin(PropertyTables "Atom, Bond, Angle, Dihedral property tables." ExtensionPlugin propertytables.h PropertyTables "propertytables.cpp;propertymodel.cpp;propertyview.cpp" ) target_link_libraries(PropertyTables PRIVATE Avogadro::Calc)OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/propertymodel.cpp000066400000000000000000001221161516317240700320150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "propertymodel.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using Avogadro::Core::Array; using Avogadro::QtGui::Molecule; using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using std::numeric_limits; using std::pair; using std::vector; using SecondaryStructure = Avogadro::Core::Residue::SecondaryStructure; // element, valence, formal charge, partial charge, x, y, z, label, isotope, // color const int AtomColumns = 10; // type, atom 1, atom 2, bond order, length, label const int BondColumns = 6; // type, atom 1, atom 2, atom 3, angle const int AngleColumns = 5; // type, atom 1, atom 2, atom 3, atom 4, dihedral const int TorsionColumns = 6; // name, number, chain, secondary structure, label, heterogen, color const int ResidueColumns = 7; // number, rmsd, energy or more depending on available properties const int ConformerColumns = 1; // compute the RMSD between the two sets of coordinates inline double calculateRMSD(const Array& v1, const Array& v2) { // if they're not the same length, it's an error if (v1.size() != v2.size()) return numeric_limits::quiet_NaN(); double sum = 0.0; for (size_t i = 0; i < v1.size(); ++i) { Vector3 diff = v1[i] - v2[i]; sum += diff.squaredNorm(); } return sqrt(sum / v1.size()); } inline double distance(Vector3 v1, Vector3 v2) { Vector3 v3 = v1 - v2; return v3.norm(); } inline QString angleTypeString(unsigned char a, unsigned char b, unsigned char c) { return QString("%1%2%3") .arg(Core::Elements::symbol(a)) .arg(Core::Elements::symbol(b)) .arg(Core::Elements::symbol(c)); } inline QString torsionTypeString(unsigned char a, unsigned char b, unsigned char c, unsigned char d) { return QString("%1%2%3%4") .arg(Core::Elements::symbol(a)) .arg(Core::Elements::symbol(b)) .arg(Core::Elements::symbol(c)) .arg(Core::Elements::symbol(d)); } PropertyModel::PropertyModel(PropertyType type, QObject* parent) : QAbstractTableModel(parent), m_type(type), m_molecule(nullptr) { } int PropertyModel::rowCount(const QModelIndex& parent) const { Q_UNUSED(parent); if (!m_validCache) updateCache(); switch (m_type) { case AtomType: return m_molecule->atomCount(); case BondType: return m_molecule->bondCount(); case ResidueType: return m_molecule->residueCount(); case AngleType: return m_angles.size(); case TorsionType: return m_torsions.size(); case ConformerType: return m_molecule->coordinate3dCount(); default: return 0; } return 0; } int PropertyModel::columnCount(const QModelIndex& parent) const { Q_UNUSED(parent); switch (m_type) { case AtomType: return AtomColumns; // see above case BondType: return BondColumns; // see above case AngleType: return AngleColumns; // see above case TorsionType: return TorsionColumns; case ResidueType: return ResidueColumns; case ConformerType: { if (m_molecule->hasData("energies")) return ConformerColumns + 1; else return ConformerColumns; } default: return 0; } return 0; } QString partialChargeType(Molecule* molecule) { QString type; std::set types = molecule->partialChargeTypes(); if (types.size() > 0) { type = QString(types.cbegin()->c_str()); } else { // find something const auto options = Calc::ChargeManager::instance().identifiersForMolecule(*molecule); if (options.size() > 0) { // look for GFN2 or AM1BCC, then MMFF94 then Gasteiger if (options.find("GFN2") != options.end()) type = "GFN2"; else if (options.find("am1bcc") != options.end()) type = "am1bcc"; else if (options.find("mmff94") != options.end()) type = "mmff94"; else if (options.find("gasteiger") != options.end()) type = "gasteiger"; else type = *options.begin()->c_str(); } } return type; } QString formatChargeType(QString type) { if (type == "gfn2") return "GFN2"; else if (type == "am1bcc") return "AM1BCC"; else if (type == "mmff94") return "MMFF94"; else if (type == "gasteiger") return "Gasteiger"; else if (type.startsWith("eem")) return "EEM"; else if (type == "qeq") return "QEq"; else if (type.toLower() == "mulliken") return "Mulliken"; else if (type.toLower() == "lowdin") return "Löwdin"; else if (type.toLower() == "loewdin") return "Löwdin"; else if (type.toLower() == "chelpg") return "CHELPG"; else if (type.toLower() == "hirshfeld") return "Hirshfeld"; else if (type.toLower() == "resp") return "RESP"; else if (type.toLower() == "mbis") return "MBIS"; else if (type.toLower() == "abcg2") return "ABCG2"; else if (type.toLower() == "cm5") return "CM5"; else return type; } QString partialCharge(Molecule* molecule, int atom, const QString& overrideType) { float charge = 0.0; std::string type = overrideType.isEmpty() ? partialChargeType(molecule).toStdString() : overrideType.toStdString(); // first check if the molecule already has this charge type // (e.g., read from a file like Mulliken charges) // we need to use the original case from the molecule std::set types = molecule->partialChargeTypes(); if (types.find(type) != types.end()) { MatrixX charges = molecule->partialCharges(type); charge = charges(atom, 0); } else { MatrixX charges = Calc::ChargeManager::instance().partialCharges(type, *molecule); charge = charges(atom, 0); } return QString("%L1").arg(charge, 0, 'f', 3); } // Qt calls this for multiple "roles" across row / columns in the index // we also combine multiple types into this class, so lots of special cases QVariant PropertyModel::data(const QModelIndex& index, int role) const { if (!index.isValid()) return QVariant(); int row = index.row(); int col = index.column(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // handle text alignments if (role == Qt::TextAlignmentRole) { if (m_type == ConformerType) { return toVariant(Qt::AlignRight | Qt::AlignVCenter); // energies } else if (m_type == AtomType) { if (index.column() == AtomDataColor) return toVariant(Qt::AlignRight | Qt::AlignVCenter); else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == BondType) { if (index.column() == BondDataLength) return toVariant(Qt::AlignRight | Qt::AlignVCenter); // bond length else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == AngleType) { if (index.column() == AngleDataValue) return toVariant(Qt::AlignRight | Qt::AlignVCenter); // angle else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == TorsionType) { if (index.column() == TorsionDataValue) return toVariant(Qt::AlignRight | Qt::AlignVCenter); // dihedral angle else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == ResidueType) { return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == ConformerType) { return toVariant(Qt::AlignRight | Qt::AlignVCenter); // RMSD or other properties } } if (role == Qt::DecorationRole) { // color for atom and residue if (m_type == AtomType && col == AtomDataColor && row < static_cast(m_molecule->atomCount())) { auto c = m_molecule->color(row); QColor color(c[0], c[1], c[2]); return color; } else if (m_type == ResidueType && col == ResidueDataColor && row < static_cast(m_molecule->residueCount())) { auto c = m_molecule->residue(row).color(); QColor color(c[0], c[1], c[2]); return color; } } if (role == Qt::ToolTipRole && isColorIndex(index)) return tr("Click to change color"); if (role != Qt::UserRole && role != Qt::DisplayRole && role != Qt::EditRole) return QVariant(); if (m_type == AtomType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->atomCount()) || column > AtomColumns) { return QVariant(); // invalid index } QString format("%L1"); // Return Data switch (column) { case AtomDataElement: return Core::Elements::symbol(m_molecule->atomicNumber(row)); case AtomDataValence: return QVariant::fromValue(m_molecule->bonds(row).size()); case AtomDataFormalCharge: return m_molecule->formalCharge(row); case AtomDataPartialCharge: return partialCharge(m_molecule, row, m_chargeType); case AtomDataX: if (role == Qt::UserRole) // Return the x coordinate as a double for sorting return m_molecule->atomPosition3d(row).x(); else // format fixed to 4 decimals { auto formatted = QString("%L1").arg(m_molecule->atomPosition3d(row).x(), 0, 'f', 4); if (m_molecule->frozenAtom(row) || m_molecule->frozenAtomAxis(row, 0)) formatted += "🔒"; return formatted; } case AtomDataY: if (role == Qt::UserRole) // Return the y coordinate as a double for sorting return m_molecule->atomPosition3d(row).y(); else // format fixed to 4 decimals { auto formatted = QString("%L1").arg(m_molecule->atomPosition3d(row).y(), 0, 'f', 4); if (m_molecule->frozenAtom(row) || m_molecule->frozenAtomAxis(row, 1)) formatted += "🔒"; return formatted; } case AtomDataZ: if (role == Qt::UserRole) // Return the z coordinate as a double for sorting return m_molecule->atomPosition3d(row).z(); else // format fixed to 4 decimals { auto formatted = QString("%L1").arg(m_molecule->atomPosition3d(row).z(), 0, 'f', 4); if (m_molecule->frozenAtom(row) || m_molecule->frozenAtomAxis(row, 2)) formatted += "🔒"; return formatted; } case AtomDataLabel: return m_molecule->atomLabel(row).c_str(); case AtomDataIsotope: { int isotope = m_molecule->isotope(row); if (isotope > 0) return isotope; else return QVariant(); } case AtomDataColor: default: return QVariant(); // nothing to show } } else if (m_type == BondType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->bondCount()) || column > BondColumns) { return QVariant(); // invalid index } auto bond = m_molecule->bond(row); auto atom1 = bond.atom1(); auto atom2 = bond.atom2(); bool isConstrained = false; // check constraints for this bond for (auto& constraint : m_molecule->constraints()) { if (constraint.aIndex() == atom1.index() && constraint.bIndex() == atom2.index()) { isConstrained = true; break; } } switch (column) { case BondDataType: return QString("%1-%2") .arg(Core::Elements::symbol(atom1.atomicNumber())) .arg(Core::Elements::symbol(atom2.atomicNumber())); case BondDataAtom1: return QVariant::fromValue(atom1.index() + 1); case BondDataAtom2: return QVariant::fromValue(atom2.index() + 1); case BondDataOrder: return bond.order(); case BondDataLabel: return m_molecule->bondLabel(row).c_str(); default: // length, rounded to 4 decimals if (role == Qt::UserRole) // Return the bond length as a double for sorting return distance(atom1.position3d(), atom2.position3d()); else { QString formatted = QString("%L1").arg( distance(atom1.position3d(), atom2.position3d()), 0, 'f', 3); if (isConstrained) formatted += "🔒"; return formatted; } } } else if (m_type == ResidueType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->residueCount()) || column > ResidueColumns) { return QVariant(); // invalid index } auto residue = m_molecule->residue(row); // name, number, chain, secondary structure // color is handled above switch (column) { case ResidueDataName: return residue.residueName().c_str(); case ResidueDataID: return QVariant::fromValue(residue.residueId()); case ResidueDataChain: return QString(residue.chainId()); case ResidueDataSecStructure: return secStructure(residue.secondaryStructure()); case ResidueDataLabel: return m_molecule->residueLabel(row).c_str(); case ResidueDataHeterogen: return QString(residue.isHeterogen() ? "X" : ""); default: return QVariant(); } } else if (m_type == AngleType) { auto column = static_cast(index.column()); if (row > static_cast(m_angles.size()) || column > AngleColumns) return QVariant(); // invalid index auto angle = m_angles[row]; auto atomNumber1 = m_molecule->atomicNumber(std::get<0>(angle)); auto atomNumber2 = m_molecule->atomicNumber(std::get<1>(angle)); auto atomNumber3 = m_molecule->atomicNumber(std::get<2>(angle)); Vector3 a1 = m_molecule->atomPosition3d(std::get<0>(angle)); Vector3 a2 = m_molecule->atomPosition3d(std::get<1>(angle)); Vector3 a3 = m_molecule->atomPosition3d(std::get<2>(angle)); bool isConstrained = false; // check constraints for this angle for (auto& constraint : m_molecule->constraints()) { if (constraint.aIndex() == std::get<0>(angle) && constraint.bIndex() == std::get<1>(angle) && constraint.cIndex() == std::get<2>(angle)) { isConstrained = true; break; } } switch (column) { case AngleDataType: return angleTypeString(atomNumber1, atomNumber2, atomNumber3); case AngleDataAtom1: return QVariant::fromValue(std::get<0>(angle) + 1); case AngleDataAtom2: return QVariant::fromValue(std::get<1>(angle) + 1); case AngleDataAtom3: return QVariant::fromValue(std::get<2>(angle) + 1); case AngleDataValue: if (role == Qt::UserRole) // Return the angle as a double for sorting return calculateAngle(a1, a2, a3); else { // format fixed to 3 decimals QString formatted = QString("%L1").arg(calculateAngle(a1, a2, a3), 0, 'f', 3); if (isConstrained) formatted += "🔒"; return formatted; } default: return QVariant(); } } else if (m_type == TorsionType) { auto column = static_cast(index.column()); if (row > static_cast(m_torsions.size()) || column > TorsionColumns) return QVariant(); // invalid index auto torsion = m_torsions[row]; auto atomNumber1 = m_molecule->atomicNumber(std::get<0>(torsion)); auto atomNumber2 = m_molecule->atomicNumber(std::get<1>(torsion)); auto atomNumber3 = m_molecule->atomicNumber(std::get<2>(torsion)); auto atomNumber4 = m_molecule->atomicNumber(std::get<3>(torsion)); Vector3 a1 = m_molecule->atomPosition3d(std::get<0>(torsion)); Vector3 a2 = m_molecule->atomPosition3d(std::get<1>(torsion)); Vector3 a3 = m_molecule->atomPosition3d(std::get<2>(torsion)); Vector3 a4 = m_molecule->atomPosition3d(std::get<3>(torsion)); bool isConstrained = false; // check constraints for this torsion for (auto& constraint : m_molecule->constraints()) { if (constraint.aIndex() == std::get<0>(torsion) && constraint.bIndex() == std::get<1>(torsion) && constraint.cIndex() == std::get<2>(torsion) && constraint.dIndex() == std::get<3>(torsion)) { isConstrained = true; break; } } switch (column) { case TorsionDataType: return torsionTypeString(atomNumber1, atomNumber2, atomNumber3, atomNumber4); case TorsionDataAtom1: return QVariant::fromValue(std::get<0>(torsion) + 1); case TorsionDataAtom2: return QVariant::fromValue(std::get<1>(torsion) + 1); case TorsionDataAtom3: return QVariant::fromValue(std::get<2>(torsion) + 1); case TorsionDataAtom4: return QVariant::fromValue(std::get<3>(torsion) + 1); case TorsionDataValue: if (role == Qt::UserRole) // Return the dihedral angle as a double for sorting return calculateDihedral(a1, a2, a3, a4); else { // format fixed to 3 decimals QString format = QString("%L1").arg(calculateDihedral(a1, a2, a3, a4), 0, 'f', 3); if (isConstrained) format += "🔒"; return format; } default: return QVariant(); } } else if (m_type == ConformerType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->coordinate3dCount()) || column > ConformerColumns) { return QVariant(); // invalid index } switch (column) { case ConformerDataRMSD: { // rmsd double rmsd = 0.0; if (row > 0) { rmsd = calculateRMSD(m_molecule->coordinate3d(row), m_molecule->coordinate3d(0)); } if (role == Qt::UserRole) // Return the RMSD as a double for sorting return rmsd; else // format fixed to 3 decimals return QString("%L1 Å").arg(rmsd, 0, 'f', 3); } case ConformerDataEnergy: { double energy = 0.0; if (m_molecule->hasData("energies")) { std::vector energies = m_molecule->data("energies").toList(); // calculate the minimum double minEnergy = std::numeric_limits::max(); for (double e : energies) { minEnergy = std::min(minEnergy, e); } if (row < static_cast(energies.size())) energy = energies[row] - minEnergy; } if (role == Qt::UserRole) // Return the energy as a double for sorting return energy; else // format fixed to 4 decimals return QString("%L1").arg(energy, 0, 'f', 4); } } } return QVariant(); } QVariant PropertyModel::headerData(int section, Qt::Orientation orientation, int role) const { // handle text alignments if (role == Qt::TextAlignmentRole) { if (orientation == Qt::Vertical) { return Qt::AlignHCenter; // XYZ coordinates } } if (role != Qt::DisplayRole) return QVariant(); if (m_type == AtomType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case AtomDataElement: return tr("Element"); case AtomDataValence: return tr("Valence"); case AtomDataFormalCharge: return tr("Formal Charge"); case AtomDataPartialCharge: { QString charge = tr("%1 Partial Charge", "e.g. MMFF94 Partial Charge or " "Gasteiger Partial Charge"); QString type = m_chargeType.isEmpty() ? partialChargeType(m_molecule) : m_chargeType; return charge.arg(formatChargeType(type)); } case AtomDataX: return tr("X (Å)"); case AtomDataY: return tr("Y (Å)"); case AtomDataZ: return tr("Z (Å)"); case AtomDataLabel: return tr("Label"); case AtomDataIsotope: return tr("Isotope"); case AtomDataColor: return tr("Color"); } } else return tr("Atom") + QString(" %1").arg(section + 1); } else if (m_type == BondType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case BondDataType: return tr("Type"); case BondDataAtom1: return tr("Start Atom"); case BondDataAtom2: return tr("End Atom"); case BondDataOrder: return tr("Bond Order"); case BondDataLabel: return tr("Label"); default: // A bond length return tr("Length (Å)", "in Angstrom"); } } else // Bond ordering starts at 0 return tr("Bond") + QString(" %1").arg(section + 1); } else if (m_type == ResidueType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case ResidueDataName: return tr("Name"); case ResidueDataID: return tr("ID"); case ResidueDataChain: return tr("Chain"); case ResidueDataSecStructure: return tr("Secondary Structure"); case ResidueDataHeterogen: return tr("Heterogen"); case ResidueDataLabel: return tr("Label"); case ResidueDataColor: return tr("Color"); } } else // row headers return QString("%L1").arg(section + 1); } else if (m_type == AngleType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case AngleDataType: return tr("Type"); case AngleDataAtom1: return tr("Atom 1"); case AngleDataAtom2: return tr("Vertex"); case AngleDataAtom3: return tr("Atom 3"); case AngleDataValue: return tr("Angle (°)"); } } else // row headers return QString("%L1").arg(section + 1); } else if (m_type == TorsionType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case TorsionDataType: return tr("Type"); case TorsionDataAtom1: return tr("Atom 1"); case TorsionDataAtom2: return tr("Atom 2"); case TorsionDataAtom3: return tr("Atom 3"); case TorsionDataAtom4: return tr("Atom 4"); case TorsionDataValue: return tr("Angle (°)"); } } else // row headers return QString("%L1").arg(section + 1); } else if (m_type == ConformerType) { // check if we have energies bool hasEnergies = (m_molecule->hasData("energies")); if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case ConformerDataRMSD: return tr("RMSD (Å)", "root mean squared displacement in Angstrom"); case ConformerDataEnergy: // should only hit this if we have energies anyway return hasEnergies ? tr("Energy (kcal/mol)") : tr("Property"); } } else // row headers return QString("%L1").arg(section + 1); } return QVariant(); } Qt::ItemFlags PropertyModel::flags(const QModelIndex& index) const { if (!index.isValid()) return Qt::ItemIsEnabled; // return QAbstractItemModel::flags(index) | Qt::ItemIsEditable // for the types and columns that can be edited auto editable = Qt::ItemIsEnabled | Qt::ItemIsSelectable | Qt::ItemIsEditable; if (m_type == AtomType) { if (index.column() == AtomDataElement || index.column() == AtomDataFormalCharge || index.column() == AtomDataX || index.column() == AtomDataY || index.column() == AtomDataZ || index.column() == AtomDataLabel || index.column() == AtomDataIsotope || index.column() == AtomDataColor) return editable; } else if (m_type == BondType) { if (index.column() == BondDataOrder || index.column() == BondDataLength || index.column() == BondDataLabel) return editable; } else if (m_type == ResidueType) { if (index.column() == ResidueDataLabel || index.column() == ResidueDataColor) return editable; } else if (m_type == AngleType) { if (index.column() == AngleDataValue) return editable; } else if (m_type == TorsionType) { if (index.column() == TorsionDataValue) return editable; } return QAbstractItemModel::flags(index); } bool PropertyModel::setData(const QModelIndex& index, const QVariant& value, int role) { if (!index.isValid()) return false; if (role != Qt::EditRole) return false; // If an item is actually editable, we should invalidate the cache // We can still use the cached data -- we just invalidate now // So that we can call "return" and have the cache invalid when we leave m_validCache = false; auto* undoMolecule = m_molecule->undoMolecule(); if (m_type == AtomType) { Vector3 v = m_molecule->atomPosition3d(index.row()); switch (static_cast(index.column())) { case AtomDataFormalCharge: { bool ok; int charge = value.toInt(&ok); if (ok) { undoMolecule->setFormalCharge(index.row(), charge); } break; } case AtomDataElement: { // atomic number // Try first as a number bool ok; int atomicNumber = value.toInt(&ok); if (ok) undoMolecule->setAtomicNumber(index.row(), atomicNumber); else { // try a symbol atomicNumber = Core::Elements::atomicNumberFromSymbol( value.toString().toStdString()); if (atomicNumber != Avogadro::InvalidElement) { undoMolecule->setAtomicNumber(index.row(), atomicNumber); } else return false; } // not a number break; } case AtomDataX: { bool ok; double x = value.toDouble(&ok); if (ok) { v[0] = x; } break; } case AtomDataY: { bool ok; double y = value.toDouble(&ok); if (ok) { v[1] = y; } break; } case AtomDataZ: { bool ok; double z = value.toDouble(&ok); if (ok) { v[2] = z; } break; } case AtomDataLabel: undoMolecule->setAtomLabel(index.row(), value.toString().toStdString()); break; case AtomDataIsotope: { bool ok; int isotope = value.toInt(&ok); if (ok) { m_molecule->setIsotope(index.row(), isotope); } break; } case AtomDataColor: { // get the current color for the dialog Vector3ub currentColor = m_molecule->color(index.row()); QColor currentQColor(currentColor[0], currentColor[1], currentColor[2]); QColor newQColor = QColorDialog::getColor(currentQColor, nullptr, "Select Color for Atom"); if (newQColor.isValid()) { Vector3ub newColor; newColor[0] = static_cast(newQColor.red()); newColor[1] = static_cast(newQColor.green()); newColor[2] = static_cast(newQColor.blue()); undoMolecule->setColor(index.row(), newColor); } break; } default: return false; } undoMolecule->setAtomPosition3d(index.row(), v); // cleanup atom changes emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Atoms); return true; } else if (m_type == BondType) { switch (static_cast(index.column())) { case BondDataOrder: { bool ok; int order = value.toInt(&ok); if (ok && order > 0 && order <= 6) { undoMolecule->setBondOrder(index.row(), value.toInt()); } break; } case BondDataLength: { bool ok; double length = value.toDouble(&ok); if (ok) { setBondLength(index.row(), value.toDouble()); } break; } case BondDataLabel: undoMolecule->setBondLabel(index.row(), value.toString().toStdString()); break; default: return false; } emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Bonds); return true; } else if (m_type == ResidueType) { if (index.column() == ResidueDataLabel) { m_molecule->setResidueLabel(index.row(), value.toString().toStdString()); emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Residues); return true; } else if (index.column() == ResidueDataColor) { // get the current color for the dialog Vector3ub currentColor = m_molecule->residue(index.row()).color(); QColor currentQColor(currentColor[0], currentColor[1], currentColor[2]); QColor newQColor = QColorDialog::getColor(currentQColor, nullptr, "Select Color for Residue"); if (newQColor.isValid()) { Vector3ub newColor; newColor[0] = static_cast(newQColor.red()); newColor[1] = static_cast(newQColor.green()); newColor[2] = static_cast(newQColor.blue()); undoMolecule->setResidueColor(index.row(), newColor); emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Residues); return true; } } // end editing residues } else if (m_type == AngleType) { if (index.column() == AngleDataValue) { bool ok; double angle = value.toDouble(&ok); if (!ok) return false; setAngle(index.row(), angle); emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Atoms); return true; } } else if (m_type == TorsionType) { if (index.column() == TorsionDataValue) { bool ok; double angle = value.toDouble(&ok); if (!ok) return false; setTorsion(index.row(), angle); emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Atoms); return true; } } return false; } bool PropertyModel::isColorIndex(const QModelIndex& index) const { if (!index.isValid()) return false; if (m_type == AtomType) return index.column() == AtomDataColor; if (m_type == ResidueType) return index.column() == ResidueDataColor; return false; } void PropertyModel::buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom) { m_fragment.clear(); if (!fragmentRecurse(bond, startAtom, startAtom)) { // If this returns false, then a cycle has been found. Only move startAtom // in this case. m_fragment.clear(); } m_fragment.push_back(m_molecule->undoMolecule()->atomUniqueId(startAtom)); } bool PropertyModel::fragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom) { // does our cycle include both bonded atoms? const RWAtom bondedAtom(bond.getOtherAtom(startAtom)); auto* undoMolecule = m_molecule->undoMolecule(); Core::Array bonds = undoMolecule->bonds(currentAtom); for (auto& it : bonds) { if (it != bond) { // Skip the current bond const RWAtom nextAtom = it.getOtherAtom(currentAtom); if (nextAtom != startAtom && nextAtom != bondedAtom) { // Skip atoms that have already been added. This prevents infinite // recursion on cycles in the fragments int uid = undoMolecule->atomUniqueId(nextAtom); if (!fragmentHasAtom(uid)) { m_fragment.push_back(uid); if (!fragmentRecurse(it, startAtom, nextAtom)) return false; } } else if (nextAtom == bondedAtom) { // If we've found the bonded atom, the bond is in a cycle return false; } } // *it != bond } // foreach bond return true; } inline bool PropertyModel::fragmentHasAtom(int uid) const { return std::find(m_fragment.begin(), m_fragment.end(), uid) != m_fragment.end(); } void PropertyModel::transformFragment() const { auto* undoMolecule = m_molecule->undoMolecule(); undoMolecule->beginMergeMode(tr("Adjust Fragment")); for (int it : m_fragment) { RWAtom atom = m_molecule->undoMolecule()->atomByUniqueId(it); if (atom.isValid()) { Vector3 pos = atom.position3d(); pos = m_transform * pos; atom.setPosition3d(pos); } } undoMolecule->endMergeMode(); } void PropertyModel::setBondLength(unsigned int index, double length) { if (m_molecule == nullptr) return; if (index >= m_molecule->bondCount()) return; // figure out how much to move and the vector of displacement auto bond = m_molecule->undoMolecule()->bond(index); Vector3 v1 = bond.atom1().position3d(); Vector3 v2 = bond.atom2().position3d(); Vector3 diff = v2 - v1; double currentLength = diff.norm(); diff.normalize(); Vector3 delta = diff * (length - currentLength); buildFragment(bond, bond.atom2()); m_transform.setIdentity(); m_transform.translate(delta); transformFragment(); m_molecule->emitChanged(QtGui::Molecule::Modified | QtGui::Molecule::Atoms); } void PropertyModel::setAngle(unsigned int index, double newValue) { // the index refers to the angle auto angle = m_angles[index]; auto atom1 = m_molecule->undoMolecule()->atom(std::get<0>(angle)); auto atom2 = m_molecule->undoMolecule()->atom(std::get<1>(angle)); auto atom3 = m_molecule->undoMolecule()->atom(std::get<2>(angle)); auto bond = m_molecule->undoMolecule()->bond(atom1, atom2); Vector3 a = atom1.position3d(); Vector3 b = atom2.position3d(); Vector3 c = atom3.position3d(); const double currentValue = calculateAngle(a, b, c); Vector3 ab = b - a; Vector3 bc = c - b; // Axis of rotation is the cross product of the vectors const Vector3 axis((ab.cross(bc)).normalized()); // Angle of rotation const double change = (newValue - currentValue) * M_PI / 180.0; // Build transform m_transform.setIdentity(); m_transform.translate(b); m_transform.rotate(Eigen::AngleAxis(-change, axis)); m_transform.translate(-b); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(bond, atom2); // Perform transformation transformFragment(); } void PropertyModel::setTorsion(unsigned int index, double newValue) { auto torsion = m_torsions[index]; auto atom1 = m_molecule->undoMolecule()->atom(std::get<0>(torsion)); auto atom2 = m_molecule->undoMolecule()->atom(std::get<1>(torsion)); auto atom3 = m_molecule->undoMolecule()->atom(std::get<2>(torsion)); auto atom4 = m_molecule->undoMolecule()->atom(std::get<3>(torsion)); auto bond = m_molecule->undoMolecule()->bond(atom2, atom3); Vector3 a = atom1.position3d(); Vector3 b = atom2.position3d(); Vector3 c = atom3.position3d(); Vector3 d = atom4.position3d(); const double currentValue = calculateDihedral(a, b, c, d); // Axis of rotation const Vector3 axis((c - b).normalized()); // Angle of rotation const double change = (newValue - currentValue) * M_PI / 180.0; // Build transform m_transform.setIdentity(); m_transform.translate(c); m_transform.rotate(Eigen::AngleAxis(change, axis)); m_transform.translate(-c); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(bond, atom3); // Perform transformation transformFragment(); } QStringList PropertyModel::availableChargeTypes() const { QStringList result; if (m_molecule == nullptr) return result; // add types available from charge calculators const auto options = Calc::ChargeManager::instance().identifiersForMolecule(*m_molecule); for (const auto& model : options) { std::string t = Calc::ChargeManager::instance().nameForModel(model); QString name = QString::fromStdString(t); if (!result.contains(name)) result << name; } return result; } void PropertyModel::setChargeType(const QString& type) { m_chargeType = type; // refresh the partial charge column and header beginResetModel(); endResetModel(); } void PropertyModel::setMolecule(QtGui::Molecule* molecule) { if (molecule && molecule != m_molecule) { m_molecule = molecule; // Initialize structure tracking for change detection m_lastAtomCount = molecule->atomCount(); m_lastBondCount = molecule->bondCount(); updateCache(); connect(m_molecule, SIGNAL(changed(unsigned int)), this, SLOT(updateTable(unsigned int))); } } QString PropertyModel::secStructure(unsigned int type) const { switch (type) { case SecondaryStructure::piHelix: return tr("π Helix", "pi helix"); case SecondaryStructure::bend: return tr("Bend", "protein bend secondary structure"); case SecondaryStructure::alphaHelix: return tr("α Helix", "alpha helix"); case SecondaryStructure::betaSheet: return tr("β Sheet", "beta sheet"); case SecondaryStructure::helix310: return tr("3-10 helix", "3-10 helix"); case SecondaryStructure::betaBridge: return tr("β Bridge", "beta bridge"); case SecondaryStructure::turn: return tr("Turn", "protein turn secondary structure"); case SecondaryStructure::coil: return tr("Coil", "protein coil secondary structure"); default: return QString(); // implied unknown } } void PropertyModel::updateTable(unsigned int flags) { // During animation/vibration, coordinates change rapidly but the table // structure (number of atoms, bonds, etc.) remains the same. We can skip // updates when only coordinates changed (Atoms flag without Added/Removed). // // Note: Some code (e.g., vibrations) incorrectly uses Added flag for // coordinate changes. We detect actual structural changes by checking // if the counts changed. bool structureChanged = false; if (m_molecule != nullptr) { // Check if the actual structure changed (not just coordinates) Index currentAtomCount = m_molecule->atomCount(); Index currentBondCount = m_molecule->bondCount(); if (currentAtomCount != m_lastAtomCount || currentBondCount != m_lastBondCount) { structureChanged = true; m_lastAtomCount = currentAtomCount; m_lastBondCount = currentBondCount; } } if (!structureChanged) { // For coordinate-only changes, just invalidate the cache // This avoids race conditions during rapid animation updates m_validCache = false; return; } // For structural changes, do a full model reset // Use beginResetModel/endResetModel to ensure thread-safe updates updateCache(); beginResetModel(); endResetModel(); } void PropertyModel::updateCache() const { m_validCache = true; m_angles.clear(); m_torsions.clear(); if (m_molecule == nullptr) return; if (m_type == AngleType) { Core::AngleIterator aIter(m_molecule); auto angle = aIter.begin(); while (angle != aIter.end()) { m_angles.push_back(angle); angle = ++aIter; } } else if (m_type == TorsionType) { Core::DihedralIterator dIter(m_molecule); auto torsion = dIter.begin(); while (torsion != dIter.end()) { m_torsions.push_back(torsion); torsion = ++dIter; } } } Core::Angle PropertyModel::getAngle(unsigned int angle) const { if (angle >= m_angles.size()) return Core::Angle(); return m_angles[angle]; } Real PropertyModel::getAngleValue(unsigned int angle) const { if (angle >= m_angles.size()) return 0.0; auto a = m_angles[angle]; auto atom1 = m_molecule->undoMolecule()->atom(std::get<0>(a)); auto atom2 = m_molecule->undoMolecule()->atom(std::get<1>(a)); auto atom3 = m_molecule->undoMolecule()->atom(std::get<2>(a)); Vector3 a1 = atom1.position3d(); Vector3 a2 = atom2.position3d(); Vector3 a3 = atom3.position3d(); return calculateAngle(a1, a2, a3); } Core::Dihedral PropertyModel::getTorsion(unsigned int torsion) const { if (torsion >= m_torsions.size()) return Core::Dihedral(); return m_torsions[torsion]; } Real PropertyModel::getTorsionValue(unsigned int torsion) const { if (torsion >= m_torsions.size()) return 0.0; auto t = m_torsions[torsion]; auto atom1 = m_molecule->undoMolecule()->atom(std::get<0>(t)); auto atom2 = m_molecule->undoMolecule()->atom(std::get<1>(t)); auto atom3 = m_molecule->undoMolecule()->atom(std::get<2>(t)); auto atom4 = m_molecule->undoMolecule()->atom(std::get<3>(t)); Vector3 a1 = atom1.position3d(); Vector3 a2 = atom2.position3d(); Vector3 a3 = atom3.position3d(); Vector3 a4 = atom4.position3d(); return calculateDihedral(a1, a2, a3, a4); } } // end namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/propertymodel.h000066400000000000000000000111351516317240700314600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef PROPMODEL_H #define PROPMODEL_H #include #include #include #include #include #include #include #include namespace Avogadro { namespace QtGui { class Molecule; } enum PropertyType { Other = 0, AtomType, BondType, AngleType, TorsionType, ConformerType, ResidueType, MoleculeType, }; class PropertyModel : public QAbstractTableModel { Q_OBJECT public slots: void updateTable(unsigned int flags); public: explicit PropertyModel(PropertyType type, QObject* parent = nullptr); int rowCount(const QModelIndex& parent = QModelIndex()) const override; int columnCount(const QModelIndex& parent = QModelIndex()) const override; QVariant data(const QModelIndex& index, int role) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role = Qt::EditRole) override; QVariant headerData(int section, Qt::Orientation orientation, int role = Qt::DisplayRole) const override; void setMolecule(QtGui::Molecule* molecule); // Return what type of model this is PropertyType type() const { return m_type; }; bool isColorIndex(const QModelIndex& index) const; // Partial charge type selection QStringList availableChargeTypes() const; void setChargeType(const QString& type); QString chargeType() const { return m_chargeType; } // Generate all data pertaining to angles and torsions void updateCache() const; // Get the angle for a given index Core::Angle getAngle(unsigned int angle) const; Real getAngleValue(unsigned int angle) const; // Get the torson for a given index Core::Dihedral getTorsion(unsigned int torsion) const; Real getTorsionValue(unsigned int torsion) const; private: PropertyType m_type; QtGui::Molecule* m_molecule; QString m_chargeType; // user-selected charge type override (empty = auto) mutable bool m_validCache; mutable std::vector m_angles; mutable std::vector m_torsions; // Track structure counts to detect actual structural changes vs // coordinate-only mutable Index m_lastAtomCount = 0; mutable Index m_lastBondCount = 0; QString secStructure(unsigned int type) const; std::vector m_fragment; Eigen::Affine3d m_transform; bool fragmentHasAtom(int uid) const; void buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom); bool fragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom); void setBondLength(unsigned int index, double value); void setAngle(unsigned int index, double newValue); void setTorsion(unsigned int index, double newValue); void transformFragment() const; QtGui::RWAtom otherBondedAtom(const QtGui::RWBond& bond, const QtGui::RWAtom& atom) const { return bond.atom1() == atom ? bond.atom2() : bond.atom1(); } /* * For each category (atom, bond etc), an enum specifies which columns hold * which data. */ // Atom Data enum AtomColumn { AtomDataElement = 0, AtomDataValence, AtomDataFormalCharge, AtomDataPartialCharge, AtomDataX, AtomDataY, AtomDataZ, AtomDataLabel, AtomDataIsotope, AtomDataColor, AtomDataCustom, }; // Bond Data enum BondColumn { BondDataType = 0, BondDataAtom1, BondDataAtom2, BondDataOrder, BondDataLength, BondDataLabel }; // Angle Data enum AngleColumn { AngleDataType = 0, AngleDataAtom1, AngleDataAtom2, AngleDataAtom3, AngleDataValue }; // Torsion Data enum TorsionColumn { TorsionDataType = 0, TorsionDataAtom1, TorsionDataAtom2, TorsionDataAtom3, TorsionDataAtom4, TorsionDataValue }; // Conformer Data enum ConformerColumn { ConformerDataRMSD = 0, ConformerDataEnergy }; // Residue Data enum ResidueColumn { ResidueDataName = 0, ResidueDataID, ResidueDataChain, ResidueDataSecStructure, ResidueDataLabel, ResidueDataColor, ResidueDataHeterogen }; }; } // end namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/propertytables.cpp000066400000000000000000000132561516317240700321730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "propertytables.h" #include "propertymodel.h" #include "propertyview.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PropertyTables::PropertyTables(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr) { auto* action = new QAction(this); action->setText(tr("Atom Properties…")); action->setData(PropertyType::AtomType); action->setProperty("menu priority", 880); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Bond Properties…")); action->setData(PropertyType::BondType); action->setProperty("menu priority", 870); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Angle Properties…")); action->setData(PropertyType::AngleType); action->setProperty("menu priority", 860); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Torsion Properties…")); action->setData(PropertyType::TorsionType); action->setProperty("menu priority", 850); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Residue Properties…")); action->setData(PropertyType::ResidueType); action->setProperty("menu priority", 840); action->setEnabled(false); // changed by molecule connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Conformer Properties…")); action->setData(PropertyType::ConformerType); action->setProperty("menu priority", 830); action->setEnabled(false); // changed by molecule connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } PropertyTables::~PropertyTables() {} QString PropertyTables::description() const { return tr("Tables for displaying and editing atom, bond, angle and torsion " "properties."); } QList PropertyTables::actions() const { return m_actions; } QStringList PropertyTables::menuPath(QAction*) const { return QStringList() << tr("&Analyze") << tr("&Properties"); } void PropertyTables::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; m_molecule = mol; updateActions(); // update if the molecule changes connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(updateActions())); } void PropertyTables::updateActions() { if (m_molecule == nullptr) return; // check if we enable / disable the residue and conformer actions bool haveResidues = (m_molecule->residueCount() > 0); // technically coordinate sets bool haveConformers = (m_molecule->coordinate3dCount() > 1); for (const auto& action : m_actions) { if (action->data().toInt() == PropertyType::ResidueType) action->setEnabled(haveResidues); else if (action->data().toInt() == PropertyType::ConformerType) action->setEnabled(haveConformers); } } void PropertyTables::showDialog() { auto* action = qobject_cast(sender()); if (action == nullptr || m_molecule == nullptr) return; if (action->data().toInt() == PropertyType::ResidueType && m_molecule->residueCount() == 0) return; if (action->data().toInt() == PropertyType::ConformerType && m_molecule->coordinate3dCount() < 2) return; auto* dialog = new QDialog(qobject_cast(parent())); auto* layout = new QVBoxLayout(dialog); dialog->setLayout(layout); // Don't show whitespace around the PropertiesView layout->setSpacing(0); layout->setContentsMargins(0, 0, 0, 0); PropertyType i = static_cast(action->data().toInt()); auto* model = new PropertyModel(i); model->setMolecule(m_molecule); // view will delete itself & model in PropertiesView::hideEvent using // deleteLater(). auto* view = new PropertyView(i, dialog); auto* proxyModel = new QSortFilterProxyModel(this); proxyModel->setSourceModel(model); proxyModel->setDynamicSortFilter(true); proxyModel->setSortLocaleAware(true); // this role will received direct floating-point numbers from the model proxyModel->setSortRole(Qt::UserRole); view->setMolecule(m_molecule); view->setModel(proxyModel); view->setSourceModel(model); view->setHorizontalScrollBarPolicy(Qt::ScrollBarAlwaysOff); view->horizontalHeader()->setStretchLastSection(true); view->resizeColumnsToContents(); layout->addWidget(view); dialog->setWindowTitle(view->windowTitle()); QSize dialogSize = dialog->size(); double width = view->horizontalHeader()->length() + view->verticalHeader()->width() + 5; if (model->rowCount() < 13) { // no scrollbar dialogSize.setHeight(view->horizontalHeader()->height() + model->rowCount() * 30 + 5); dialogSize.setWidth(width); } else { // scrollbar is needed dialogSize.setHeight(width / 1.618); dialogSize.setWidth(width + view->verticalScrollBar()->width()); } dialog->resize(dialogSize); dialog->setWindowFlags(Qt::Window); dialog->show(); dialog->raise(); dialog->activateWindow(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/propertytables.h000066400000000000000000000024061516317240700316330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PROPERTYTABLES_H #define AVOGADRO_QTPLUGINS_PROPERTYTABLES_H #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { /** * @brief The PropertyTables class is an extension to launch * a "property table" views of the molecule. */ class PropertyTables : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PropertyTables(QObject* parent_ = nullptr); ~PropertyTables() override; QString name() const override { return tr("PropertyTables"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void updateActions(); private slots: void showDialog(); private: QList m_actions; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PROPERTYTABLES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/propertyview.cpp000066400000000000000000000454501516317240700316740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "propertyview.h" #include "core/avogadrocore.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using QtGui::Molecule; PropertyView::PropertyView(PropertyType type, QWidget* parent) : QTableView(parent), m_type(type), m_molecule(nullptr), m_model(nullptr) { QString title; switch (type) { case AtomType: title = tr("Atom Properties"); break; case BondType: title = tr("Bond Properties"); break; case AngleType: title = tr("Angle Properties"); break; case TorsionType: title = tr("Torsion Properties"); break; case ConformerType: title = tr("Conformer Properties"); break; case ResidueType: title = tr("Residue Properties"); break; default: title = tr("Molecule Properties"); break; } this->setWindowTitle(title); QHeaderView* horizontal = this->horizontalHeader(); horizontal->setSectionResizeMode(QHeaderView::Interactive); horizontal->setMinimumSectionSize(75); QHeaderView* vertical = this->verticalHeader(); vertical->setSectionResizeMode(QHeaderView::Interactive); vertical->setMinimumSectionSize(30); vertical->setDefaultAlignment(Qt::AlignCenter); setCornerButtonEnabled(true); setSelectionBehavior(QAbstractItemView::SelectRows); setSelectionMode(QAbstractItemView::SingleSelection); // Alternating row colors setAlternatingRowColors(true); // Allow sorting the table setSortingEnabled(true); } void PropertyView::selectionChanged(const QItemSelection& selected, const QItemSelection& deselected) { // Guard against re-entrancy: modifying molecule selection triggers // model updates which can cause recursive calls to selectionChanged if (m_updatingSelection) return; bool ok = false; if (m_molecule == nullptr) return; m_updatingSelection = true; // Start by clearing the molecule selection for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); foreach (const QModelIndex& index, selected.indexes()) { if (!index.isValid()) { m_updatingSelection = false; return; } // Since the user can sort // we need to find the original index int rowNum = model() ->headerData(index.row(), Qt::Vertical) .toString() .split(" ") .last() .toLong(&ok) - 1; if (!ok) { m_updatingSelection = false; return; } if (m_type == PropertyType::AtomType) { if (static_cast(rowNum) >= m_molecule->atomCount()) { m_updatingSelection = false; return; } m_molecule->setAtomSelected(rowNum, true); } else if (m_type == PropertyType::BondType) { if (static_cast(rowNum) >= m_molecule->bondCount()) { m_updatingSelection = false; return; } auto bondPair = m_molecule->bondPair(rowNum); m_molecule->undoMolecule()->setAtomSelected(bondPair.first, true); m_molecule->undoMolecule()->setAtomSelected(bondPair.second, true); } else if (m_type == PropertyType::AngleType) { if (m_model != nullptr) { auto angle = m_model->getAngle(rowNum); m_molecule->undoMolecule()->setAtomSelected(std::get<0>(angle), true); m_molecule->undoMolecule()->setAtomSelected(std::get<1>(angle), true); m_molecule->undoMolecule()->setAtomSelected(std::get<2>(angle), true); } } else if (m_type == PropertyType::TorsionType) { if (m_model != nullptr) { auto torsion = m_model->getTorsion(rowNum); m_molecule->undoMolecule()->setAtomSelected(std::get<0>(torsion), true); m_molecule->undoMolecule()->setAtomSelected(std::get<1>(torsion), true); m_molecule->undoMolecule()->setAtomSelected(std::get<2>(torsion), true); m_molecule->undoMolecule()->setAtomSelected(std::get<3>(torsion), true); } } else if (m_type == PropertyType::ResidueType) { // select all the atoms in the residue if (m_model != nullptr) { const auto residue = m_molecule->residue(rowNum); auto atoms = residue.residueAtoms(); for (Index i = 0; i < atoms.size(); ++i) { const auto atom = atoms[i]; m_molecule->undoMolecule()->setAtomSelected(atom.index(), true); } } } else if (m_type == PropertyType::ConformerType) { // selecting a row means switching to that conformer m_molecule->setCoordinate3d(rowNum); } } // end loop through selected m_molecule->emitChanged(Molecule::Atoms); m_updatingSelection = false; QTableView::selectionChanged(selected, deselected); } void PropertyView::setMolecule(Molecule* molecule) { m_molecule = molecule; } void PropertyView::hideEvent(QHideEvent*) { if (model()) { model()->deleteLater(); } this->deleteLater(); } void PropertyView::keyPressEvent(QKeyEvent* event) { // handle copy event // thanks to https://www.walletfox.com/course/qtableviewcopypaste.php if (!event->matches(QKeySequence::Copy)) { QTableView::keyPressEvent(event); return; } // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } bool PropertyView::edit(const QModelIndex& index, EditTrigger trigger, QEvent* event) { if (m_model != nullptr && m_model->isColorIndex(index)) { if (m_inColorEdit) return true; m_inColorEdit = true; m_model->setData(index, QVariant(), Qt::EditRole); m_inColorEdit = false; return true; } return QTableView::edit(index, trigger, event); } void PropertyView::copySelectedRowsToClipboard() { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void PropertyView::constrainSelectedRows() { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, we're done if (selectedRows.isEmpty()) return; if (m_molecule == nullptr) return; // loop through the selected rows for (const auto& index : selectedRows) { if (!index.isValid()) continue; // get the row number bool ok; int rowNum = model() ->headerData(index.row(), Qt::Vertical) .toString() .split(" ") .last() .toLong(&ok) - 1; if (!ok) continue; if (m_type == PropertyType::BondType) { // get the start and end atoms and the distance from the table data auto bond = m_molecule->bond(rowNum); auto atom1 = bond.atom1(); auto atom2 = bond.atom2(); Real distance = bond.length(); m_molecule->addConstraint(distance, atom1.index(), atom2.index()); } else if (m_type == PropertyType::AngleType) { if (m_model != nullptr) { auto angle = m_model->getAngle(rowNum); auto atom1 = m_molecule->atom(std::get<0>(angle)); auto atom2 = m_molecule->atom(std::get<1>(angle)); auto atom3 = m_molecule->atom(std::get<2>(angle)); Real angleValue = m_model->getAngleValue(rowNum); m_molecule->addConstraint(angleValue, atom1.index(), atom2.index(), atom3.index()); } } else if (m_type == PropertyType::TorsionType) { if (m_model != nullptr) { auto torsion = m_model->getTorsion(rowNum); auto atom1 = m_molecule->atom(std::get<0>(torsion)); auto atom2 = m_molecule->atom(std::get<1>(torsion)); auto atom3 = m_molecule->atom(std::get<2>(torsion)); auto atom4 = m_molecule->atom(std::get<3>(torsion)); Real torsionValue = m_model->getTorsionValue(rowNum); m_molecule->addConstraint(torsionValue, atom1.index(), atom2.index(), atom3.index(), atom4.index()); } } } } void PropertyView::unconstrainSelectedRows() { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, we're done if (selectedRows.isEmpty()) return; if (m_molecule == nullptr) return; // loop through the selected rows for (const auto& index : selectedRows) { if (!index.isValid()) continue; // get the row number bool ok; int rowNum = model() ->headerData(index.row(), Qt::Vertical) .toString() .split(" ") .last() .toLong(&ok) - 1; if (!ok) continue; if (m_type == PropertyType::BondType) { // get the start and end atoms and the distance from the table data auto bond = m_molecule->bond(rowNum); auto atom1 = bond.atom1(); auto atom2 = bond.atom2(); m_molecule->removeConstraint(atom1.index(), atom2.index()); } else if (m_type == PropertyType::AngleType) { if (m_model != nullptr) { auto angle = m_model->getAngle(rowNum); auto atom1 = m_molecule->atom(std::get<0>(angle)); auto atom2 = m_molecule->atom(std::get<1>(angle)); auto atom3 = m_molecule->atom(std::get<2>(angle)); m_molecule->removeConstraint(atom1.index(), atom2.index(), atom3.index()); } } else if (m_type == PropertyType::TorsionType) { if (m_model != nullptr) { auto torsion = m_model->getTorsion(rowNum); auto atom1 = m_molecule->atom(std::get<0>(torsion)); auto atom2 = m_molecule->atom(std::get<1>(torsion)); auto atom3 = m_molecule->atom(std::get<2>(torsion)); auto atom4 = m_molecule->atom(std::get<3>(torsion)); m_molecule->removeConstraint(atom1.index(), atom2.index(), atom3.index(), atom4.index()); } } } } void PropertyView::freezeAtom() { setFrozen(true); } void PropertyView::unfreezeAtom() { setFrozen(false); } void PropertyView::setFrozen(bool freeze) { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, we're done if (selectedRows.isEmpty()) return; if (m_molecule == nullptr) return; // loop through the selected rows for (const auto& index : selectedRows) { if (!index.isValid()) continue; // get the row number bool ok; int rowNum = model() ->headerData(index.row(), Qt::Vertical) .toString() .split(" ") .last() .toLong(&ok) - 1; if (!ok) continue; m_molecule->setFrozenAtom(rowNum, freeze); } m_molecule->emitChanged(Molecule::Atoms); } void PropertyView::freezeX() { freezeAxis(0); } void PropertyView::freezeY() { freezeAxis(1); } void PropertyView::freezeZ() { freezeAxis(2); } void PropertyView::freezeAxis(int axis) { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, we're done if (selectedRows.isEmpty()) return; if (m_molecule == nullptr) return; // loop through the selected rows for (const auto& index : selectedRows) { if (!index.isValid()) continue; // get the row number bool ok; int rowNum = model() ->headerData(index.row(), Qt::Vertical) .toString() .split(" ") .last() .toLong(&ok) - 1; if (!ok) continue; m_molecule->setFrozenAtomAxis(rowNum, axis, true); } m_molecule->emitChanged(Molecule::Atoms); } void PropertyView::openExportDialogBox() { // Create a file dialog for selecting the export location and file name QString filePath = QFileDialog::getSaveFileName(this, tr("Export CSV"), QDir::homePath(), tr("CSV Files (*.csv);;All Files (*)")); if (filePath.isEmpty()) { // User canceled the dialog or didn't provide a file name return; } // Open the file for writing QFile file(filePath); if (!file.open(QIODevice::WriteOnly | QIODevice::Text)) { // Handle error opening the file QMessageBox::critical(this, tr("Error"), tr("Could not open the file for writing.")); return; } // Create a QTextStream to write to the file QTextStream stream(&file); // Write the header row with column names for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->headerData(col, Qt::Horizontal).toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; // Write the data rows for (int row = 0; row < model()->rowCount(); ++row) { for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->index(row, col).data().toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; } // Close the file file.close(); if (file.error() != QFile::NoError) { // Handle error closing the file QMessageBox::critical(this, tr("Error"), tr("Error writing to the file.")); } } void PropertyView::changeChargeType() { if (m_model == nullptr || m_molecule == nullptr) return; QStringList types = m_model->availableChargeTypes(); if (types.isEmpty()) return; // pre-select the current type QString current = m_model->chargeType(); int currentIndex = types.indexOf(current, 0, Qt::CaseInsensitive); if (currentIndex < 0) currentIndex = 0; bool ok = false; QString selected = QInputDialog::getItem( this, tr("Partial Charge Type"), tr("Select the partial charge type:"), types, currentIndex, false, &ok); if (ok && !selected.isEmpty()) m_model->setChargeType(selected); } void PropertyView::contextMenuEvent(QContextMenuEvent* event) { QMenu menu(this); QAction* copyAction = menu.addAction(tr("Copy")); menu.addAction(copyAction); connect(copyAction, &QAction::triggered, this, &PropertyView::copySelectedRowsToClipboard); QAction* exportAction = menu.addAction(tr("Export…")); menu.addAction(exportAction); connect(exportAction, &QAction::triggered, this, &PropertyView::openExportDialogBox); if (m_type == PropertyType::AtomType) { // change partial charge type QAction* chargeTypeAction = menu.addAction(tr("Change Charge Type…")); connect(chargeTypeAction, &QAction::triggered, this, &PropertyView::changeChargeType); menu.addSeparator(); // freeze atom QAction* freezeAtomAction = menu.addAction(tr("Freeze Atom")); menu.addAction(freezeAtomAction); connect(freezeAtomAction, &QAction::triggered, this, &PropertyView::freezeAtom); QAction* freezeX = menu.addAction(tr("Freeze X")); menu.addAction(freezeX); connect(freezeX, &QAction::triggered, this, &PropertyView::freezeX); QAction* freezeY = menu.addAction(tr("Freeze Y")); menu.addAction(freezeY); connect(freezeY, &QAction::triggered, this, &PropertyView::freezeY); QAction* freezeZ = menu.addAction(tr("Freeze Z")); menu.addAction(freezeZ); connect(freezeZ, &QAction::triggered, this, &PropertyView::freezeZ); QAction* unfreezeAtomAction = menu.addAction(tr("Unfreeze Atom")); menu.addAction(unfreezeAtomAction); connect(unfreezeAtomAction, &QAction::triggered, this, &PropertyView::unfreezeAtom); } else if (m_type != PropertyType::ResidueType) { // bond angle & torsion are similar QString name; if (m_type == PropertyType::BondType) name = tr("Constrain Bond"); else if (m_type == PropertyType::AngleType) name = tr("Constrain Angle"); else if (m_type == PropertyType::TorsionType) name = tr("Constrain Torsion"); QAction* constrainAction = menu.addAction(name); menu.addAction(constrainAction); connect(constrainAction, &QAction::triggered, this, &PropertyView::constrainSelectedRows); QAction* unconstrainAction = menu.addAction(tr("Remove Constraint")); menu.addAction(unconstrainAction); connect(unconstrainAction, &QAction::triggered, this, &PropertyView::unconstrainSelectedRows); } menu.exec(event->globalPos()); } } // end namespace Avogadro OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/propertytables/propertyview.h000066400000000000000000000032651516317240700313370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PROPERTYVIEW_H #define AVOGADRO_QTPLUGINS_PROPERTYVIEW_H #include "propertymodel.h" #include class QProgressDialog; namespace Avogadro { namespace QtGui { class Molecule; } class PropertyView : public QTableView { Q_OBJECT public: explicit PropertyView(PropertyType type, QWidget* parent = nullptr); void selectionChanged(const QItemSelection& selected, const QItemSelection& previous) override; void setMolecule(QtGui::Molecule* molecule); void setSourceModel(PropertyModel* model) { m_model = model; } void hideEvent(QHideEvent* event) override; void contextMenuEvent(QContextMenuEvent* event) override; protected: // copy the selected properties to the clipboard void keyPressEvent(QKeyEvent* event) override; bool edit(const QModelIndex& index, EditTrigger trigger, QEvent* event) override; private: PropertyType m_type; QtGui::Molecule* m_molecule; PropertyModel* m_model; bool m_updatingSelection = false; bool m_inColorEdit = false; void copySelectedRowsToClipboard(); void openExportDialogBox(); void constrainSelectedRows(); void unconstrainSelectedRows(); void setFrozen(bool frozen); void freezeAtom(); void unfreezeAtom(); void freezeX(); void freezeY(); void freezeZ(); void freezeAxis(int axis); void changeChargeType(); }; } // end namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/000077500000000000000000000000001516317240700244355ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/CMakeLists.txt000066400000000000000000000015021516317240700271730ustar00rootroot00000000000000set(qtaimextension_SRCS qtaimextension.cpp qtaimwavefunction.cpp qtaimwavefunctionevaluator.cpp qtaimodeintegrator.cpp qtaimcriticalpointlocator.cpp qtaimmathutilities.cpp qtaimodeintegrator.cpp qtaimlsodaintegrator.cpp qtaimcubature.cpp ) avogadro_plugin(QTAIMExtension "QTAIM extension" ExtensionPlugin qtaimextension.h QTAIMExtension "${qtaimextension_SRCS}" ) target_link_libraries(QTAIMExtension PRIVATE Qt::Concurrent) # The settings widget is not built -- its settings weren't actually used by the # engine in Avogadro 1. The sources are kept for later if we decide to use it. avogadro_plugin(QTAIMScenePlugin "QTAIM scene plugin" ScenePlugin qtaimengine.h QTAIMEngine qtaimengine.cpp ) target_link_libraries(QTAIMScenePlugin PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp000066400000000000000000000651511516317240700324350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimcriticalpointlocator.h" #include "qtaimlsodaintegrator.h" #include "qtaimmathutilities.h" #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include #include #include #include #include #include #include using namespace Eigen; #define HUGE_REAL_NUMBER 1.e20 #define SMALL_GRADIENT_NORM 1.e-4 namespace Avogadro::QtPlugins { namespace helper { template QList QTAIMLocateElectronDensityHelper(QList input) { qint64 counter = 0; const QString fileName = input.at(counter).toString(); counter++; // const qint64 nucleus=input.at(counter).toInt(); counter++ qreal x0 = input.at(counter).toReal(); counter++; qreal y0 = input.at(counter).toReal(); counter++; qreal z0 = input.at(counter).toReal(); counter++; const QVector3D x0y0z0(x0, y0, z0); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(fileName); QTAIMWavefunctionEvaluator eval(wfn); /** The following logic chain was concatenated into a single statement to remove redundant branching, for readability the following table has been included. If any of the logic checks do not meet the expected result, the return value will be `false`, else it will be `true`. logic chain breakdown: | Statement | Expected | |-----------|----------| | eval.electronDensity(x0y0z0) < 1.e-1 | false | | eval.electronDensity(xyz) > 1.e-1 | true | | eval.gradientOfElectronDensityLaplacian(xyz).norm() < 1.e-3 | true | | QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix(eval.hessianOfElectronDensityLaplacian(xyz)) == ExpectedSignatureV | true | */ // Validate initial input to avoid needless costly calculations if (eval.electronDensity(Matrix(x0, y0, z0)) < 1.e-1) { return { false }; } // QTAIMODEIntegrator // ode(eval,QTAIMODEIntegrator::CMBPMinusThreeGradientInElectronDensityLaplacian); QTAIMLSODAIntegrator ode( eval, QTAIMLSODAIntegrator::CMBPMinusThreeGradientInElectronDensityLaplacian); QVector3D result = ode.integrate(x0y0z0); Matrix xyz(result.x(), result.y(), result.z()); // since we are using `&&` operator, lazy evaluation will be used if (eval.electronDensity(xyz) > 1.e-1 && eval.gradientOfElectronDensityLaplacian(xyz).norm() < 1.e-3 && QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensityLaplacian(xyz)) == ExpectedSignatureV) { return { true, result.x(), result.y(), result.z() }; } return { false }; } } // namespace helper QList QTAIMLocateNuclearCriticalPoint(QList input) { const QString fileName = input.at(0).toString(); const qint64 nucleus = input.at(1).toInt(); const QVector3D x0y0z0(input.at(2).toReal(), input.at(3).toReal(), input.at(4).toReal()); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(fileName); QTAIMWavefunctionEvaluator eval(wfn); QVector3D result; if (wfn.nuclearCharge(nucleus) < 4) { // QTAIMODEIntegrator // ode(eval,QTAIMODEIntegrator::CMBPMinusThreeGradientInElectronDensity); QTAIMLSODAIntegrator ode( eval, QTAIMLSODAIntegrator::CMBPMinusThreeGradientInElectronDensity); result = ode.integrate(x0y0z0); } else { result = x0y0z0; } if (QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity( Matrix(result.x(), result.y(), result.z()))) == -3) { return { true, result.x(), result.y(), result.z() }; } return { false }; } QList QTAIMLocateBondCriticalPoint(QList input) { const QString wfnFileName = input.at(0).toString(); const QString nuclearCriticalPointsFileName = input.at(1).toString(); const qint64 nucleusA = input.at(2).toInt(); const qint64 nucleusB = input.at(3).toInt(); const QVector3D x0y0z0(input.at(4).toReal(), input.at(5).toReal(), input.at(6).toReal()); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QList nuclearCriticalPoints; QFile nuclearCriticalPointsFile(nuclearCriticalPointsFileName); if (!nuclearCriticalPointsFile.open(QIODevice::ReadOnly)) { QMessageBox::critical( nullptr, QObject::tr("Error"), QObject::tr("Cannot read file %1.").arg(nuclearCriticalPointsFileName)); return {}; } QDataStream nuclearCriticalPointsFileIn(&nuclearCriticalPointsFile); nuclearCriticalPointsFileIn >> nuclearCriticalPoints; nuclearCriticalPointsFile.close(); QList> betaSpheres; for (auto nuclearCriticalPoint : nuclearCriticalPoints) { QPair thisBetaSphere; thisBetaSphere.first = nuclearCriticalPoint; thisBetaSphere.second = 0.1; betaSpheres.append(thisBetaSphere); } QTAIMWavefunctionEvaluator eval(wfn); QList ncpList; // QTAIMODEIntegrator // ode(eval,QTAIMODEIntegrator::CMBPMinusOneGradientInElectronDensity); QTAIMLSODAIntegrator ode( eval, QTAIMLSODAIntegrator::CMBPMinusOneGradientInElectronDensity); QVector3D result = ode.integrate(x0y0z0); Matrix xyz(result.x(), result.y(), result.z()); if (!(QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity(xyz)) == -1) || (eval.gradientOfElectronDensity(xyz)).norm() > SMALL_GRADIENT_NORM) { return { false, result.x(), result.y(), result.z() }; } Matrix eigenvectorsOfHessian = QTAIMMathUtilities::eigenvectorsOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity(xyz)); Matrix highestEigenvectorOfHessian(eigenvectorsOfHessian(0, 2), eigenvectorsOfHessian(1, 2), eigenvectorsOfHessian(2, 2)); const qreal smallStep = 0.01; QVector3D forwardStartingPoint( result.x() + smallStep * highestEigenvectorOfHessian(0), result.y() + smallStep * highestEigenvectorOfHessian(1), result.z() + smallStep * highestEigenvectorOfHessian(2)); QVector3D backwardStartingPoint( result.x() - smallStep * highestEigenvectorOfHessian(0), result.y() - smallStep * highestEigenvectorOfHessian(1), result.z() - smallStep * highestEigenvectorOfHessian(2)); // QTAIMODEIntegrator // forwardODE(eval,QTAIMODEIntegrator::SteepestAscentPathInElectronDensity); QTAIMLSODAIntegrator forwardODE( eval, QTAIMLSODAIntegrator::SteepestAscentPathInElectronDensity); forwardODE.setBetaSpheres(betaSpheres); QVector3D forwardEndpoint = forwardODE.integrate(forwardStartingPoint); QList forwardPath = forwardODE.path(); // QTAIMODEIntegrator // backwardODE(eval,QTAIMODEIntegrator::SteepestAscentPathInElectronDensity); QTAIMLSODAIntegrator backwardODE( eval, QTAIMLSODAIntegrator::SteepestAscentPathInElectronDensity); backwardODE.setBetaSpheres(betaSpheres); QVector3D backwardEndpoint = backwardODE.integrate(backwardStartingPoint); QList backwardPath = backwardODE.path(); // Find and store the forward and backward nucleus index for pair connection // check qreal minForwardDistance = HUGE_REAL_NUMBER; qreal minBackwardDistance = HUGE_REAL_NUMBER; qint64 backwardNucleusIndex = 0; qint64 forwardNucleusIndex = 0; // cache unchanged points const Matrix forwardPoint( forwardEndpoint.x(), forwardEndpoint.y(), forwardEndpoint.z()); const Matrix backwardPoint( backwardEndpoint.x(), backwardEndpoint.y(), backwardEndpoint.z()); for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { const Matrix wavePoint(wfn.xNuclearCoordinate(n), wfn.yNuclearCoordinate(n), wfn.zNuclearCoordinate(n)); qreal fDistance = QTAIMMathUtilities::distance(forwardPoint, wavePoint); qreal bDistance = QTAIMMathUtilities::distance(backwardPoint, wavePoint); if (fDistance < minForwardDistance) { minForwardDistance = fDistance; forwardNucleusIndex = n; } if (bDistance < minBackwardDistance) { minBackwardDistance = bDistance; backwardNucleusIndex = n; } } QList value; // if statement checks if bond path connects pair if ((forwardNucleusIndex == nucleusA && backwardNucleusIndex == nucleusB) || (forwardNucleusIndex == nucleusB && backwardNucleusIndex == nucleusA)) { value.append(true); value.append(nucleusA); value.append(nucleusB); value.append(result.x()); value.append(result.y()); value.append(result.z()); const Matrix xyz_(result.x(), result.y(), result.z()); value.append(eval.laplacianOfElectronDensity(xyz_)); value.append(QTAIMMathUtilities::ellipticityOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity(xyz_))); value.append(1 + forwardPath.length() + 1 + backwardPath.length() + 1); value.append(forwardEndpoint.x()); for (qint64 i = forwardPath.length() - 1; i >= 0; --i) { value.append(forwardPath.at(i).x()); } value.append(result.x()); for (auto i : backwardPath) { value.append(i.x()); } value.append(backwardEndpoint.x()); value.append(forwardEndpoint.y()); for (qint64 i = forwardPath.length() - 1; i >= 0; --i) { value.append(forwardPath.at(i).y()); } value.append(result.y()); for (auto i : backwardPath) { value.append(i.y()); } value.append(backwardEndpoint.y()); value.append(forwardEndpoint.z()); for (qint64 i = forwardPath.length() - 1; i >= 0; --i) { value.append(forwardPath.at(i).z()); } value.append(result.z()); for (auto i : backwardPath) { value.append(i.z()); } value.append(backwardEndpoint.z()); } else { value.append(false); // for debugging value.append(result.x()); value.append(result.y()); value.append(result.z()); } return value; } QList QTAIMLocateElectronDensitySink(QList input) { /** This function acts as a wrapper to consolidate code The primary functionality only deviates from other functions in its expected value for QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix(eval.hessianOfElectronDensityLaplacian(**Integrated Point**)) which is passed in as a template parameter to the helper function. At the time of writing this value is -3. */ return helper::QTAIMLocateElectronDensityHelper<-3>(input); } QList QTAIMLocateElectronDensitySource(QList input) { /** This function acts as a wrapper to consolidate code The primary functionality only deviates from other functions in its expected value for QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix(eval.hessianOfElectronDensityLaplacian(**Integrated Point**)) which is passed in as a template parameter to the helper function. At the time of writing this value is 3. */ return helper::QTAIMLocateElectronDensityHelper<3>(input); } QTAIMCriticalPointLocator::QTAIMCriticalPointLocator(QTAIMWavefunction& wfn) { m_wfn = &wfn; m_nuclearCriticalPoints.clear(); m_bondCriticalPoints.clear(); m_ringCriticalPoints.clear(); m_cageCriticalPoints.clear(); m_laplacianAtBondCriticalPoints.clear(); m_ellipticityAtBondCriticalPoints.clear(); m_bondPaths.clear(); m_bondedAtoms.clear(); m_electronDensitySources.clear(); m_electronDensitySinks.clear(); } void QTAIMCriticalPointLocator::locateNuclearCriticalPoints() { QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QList> inputList; const qint64 numberOfNuclei = m_wfn->numberOfNuclei(); for (qint64 n = 0; n < numberOfNuclei; ++n) { QList input; input.append(tempFileName); input.append(n); input.append(m_wfn->xNuclearCoordinate(n)); input.append(m_wfn->yNuclearCoordinate(n)); input.append(m_wfn->zNuclearCoordinate(n)); inputList.append(input); } m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Nuclear Critical Points Search")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateNuclearCriticalPoint); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); for (const auto& n : results) { if (n.at(0).toBool()) { QVector3D result(n.at(1).toReal(), n.at(2).toReal(), n.at(3).toReal()); m_nuclearCriticalPoints.append(result); } } } void QTAIMCriticalPointLocator::locateBondCriticalPoints() { if (m_nuclearCriticalPoints.length() < 1) { return; } const qint64 numberOfNuclei = m_wfn->numberOfNuclei(); if (numberOfNuclei < 2) { return; } QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QString nuclearCriticalPointsFileName = QTAIMCriticalPointLocator::temporaryFileName(); QFile nuclearCriticalPointsFile(nuclearCriticalPointsFileName); if (!nuclearCriticalPointsFile.open(QIODevice::WriteOnly)) { QMessageBox::critical(nullptr, QObject::tr("Error"), QObject::tr("Failed to create a temporary file.")); return; } QDataStream nuclearCriticalPointsOut(&nuclearCriticalPointsFile); nuclearCriticalPointsOut << m_nuclearCriticalPoints; nuclearCriticalPointsFile.close(); QList> inputList; for (qint64 M = 0; M < numberOfNuclei - 1; ++M) { for (qint64 N = M + 1; N < numberOfNuclei; ++N) { const qreal distanceCutoff = 8.0; Matrix a; Matrix b; a << m_wfn->xNuclearCoordinate(M), m_wfn->yNuclearCoordinate(M), m_wfn->zNuclearCoordinate(M); b << m_wfn->xNuclearCoordinate(N), m_wfn->yNuclearCoordinate(N), m_wfn->zNuclearCoordinate(N); if (QTAIMMathUtilities::distance(a, b) < distanceCutoff) { QVector3D x0y0z0( (m_wfn->xNuclearCoordinate(M) + m_wfn->xNuclearCoordinate(N)) / 2.0, (m_wfn->yNuclearCoordinate(M) + m_wfn->yNuclearCoordinate(N)) / 2.0, (m_wfn->zNuclearCoordinate(M) + m_wfn->zNuclearCoordinate(N)) / 2.0); QList input; input.append(tempFileName); input.append(nuclearCriticalPointsFileName); input.append(M); input.append(N); input.append(x0y0z0.x()); input.append(x0y0z0.y()); input.append(x0y0z0.z()); inputList.append(input); } } // end N } // end M m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Bond Critical Points Search")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateBondCriticalPoint); ; futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); file.remove(nuclearCriticalPointsFileName); for (const auto& thisCriticalPoint : results) { bool success = thisCriticalPoint.at(0).toBool(); if (success) { QPair bondedAtoms_; bondedAtoms_.first = thisCriticalPoint.at(1).toInt(); bondedAtoms_.second = thisCriticalPoint.at(2).toInt(); m_bondedAtoms.append(bondedAtoms_); QVector3D coordinates(thisCriticalPoint.at(3).toReal(), thisCriticalPoint.at(4).toReal(), thisCriticalPoint.at(5).toReal()); m_bondCriticalPoints.append(coordinates); m_laplacianAtBondCriticalPoints.append(thisCriticalPoint.at(6).toReal()); m_ellipticityAtBondCriticalPoints.append( thisCriticalPoint.at(7).toReal()); qint64 pathLength = thisCriticalPoint.at(8).toInt(); QList bondPath; for (qint64 j = 0; j < pathLength; ++j) { QVector3D pathPoint( thisCriticalPoint.at(9 + j).toReal(), thisCriticalPoint.at(9 + j + pathLength).toReal(), thisCriticalPoint.at(9 + j + 2 * pathLength).toReal()); bondPath.append(pathPoint); } m_bondPaths.append(bondPath); } } } void QTAIMCriticalPointLocator::locateElectronDensitySources() { QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QList> inputList; qreal xmin, ymin, zmin; qreal xmax, ymax, zmax; qreal xstep, ystep, zstep; // TODO: if only we were using Eigen data structures... QList xNuclearCoordinates; QList yNuclearCoordinates; QList zNuclearCoordinates; for (qint64 i = 0; i < m_wfn->numberOfNuclei(); ++i) { xNuclearCoordinates.append(m_wfn->xNuclearCoordinate(i)); yNuclearCoordinates.append(m_wfn->yNuclearCoordinate(i)); zNuclearCoordinates.append(m_wfn->zNuclearCoordinate(i)); } xmin = xNuclearCoordinates.first(); xmax = xNuclearCoordinates.first(); for (qint64 i = 1; i < m_wfn->numberOfNuclei(); ++i) { if (xNuclearCoordinates.at(i) < xmin) { xmin = xNuclearCoordinates.at(i); } if (xNuclearCoordinates.at(i) > xmax) { xmax = xNuclearCoordinates.at(i); } } ymin = yNuclearCoordinates.first(); ymax = yNuclearCoordinates.first(); for (qint64 i = 1; i < yNuclearCoordinates.count(); ++i) { if (yNuclearCoordinates.at(i) < ymin) { ymin = yNuclearCoordinates.at(i); } if (yNuclearCoordinates.at(i) > ymax) { ymax = yNuclearCoordinates.at(i); } } zmin = zNuclearCoordinates.first(); zmax = zNuclearCoordinates.first(); for (qint64 i = 1; i < zNuclearCoordinates.count(); ++i) { if (zNuclearCoordinates.at(i) < zmin) { zmin = zNuclearCoordinates.at(i); } if (zNuclearCoordinates.at(i) > zmax) { zmax = zNuclearCoordinates.at(i); } } xmin = -2.0 + xmin; ymin = -2.0 + ymin; zmin = -2.0 + zmin; xmax = 2.0 + xmax; ymax = 2.0 + ymax; zmax = 2.0 + zmax; xstep = ystep = zstep = 0.5; for (qreal x = xmin; x < xmax + xstep; x = x + xstep) { for (qreal y = ymin; y < ymax + ystep; y = y + ystep) { for (qreal z = zmin; z < zmax + zstep; z = z + zstep) { QList input; input.append(tempFileName); // input.append( n ); input.append(x); input.append(y); input.append(z); inputList.append(input); } } } m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Electron Density Sources Search")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateElectronDensitySource); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); for (const auto& n : results) { if (n.at(0).toBool()) { qreal x = n.at(1).toReal(); qreal y = n.at(2).toReal(); qreal z = n.at(3).toReal(); if ((xmin < x && x < xmax) && (ymin < y && y < ymax) && (zmin < z && z < zmax)) { QVector3D result(x, y, z); qreal smallestDistance = HUGE_REAL_NUMBER; for (auto m_electronDensitySource : m_electronDensitySources) { Matrix a(x, y, z); Matrix b(m_electronDensitySource.x(), m_electronDensitySource.y(), m_electronDensitySource.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; } } if (smallestDistance > 1.e-2) { m_electronDensitySources.append(result); } } } } // qDebug() << "SOURCES" << m_electronDensitySources; } void QTAIMCriticalPointLocator::locateElectronDensitySinks() { QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QList> inputList; qreal xmin, ymin, zmin; qreal xmax, ymax, zmax; qreal xstep, ystep, zstep; // TODO: if only we were using Eigen data structures... QList xNuclearCoordinates; QList yNuclearCoordinates; QList zNuclearCoordinates; for (qint64 i = 0; i < m_wfn->numberOfNuclei(); ++i) { xNuclearCoordinates.append(m_wfn->xNuclearCoordinate(i)); yNuclearCoordinates.append(m_wfn->yNuclearCoordinate(i)); zNuclearCoordinates.append(m_wfn->zNuclearCoordinate(i)); } xmin = xNuclearCoordinates.first(); xmax = xNuclearCoordinates.first(); for (qint64 i = 1; i < m_wfn->numberOfNuclei(); ++i) { if (xNuclearCoordinates.at(i) < xmin) { xmin = xNuclearCoordinates.at(i); } if (xNuclearCoordinates.at(i) > xmax) { xmax = xNuclearCoordinates.at(i); } } ymin = yNuclearCoordinates.first(); ymax = yNuclearCoordinates.first(); for (qint64 i = 1; i < yNuclearCoordinates.count(); ++i) { if (yNuclearCoordinates.at(i) < ymin) { ymin = yNuclearCoordinates.at(i); } if (yNuclearCoordinates.at(i) > ymax) { ymax = yNuclearCoordinates.at(i); } } zmin = zNuclearCoordinates.first(); zmax = zNuclearCoordinates.first(); for (qint64 i = 1; i < zNuclearCoordinates.count(); ++i) { if (zNuclearCoordinates.at(i) < zmin) { zmin = zNuclearCoordinates.at(i); } if (zNuclearCoordinates.at(i) > zmax) { zmax = zNuclearCoordinates.at(i); } } xmin = -2.0 + xmin; ymin = -2.0 + ymin; zmin = -2.0 + zmin; xmax = 2.0 + xmax; ymax = 2.0 + ymax; zmax = 2.0 + zmax; xstep = ystep = zstep = 0.5; for (qreal x = xmin; x < xmax + xstep; x = x + xstep) { for (qreal y = ymin; y < ymax + ystep; y = y + ystep) { for (qreal z = zmin; z < zmax + zstep; z = z + zstep) { QList input; input.append(tempFileName); // input.append( n ); input.append(x); input.append(y); input.append(z); inputList.append(input); } } } m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Electron Density Sinks Search")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateElectronDensitySink); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); for (const auto& n : results) { if (n.at(0).toBool()) { qreal x = n.at(1).toReal(); qreal y = n.at(2).toReal(); qreal z = n.at(3).toReal(); if ((xmin < x && x < xmax) && (ymin < y && y < ymax) && (zmin < z && z < zmax)) { QVector3D result(x, y, z); qreal smallestDistance = HUGE_REAL_NUMBER; for (auto m_electronDensitySink : m_electronDensitySinks) { Matrix a(x, y, z); Matrix b(m_electronDensitySink.x(), m_electronDensitySink.y(), m_electronDensitySink.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; } } if (smallestDistance > 1.e-2) { m_electronDensitySinks.append(result); } } } } // qDebug() << "SINKS" << m_electronDensitySinks; } QString QTAIMCriticalPointLocator::temporaryFileName() { QTemporaryFile temporaryFile; temporaryFile.open(); QString tempFileName = temporaryFile.fileName(); temporaryFile.close(); temporaryFile.remove(); // wait for temporary file to be deleted QDir dir; do { // Nothing } while (dir.exists(tempFileName)); return tempFileName; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h000066400000000000000000000050031516317240700320700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMCRITICALPOINTLOCATOR_H #define QTAIMCRITICALPOINTLOCATOR_H #include "qtaimwavefunction.h" #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMCriticalPointLocator { public: explicit QTAIMCriticalPointLocator(QTAIMWavefunction& wfn); void locateNuclearCriticalPoints(); void locateBondCriticalPoints(); void locateElectronDensitySources(); void locateElectronDensitySinks(); QList nuclearCriticalPoints() const { return m_nuclearCriticalPoints; } QList bondCriticalPoints() const { return m_bondCriticalPoints; } QList ringCriticalPoints() const { return m_ringCriticalPoints; } QList cageCriticalPoints() const { return m_cageCriticalPoints; } QList laplacianAtBondCriticalPoints() const { return m_laplacianAtBondCriticalPoints; } QList ellipticityAtBondCriticalPoints() const { return m_ellipticityAtBondCriticalPoints; } QList> bondPaths() { return m_bondPaths; } QList> bondedAtoms() { return m_bondedAtoms; } QList electronDensitySources() const { return m_electronDensitySources; } QList electronDensitySinks() const { return m_electronDensitySinks; } private: QTAIMWavefunction* m_wfn; QList m_nuclearCriticalPoints; QList m_bondCriticalPoints; QList m_ringCriticalPoints; QList m_cageCriticalPoints; QList m_laplacianAtBondCriticalPoints; QList m_ellipticityAtBondCriticalPoints; QList> m_bondedAtoms; QList> m_bondPaths; QList m_electronDensitySources; QList m_electronDensitySinks; QString temporaryFileName(); }; } // namespace Avogadro::QtPlugins #endif // QTAIMCRITICALPOINTLOCATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimcubature.cpp000066400000000000000000002063321516317240700300150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the GPL v3 or later (the "License"). You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* Based on */ /* http://ab-initio.mit.edu/cubature/cubature-20101018.tgz */ /* Adaptive multidimensional integration of a vector of integrands. * * Copyright (c) 2005-2010 Steven G. Johnson * * Portions (see comments) based on HIntLib (also distributed under * the GNU GPL, v2 or later), copyright (c) 2002-2005 Rudolf Schuerer. * (http://www.cosy.sbg.ac.at/~rschuer/hintlib/) * * Portions (see comments) based on GNU GSL (also distributed under * the GNU GPL, v2 or later), copyright (c) 1996-2000 Brian Gough. * (http://www.gnu.org/software/gsl/) * * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation; either version 2 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA * */ #include "qtaimcubature.h" #include "qtaimcriticalpointlocator.h" #include "qtaimlsodaintegrator.h" #include "qtaimmathutilities.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include /* Adaptive multidimensional integration on hypercubes (or, really, hyper-rectangles) using cubature rules. A cubature rule takes a function and a hypercube and evaluates the function at a small number of points, returning an estimate of the integral as well as an estimate of the error, and also a suggested dimension of the hypercube to subdivide. Given such a rule, the adaptive integration is simple: 1) Evaluate the cubature rule on the hypercube(s). Stop if converged. 2) Pick the hypercube with the largest estimated error, and divide it in two along the suggested dimension. 3) Goto (1). The basic algorithm is based on the adaptive cubature described in A. C. Genz and A. A. Malik, "An adaptive algorithm for numeric integration over an N-dimensional rectangular region," J. Comput. Appl. Math. 6 (4), 295-302 (1980). and subsequently extended to integrating a vector of integrands in J. Berntsen, T. O. Espelid, and A. Genz, "An adaptive algorithm for the approximate calculation of multiple integrals," ACM Trans. Math. Soft. 17 (4), 437-451 (1991). Note, however, that we do not use any of code from the above authors (in part because their code is Fortran 77, but mostly because it is under the restrictive ACM copyright license). I did make use of some GPL code from Rudolf Schuerer's HIntLib and from the GNU Scientific Library as listed in the copyright notice above, on the other hand. I am also grateful to Dmitry Turbiner , who implemented an initial prototype of the "vectorized" functionality for evaluating multiple points in a single call (as opposed to multiple functions in a single call). (Although Dmitry implemented a working version, I ended up re-implementing this feature from scratch as part of a larger code-cleanup, and in order to have a single code path for the vectorized and non-vectorized APIs. I subsequently implemented the algorithm by Gladwell to extract even more parallelism by evaluating many hypercubes at once.) TODO: * Putting these routines into the GNU GSL library would be nice. * A Python interface would be nice. (Also a Matlab interface, a GNU Octave interface, ...) * For high-dimensional integrals, it would be nice to implement a sparse-grid cubature scheme using Clenshaw-Curtis quadrature. Currently, for dimensions > 7 or so, quasi Monte Carlo methods win. * Berntsen et. al also describe a "two-level" error estimation scheme that they claim makes the algorithm more robust. It might be nice to implement this, at least as an option (although I seem to remember trying it once and it made the number of evaluations substantially worse for my test integrands). */ /* USAGE: Call adapt_integrate with your function as described in cubature.h. To compile a test program, compile cubature.c with -DTEST_INTEGRATOR as described at the end. */ using namespace Avogadro::QtPlugins; /* error return codes */ #define SUCCESS 0 #define FAILURE 1 /***************************************************************************/ /* Basic datatypes */ using esterr = struct { double val, err; }; static double relError(esterr ee) { return (ee.val == 0.0 ? HUGE_VAL : fabs(ee.err / ee.val)); } static double errMax(unsigned int fdim, const esterr* ee) { double errmax = 0; unsigned int k; for (k = 0; k < fdim; ++k) if (ee[k].err > errmax) errmax = ee[k].err; return errmax; } using hypercube = struct { unsigned int dim; double* data; /* length 2*dim = center followed by half-widths */ double vol; /* cache volume = product of widths */ }; static double compute_vol(const hypercube* h) { unsigned int i; double vol = 1; for (i = 0; i < h->dim; ++i) vol *= 2 * h->data[i + h->dim]; return vol; } static hypercube make_hypercube(unsigned int dim, const double* center, const double* halfwidth) { unsigned int i; hypercube h; h.dim = dim; h.data = (double*)malloc(sizeof(double) * dim * 2); h.vol = 0; if (h.data) { for (i = 0; i < dim; ++i) { h.data[i] = center[i]; h.data[i + dim] = halfwidth[i]; } h.vol = compute_vol(&h); } return h; } static hypercube make_hypercube_range(unsigned int dim, const double* xmin, const double* xmax) { hypercube h = make_hypercube(dim, xmin, xmax); unsigned int i; if (h.data) { for (i = 0; i < dim; ++i) { h.data[i] = 0.5 * (xmin[i] + xmax[i]); h.data[i + dim] = 0.5 * (xmax[i] - xmin[i]); } h.vol = compute_vol(&h); } return h; } static void destroy_hypercube(hypercube* h) { free(h->data); h->dim = 0; } using region = struct { hypercube h; unsigned int splitDim; unsigned int fdim; /* dimensionality of vector integrand */ esterr* ee; /* array of length fdim */ double errmax; /* max ee[k].err */ }; static region make_region(const hypercube* h, unsigned int fdim) { region R; R.h = make_hypercube(h->dim, h->data, h->data + h->dim); R.splitDim = 0; R.fdim = fdim; R.ee = R.h.data ? (esterr*)malloc(sizeof(esterr) * fdim) : nullptr; return R; } static void destroy_region(region* R) { destroy_hypercube(&R->h); free(R->ee); R->ee = nullptr; } static int cut_region(region* R, region* R2) { unsigned int d = R->splitDim, dim = R->h.dim; *R2 = *R; R->h.data[d + dim] *= 0.5; R->h.vol *= 0.5; R2->h = make_hypercube(dim, R->h.data, R->h.data + dim); if (!R2->h.data) return FAILURE; R->h.data[d] -= R->h.data[d + dim]; R2->h.data[d] += R->h.data[d + dim]; R2->ee = (esterr*)malloc(sizeof(esterr) * R2->fdim); return R2->ee == nullptr; } struct rule_s; /* forward declaration */ using evalError_func = int (*)(struct rule_s*, unsigned int, integrand_v, void*, unsigned int, region*); using destroy_func = void (*)(struct rule_s*); using rule = struct rule_s { unsigned int dim, fdim; /* the dimensionality & number of functions */ unsigned int num_points; /* number of evaluation points */ unsigned int num_regions; /* max number of regions evaluated at once */ double* pts; /* points to eval: num_regions * num_points * dim */ double* vals; /* num_regions * num_points * fdim */ evalError_func evalError; destroy_func destroy; }; static void destroy_rule(rule* r) { if (r) { if (r->destroy) r->destroy(r); free(r->pts); free(r); } } static int alloc_rule_pts(rule* r, unsigned int num_regions) { if (num_regions > r->num_regions) { free(r->pts); r->pts = r->vals = nullptr; r->num_regions = 0; num_regions *= 2; /* allocate extra so that repeatedly calling alloc_rule_pts with growing num_regions only needs a logarithmic number of allocations */ r->pts = (double*)malloc( sizeof(double) * (num_regions * r->num_points * (r->dim + r->fdim))); if (r->fdim + r->dim > 0 && !r->pts) return FAILURE; r->vals = r->pts + num_regions * r->num_points * r->dim; r->num_regions = num_regions; } return SUCCESS; } static rule* make_rule(size_t sz, /* >= sizeof(rule) */ unsigned int dim, unsigned int fdim, unsigned int num_points, evalError_func evalError, destroy_func destroy) { rule* r; if (sz < sizeof(rule)) return nullptr; r = (rule*)malloc(sz); if (!r) return nullptr; r->pts = r->vals = nullptr; r->num_regions = 0; r->dim = dim; r->fdim = fdim; r->num_points = num_points; r->evalError = evalError; r->destroy = destroy; return r; } /* note: all regions must have same fdim */ static int eval_regions(unsigned int nR, region* R, integrand_v f, void* fdata, rule* r) { unsigned int iR; if (nR == 0) return SUCCESS; /* nothing to evaluate */ if (r->evalError(r, R->fdim, f, fdata, nR, R)) return FAILURE; for (iR = 0; iR < nR; ++iR) R[iR].errmax = errMax(R->fdim, R[iR].ee); return SUCCESS; } /***************************************************************************/ /* Functions to loop over points in a hypercube. */ /* Based on orbitrule.cpp in HIntLib-0.0.10 */ /* ls0 returns the least-significant 0 bit of n (e.g. it returns 0 if the LSB is 0, it returns 1 if the 2 LSBs are 01, etcetera). */ static unsigned int ls0(unsigned int n) { #if defined(__GNUC__) && \ ((__GNUC__ == 3 && __GNUC_MINOR__ >= 4) || __GNUC__ > 3) return __builtin_ctz(~n); /* gcc builtin for version >= 3.4 */ #else const unsigned int bits[256] = { 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 6, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 7, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 6, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 8, }; unsigned int bit = 0; while ((n & 0xff) == 0xff) { n >>= 8; bit += 8; } return bit + bits[n & 0xff]; #endif } /** * Evaluate the integration points for all 2^n points (+/-r,...+/-r) * * A Gray-code ordering is used to minimize the number of coordinate updates * in p, although this doesn't matter as much now that we are saving all pts. */ static void evalR_Rfs(double* pts, unsigned int dim, double* p, const double* c, const double* r) { unsigned int i; unsigned int signs = 0; /* 0/1 bit = +/- for corresponding element of r[] */ /* We start with the point where r is ADDed in every coordinate (this implies signs=0). */ for (i = 0; i < dim; ++i) p[i] = c[i] + r[i]; /* Loop through the points in Gray-code ordering */ for (i = 0;; ++i) { unsigned int mask, d; memcpy(pts, p, sizeof(double) * dim); pts += dim; d = ls0(i); /* which coordinate to flip */ if (d >= dim) break; /* flip the d-th bit and add/subtract r[d] */ mask = 1U << d; signs ^= mask; p[d] = (signs & mask) ? c[d] - r[d] : c[d] + r[d]; } } static void evalRR0_0fs(double* pts, unsigned int dim, double* p, const double* c, const double* r) { unsigned int i, j; for (i = 0; i < dim - 1; ++i) { p[i] = c[i] - r[i]; for (j = i + 1; j < dim; ++j) { p[j] = c[j] - r[j]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] + r[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[j] = c[j] + r[j]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] - r[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[j] = c[j]; /* Done with j -> Restore p[j] */ } p[i] = c[i]; /* Done with i -> Restore p[i] */ } } static void evalR0_0fs4d(double* pts, unsigned int dim, double* p, const double* c, const double* r1, const double* r2) { unsigned int i; memcpy(pts, p, sizeof(double) * dim); pts += dim; for (i = 0; i < dim; i++) { p[i] = c[i] - r1[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] + r1[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] - r2[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] + r2[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i]; } } #define num0_0(dim) (1U) #define numR0_0fs(dim) (2 * (dim)) #define numRR0_0fs(dim) (2 * (dim) * (dim - 1)) #define numR_Rfs(dim) (1U << (dim)) /***************************************************************************/ /* Based on rule75genzmalik.cpp in HIntLib-0.0.10: An embedded cubature rule of degree 7 (embedded rule degree 5) due to A. C. Genz and A. A. Malik. See: A. C. Genz and A. A. Malik, "An imbedded [sic] family of fully symmetric numerical integration rules," SIAM J. Numer. Anal. 20 (3), 580-588 (1983). */ using rule75genzmalik = struct { rule parent; /* temporary arrays of length dim */ double *widthLambda, *widthLambda2, *p; /* dimension-dependent constants */ double weight1, weight3, weight5; double weightE1, weightE3; }; #define real(x) ((double)(x)) #define to_int(n) ((int)(n)) static int isqr(int x) { return x * x; } static void destroy_rule75genzmalik(rule* r_) { auto* r = (rule75genzmalik*)r_; free(r->p); } static int rule75genzmalik_evalError(rule* r_, unsigned int fdim, integrand_v f, void* fdata, unsigned int nR, region* R) { /* lambda2 = sqrt(9/70), lambda4 = sqrt(9/10), lambda5 = sqrt(9/19) */ const double lambda2 = 0.3585685828003180919906451539079374954541; const double lambda4 = 0.9486832980505137995996680633298155601160; const double lambda5 = 0.6882472016116852977216287342936235251269; const double weight2 = 980. / 6561.; const double weight4 = 200. / 19683.; const double weightE2 = 245. / 486.; const double weightE4 = 25. / 729.; const double ratio = (lambda2 * lambda2) / (lambda4 * lambda4); auto* r = (rule75genzmalik*)r_; unsigned int i, j, iR, dim = r_->dim, npts = 0; double *diff, *pts, *vals; if (alloc_rule_pts(r_, nR)) return FAILURE; pts = r_->pts; vals = r_->vals; for (iR = 0; iR < nR; ++iR) { const double* center = R[iR].h.data; const double* halfwidth = R[iR].h.data + dim; for (i = 0; i < dim; ++i) r->p[i] = center[i]; for (i = 0; i < dim; ++i) r->widthLambda2[i] = halfwidth[i] * lambda2; for (i = 0; i < dim; ++i) r->widthLambda[i] = halfwidth[i] * lambda4; /* Evaluate points in the center, in (lambda2,0,...,0) and (lambda3=lambda4, 0,...,0). */ evalR0_0fs4d(pts + npts * dim, dim, r->p, center, r->widthLambda2, r->widthLambda); npts += num0_0(dim) + 2 * numR0_0fs(dim); /* Calculate points for (lambda4, lambda4, 0, ...,0) */ evalRR0_0fs(pts + npts * dim, dim, r->p, center, r->widthLambda); npts += numRR0_0fs(dim); /* Calculate points for (lambda5, lambda5, ..., lambda5) */ for (i = 0; i < dim; ++i) r->widthLambda[i] = halfwidth[i] * lambda5; evalR_Rfs(pts + npts * dim, dim, r->p, center, r->widthLambda); npts += numR_Rfs(dim); } /* Evaluate the integrand function(s) at all the points */ f(dim, npts, pts, fdata, fdim, vals); /* we are done with the points, and so we can re-use the pts array to store the maximum difference diff[i] in each dimension for each hypercube */ diff = pts; for (i = 0; i < dim * nR; ++i) diff[i] = 0; for (j = 0; j < fdim; ++j) { for (iR = 0; iR < nR; ++iR) { double result, res5th; double val0, sum2 = 0, sum3 = 0, sum4 = 0, sum5 = 0; unsigned int k, k0 = 0; /* accumulate j-th function values into j-th integrals NOTE: this relies on the ordering of the eval functions above, as well as on the internal structure of the evalR0_0fs4d function */ val0 = vals[0]; /* central point */ k0 += 1; for (k = 0; k < dim; ++k) { double v0 = vals[k0 + 4 * k]; double v1 = vals[(k0 + 4 * k) + 1]; double v2 = vals[(k0 + 4 * k) + 2]; double v3 = vals[(k0 + 4 * k) + 3]; sum2 += v0 + v1; sum3 += v2 + v3; diff[iR * dim + k] += fabs(v0 + v1 - 2 * val0 - ratio * (v2 + v3 - 2 * val0)); } k0 += 4 * k; for (k = 0; k < numRR0_0fs(dim); ++k) sum4 += vals[k0 + k]; k0 += k; for (k = 0; k < numR_Rfs(dim); ++k) sum5 += vals[k0 + k]; /* Calculate fifth and seventh order results */ result = R[iR].h.vol * (r->weight1 * val0 + weight2 * sum2 + r->weight3 * sum3 + weight4 * sum4 + r->weight5 * sum5); res5th = R[iR].h.vol * (r->weightE1 * val0 + weightE2 * sum2 + r->weightE3 * sum3 + weightE4 * sum4); R[iR].ee[j].val = result; R[iR].ee[j].err = fabs(res5th - result); vals += r_->num_points; } } /* figure out dimension to split: */ for (iR = 0; iR < nR; ++iR) { double maxdiff = 0; unsigned int dimDiffMax = 0; for (i = 0; i < dim; ++i) if (diff[iR * dim + i] > maxdiff) { maxdiff = diff[iR * dim + i]; dimDiffMax = i; } R[iR].splitDim = dimDiffMax; } return SUCCESS; } static rule* make_rule75genzmalik(unsigned int dim, unsigned int fdim) { rule75genzmalik* r; if (dim < 2) return nullptr; /* this rule does not support 1d integrals */ /* Because of the use of a bit-field in evalR_Rfs, we are limited to be < 32 dimensions (or however many bits are in unsigned int). This is not a practical limitation...long before you reach 32 dimensions, the Genz-Malik cubature becomes excruciatingly slow and is superseded by other methods (e.g. Monte-Carlo). */ if (dim >= sizeof(unsigned int) * 8) return nullptr; r = (rule75genzmalik*)make_rule( sizeof(rule75genzmalik), dim, fdim, num0_0(dim) + 2 * numR0_0fs(dim) + numRR0_0fs(dim) + numR_Rfs(dim), rule75genzmalik_evalError, destroy_rule75genzmalik); if (!r) return nullptr; r->weight1 = (real(12824 - 9120 * to_int(dim) + 400 * isqr(to_int(dim))) / real(19683)); r->weight3 = real(1820 - 400 * to_int(dim)) / real(19683); r->weight5 = real(6859) / real(19683) / real(1U << dim); r->weightE1 = (real(729 - 950 * to_int(dim) + 50 * isqr(to_int(dim))) / real(729)); r->weightE3 = real(265 - 100 * to_int(dim)) / real(1458); r->p = (double*)malloc(sizeof(double) * dim * 3); if (!r->p) { destroy_rule((rule*)r); return nullptr; } r->widthLambda = r->p + dim; r->widthLambda2 = r->p + 2 * dim; return (rule*)r; } /***************************************************************************/ /* 1d 15-point Gaussian quadrature rule, based on qk15.c and qk.c in GNU GSL (which in turn is based on QUADPACK). */ static int rule15gauss_evalError(rule* r, unsigned int fdim, integrand_v f, void* fdata, unsigned int nR, region* R) { /* Gauss quadrature weights and kronrod quadrature abscissae and weights as evaluated with 80 decimal digit arithmetic by L. W. Fullerton, Bell Labs, Nov. 1981. */ const unsigned int n = 8; const double xgk[8] = { /* abscissae of the 15-point kronrod rule */ 0.991455371120812639206854697526329, 0.949107912342758524526189684047851, 0.864864423359769072789712788640926, 0.741531185599394439863864773280788, 0.586087235467691130294144838258730, 0.405845151377397166906606412076961, 0.207784955007898467600689403773245, 0.000000000000000000000000000000000 /* xgk[1], xgk[3], ... abscissae of the 7-point gauss rule. xgk[0], xgk[2], ... to optimally extend the 7-point gauss rule */ }; static const double wg[4] = { /* weights of the 7-point gauss rule */ 0.129484966168869693270611432679082, 0.279705391489276667901467771423780, 0.381830050505118944950369775488975, 0.417959183673469387755102040816327 }; static const double wgk[8] = { /* weights of the 15-point kronrod rule */ 0.022935322010529224963732008058970, 0.063092092629978553290700663189204, 0.104790010322250183839876322541518, 0.140653259715525918745189590510238, 0.169004726639267902826583426598550, 0.190350578064785409913256402421014, 0.204432940075298892414161999234649, 0.209482141084727828012999174891714 }; unsigned int j, k, iR, npts = 0; double *pts, *vals; if (alloc_rule_pts(r, nR)) return FAILURE; pts = r->pts; vals = r->vals; for (iR = 0; iR < nR; ++iR) { const double center = R[iR].h.data[0]; const double halfwidth = R[iR].h.data[1]; pts[npts++] = center; for (j = 0; j < (n - 1) / 2; ++j) { int j2 = 2 * j + 1; double w = halfwidth * xgk[j2]; pts[npts++] = center - w; pts[npts++] = center + w; } for (j = 0; j < n / 2; ++j) { int j2 = 2 * j; double w = halfwidth * xgk[j2]; pts[npts++] = center - w; pts[npts++] = center + w; } R[iR].splitDim = 0; /* no choice but to divide 0th dimension */ } f(1, npts, pts, fdata, fdim, vals); for (k = 0; k < fdim; ++k) { for (iR = 0; iR < nR; ++iR) { const double halfwidth = R[iR].h.data[1]; double result_gauss = vals[0] * wg[n / 2 - 1]; double result_kronrod = vals[0] * wgk[n - 1]; double result_abs = fabs(result_kronrod); double result_asc, mean, err; /* accumulate integrals */ npts = 1; for (j = 0; j < (n - 1) / 2; ++j) { int j2 = 2 * j + 1; double v = vals[npts] + vals[npts + 1]; result_gauss += wg[j] * v; result_kronrod += wgk[j2] * v; result_abs += wgk[j2] * (fabs(vals[npts]) + fabs(vals[npts + 1])); npts += 2; } for (j = 0; j < n / 2; ++j) { int j2 = 2 * j; result_kronrod += wgk[j2] * (vals[npts] + vals[npts + 1]); result_abs += wgk[j2] * (fabs(vals[npts]) + fabs(vals[npts + 1])); npts += 2; } /* integration result */ R[iR].ee[k].val = result_kronrod * halfwidth; /* error estimate (from GSL, probably dates back to QUADPACK ... not completely clear to me why we don't just use fabs(result_kronrod - result_gauss) * halfwidth */ mean = result_kronrod * 0.5; result_asc = wgk[n - 1] * fabs(vals[0] - mean); npts = 1; for (j = 0; j < (n - 1) / 2; ++j) { int j2 = 2 * j + 1; result_asc += wgk[j2] * (fabs(vals[npts] - mean) + fabs(vals[npts + 1] - mean)); npts += 2; } for (j = 0; j < n / 2; ++j) { int j2 = 2 * j; result_asc += wgk[j2] * (fabs(vals[npts] - mean) + fabs(vals[npts + 1] - mean)); npts += 2; } err = fabs(result_kronrod - result_gauss) * halfwidth; result_abs *= halfwidth; result_asc *= halfwidth; if (result_asc != 0 && err != 0) { double scale = pow((200 * err / result_asc), 1.5); err = (scale < 1) ? result_asc * scale : result_asc; } if (result_abs > DBL_MIN / (50 * DBL_EPSILON)) { double min_err = 50 * DBL_EPSILON * result_abs; if (min_err > err) err = min_err; } R[iR].ee[k].err = err; /* increment vals to point to next batch of results */ vals += 15; } } return SUCCESS; } static rule* make_rule15gauss(unsigned int dim, unsigned int fdim) { if (dim != 1) return nullptr; /* this rule is only for 1d integrals */ return make_rule(sizeof(rule), dim, fdim, 15, rule15gauss_evalError, nullptr); } /***************************************************************************/ /* binary heap implementation (ala _Introduction to Algorithms_ by Cormen, Leiserson, and Rivest), for use as a priority queue of regions to integrate. */ using heap_item = region; #define KEY(hi) ((hi).errmax) using heap = struct { unsigned int n, nalloc; heap_item* items; unsigned int fdim; esterr* ee; /* array of length fdim of the total integrand & error */ }; static void heap_resize(heap* h, unsigned int nalloc) { h->nalloc = nalloc; h->items = (heap_item*)realloc(h->items, sizeof(heap_item) * nalloc); } static heap heap_alloc(unsigned int nalloc, unsigned int fdim) { heap h; unsigned int i; h.n = 0; h.nalloc = 0; h.items = nullptr; h.fdim = fdim; h.ee = (esterr*)malloc(sizeof(esterr) * fdim); if (h.ee) { for (i = 0; i < fdim; ++i) h.ee[i].val = h.ee[i].err = 0; heap_resize(&h, nalloc); } return h; } /* note that heap_free does not deallocate anything referenced by the items */ static void heap_free(heap* h) { h->n = 0; heap_resize(h, 0); h->fdim = 0; free(h->ee); } static int heap_push(heap* h, heap_item hi) { int insert; unsigned int i, fdim = h->fdim; for (i = 0; i < fdim; ++i) { h->ee[i].val += hi.ee[i].val; h->ee[i].err += hi.ee[i].err; } insert = h->n; if (++(h->n) > h->nalloc) { heap_resize(h, h->n * 2); if (!h->items) return FAILURE; } while (insert) { int parent = (insert - 1) / 2; if (KEY(hi) <= KEY(h->items[parent])) break; h->items[insert] = h->items[parent]; insert = parent; } h->items[insert] = hi; return SUCCESS; } static int heap_push_many(heap* h, unsigned int ni, heap_item* hi) { unsigned int i; for (i = 0; i < ni; ++i) if (heap_push(h, hi[i])) return FAILURE; return SUCCESS; } static heap_item heap_pop(heap* h) { heap_item ret; int i, n, child; if (!(h->n)) { fprintf(stderr, "attempted to pop an empty heap\n"); return ret; // error } ret = h->items[0]; h->items[i = 0] = h->items[n = --(h->n)]; while ((child = i * 2 + 1) < n) { int largest; heap_item swap; if (KEY(h->items[child]) <= KEY(h->items[i])) largest = i; else largest = child; if (++child < n && KEY(h->items[largest]) < KEY(h->items[child])) largest = child; if (largest == i) break; swap = h->items[i]; h->items[i] = h->items[largest]; h->items[i = largest] = swap; } { unsigned int i_, fdim = h->fdim; for (i_ = 0; i_ < fdim; ++i_) { h->ee[i_].val -= ret.ee[i_].val; h->ee[i_].err -= ret.ee[i_].err; } } return ret; } /***************************************************************************/ /* adaptive integration, analogous to adaptintegrator.cpp in HIntLib */ static int ruleadapt_integrate(rule* r, unsigned int fdim, integrand_v f, void* fdata, const hypercube* h, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err, int parallel) { unsigned int numEval = 0; heap regions; unsigned int i, j; region* R = nullptr; /* array of regions to evaluate */ unsigned int nR_alloc = 0; esterr* ee = nullptr; regions = heap_alloc(1, fdim); if (!regions.ee || !regions.items) goto bad; ee = (esterr*)malloc(sizeof(esterr) * fdim); if (!ee) goto bad; nR_alloc = 2; R = (region*)malloc(sizeof(region) * nR_alloc); if (!R) goto bad; R[0] = make_region(h, fdim); if (!R[0].ee || eval_regions(1, R, f, fdata, r) || heap_push(®ions, R[0])) goto bad; numEval += r->num_points; while (numEval < maxEval || !maxEval) { for (j = 0; j < fdim && (regions.ee[j].err <= reqAbsError || relError(regions.ee[j]) <= reqRelError); ++j) ; if (j == fdim) break; /* convergence */ if (parallel) { /* maximize potential parallelism */ /* adapted from I. Gladwell, "Vectorization of one dimensional quadrature codes," pp. 230--238 in _Numerical Integration. Recent Developments, Software and Applications_, G. Fairweather and P. M. Keast, eds., NATO ASI Series C203, Dordrecht (1987), as described in J. M. Bull and T. L. Freeman, "Parallel Globally Adaptive Algorithms for Multi-dimensional Integration," http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.42.6638 (1994). Basically, this evaluates in one shot all regions that *must* be evaluated in order to reduce the error to the requested bound: the minimum set of largest-error regions whose errors push the total error over the bound. [Note: Bull and Freeman claim that the Gladwell approach is intrinsically inefficient because it "requires sorting", and propose an alternative algorithm that "only" requires three passes over the entire set of regions. Apparently, they didn't realize that one could use a heap data structure, in which case the time to pop K biggest-error regions out of N is only O(K log N), much better than the O(N) cost of the Bull and Freeman algorithm if K << N, and it is also much simpler.] */ unsigned int nR = 0; for (j = 0; j < fdim; ++j) ee[j] = regions.ee[j]; do { if (nR + 2 > nR_alloc) { nR_alloc = (nR + 2) * 2; R = (region*)realloc(R, nR_alloc * sizeof(region)); if (!R) goto bad; } R[nR] = heap_pop(®ions); for (j = 0; j < fdim; ++j) ee[j].err -= R[nR].ee[j].err; if (cut_region(R + nR, R + nR + 1)) goto bad; numEval += r->num_points * 2; nR += 2; for (j = 0; j < fdim && (ee[j].err <= reqAbsError || relError(ee[j]) <= reqRelError); ++j) ; if (j == fdim) break; /* other regions have small errs */ } while (regions.n > 0 && (numEval < maxEval || !maxEval)); if (eval_regions(nR, R, f, fdata, r) || heap_push_many(®ions, nR, R)) goto bad; } else { /* minimize number of function evaluations */ R[0] = heap_pop(®ions); /* get worst region */ if (cut_region(R, R + 1) || eval_regions(2, R, f, fdata, r) || heap_push_many(®ions, 2, R)) goto bad; numEval += r->num_points * 2; } } /* re-sum integral and errors */ for (j = 0; j < fdim; ++j) val[j] = err[j] = 0; for (i = 0; i < regions.n; ++i) { for (j = 0; j < fdim; ++j) { val[j] += regions.items[i].ee[j].val; err[j] += regions.items[i].ee[j].err; } destroy_region(®ions.items[i]); } /* printf("regions.nalloc = %d\n", regions.nalloc); */ free(ee); heap_free(®ions); free(R); return SUCCESS; bad: free(ee); heap_free(®ions); free(R); return FAILURE; } static int integrate(unsigned int fdim, integrand_v f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err, int parallel) { rule* r; hypercube h; int status; unsigned int i; if (fdim == 0) /* nothing to do */ return SUCCESS; if (dim == 0) { /* trivial integration */ f(0, 1, xmin, fdata, fdim, val); for (i = 0; i < fdim; ++i) err[i] = 0; return SUCCESS; } r = dim == 1 ? make_rule15gauss(dim, fdim) : make_rule75genzmalik(dim, fdim); if (!r) { for (i = 0; i < fdim; ++i) { val[i] = 0; err[i] = HUGE_VAL; } return FAILURE; } h = make_hypercube_range(dim, xmin, xmax); status = !h.data ? FAILURE : ruleadapt_integrate(r, fdim, f, fdata, &h, maxEval, reqAbsError, reqRelError, val, err, parallel); destroy_hypercube(&h); destroy_rule(r); return status; } int adapt_integrate_v(unsigned int fdim, integrand_v f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err) { return integrate(fdim, f, fdata, dim, xmin, xmax, maxEval, reqAbsError, reqRelError, val, err, 1); } /* wrapper around non-vectorized integrand */ using fv_data = struct fv_data_s { integrand f; void* fdata; double* fval1; }; static void fv(unsigned int ndim, unsigned int npt, const double* x, void* d_, unsigned int fdim, double* fval) { auto* d = (fv_data*)d_; double* fval1 = d->fval1; unsigned int i, k; /* printf("npt = %u\n", npt); */ for (i = 0; i < npt; ++i) { d->f(ndim, x + i * ndim, d->fdata, fdim, fval1); for (k = 0; k < fdim; ++k) fval[k * npt + i] = fval1[k]; } } int adapt_integrate(unsigned int fdim, integrand f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err) { int ret; fv_data d; if (fdim == 0) return SUCCESS; /* nothing to do */ d.f = f; d.fdata = fdata; d.fval1 = (double*)malloc(sizeof(double) * fdim); if (!d.fval1) { unsigned int i; for (i = 0; i < fdim; ++i) { val[i] = 0; err[i] = HUGE_VAL; } return -2; /* ERROR */ } ret = integrate(fdim, fv, &d, dim, xmin, xmax, maxEval, reqAbsError, reqRelError, val, err, 0); free(d.fval1); return ret; } // TODO: Consider QVariantList. For now, mimic what is known to work. QList QTAIMEvaluateProperty(QList variantList) { /* Order of variantList: QString wfnFileName qreal x0 qreal y0 qreal z0 qint64 nncp qint64 xncp1 qint64 yncp1 qint64 zncp1 qint64 xncp2 qint64 yncp2 qint64 zncp2 ... qint64 nmode qint64 mode1 qint64 mode2 ... qint64 nbasin qint64 basin1 qint64 basin2 ... */ qint64 counter = 0; QString wfnFileName = variantList.at(counter).toString(); counter++; qreal x0 = variantList.at(counter).toDouble(); counter++; qreal y0 = variantList.at(counter).toDouble(); counter++; qreal z0 = variantList.at(counter).toDouble(); counter++; qint64 nncp = variantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 n = 0; n < nncp; ++n) { qreal x = variantList.at(counter).toDouble(); counter++; qreal y = variantList.at(counter).toDouble(); counter++; qreal z = variantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = variantList.at(counter).toLongLong(); counter++; QList modeList; for (qint64 m = 0; m < nmode; ++m) { qint64 mode = variantList.at(counter).toLongLong(); counter++; modeList.append(mode); } qint64 nbasin = variantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 b = 0; b < nbasin; ++b) { qint64 basin = variantList.at(counter).toLongLong(); counter++; basinList.append(basin); } QSet basinSet(basinList.begin(), basinList.end()); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); QList valueList; double initialElectronDensity = eval.electronDensity(Eigen::Vector3d(x0, y0, z0)); // if less than some small value, then return zero for all integrands. if (initialElectronDensity < 1.e-5) { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } else { QList> betaSpheres; for (qint64 i = 0; i < nncp; ++i) { QPair thisBetaSphere; thisBetaSphere.first = QVector3D(ncpList.at(i).x(), ncpList.at(i).y(), ncpList.at(i).z()); thisBetaSphere.second = 0.10; betaSpheres.append(thisBetaSphere); } QTAIMLSODAIntegrator ode(eval, 0); // Avogadro::QTAIMODEIntegrator ode(eval,0); ode.setBetaSpheres(betaSpheres); QVector3D endpoint = ode.integrate(QVector3D(x0, y0, z0)); // QList path=ode.path(); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (basinSet.contains(nucleusIndex)) { // if(nucleusIndex==0) // { // QFile file("/scratch/brown/0.txt"); // file.open(QIODevice::WriteOnly | QIODevice::Append); // QTextStream out(&file); // out << x0 << " " << y0 << " " << z0 << "\n"; // file.close(); // } for (qint64 m = 0; m < nmode; ++m) { if (modeList.at(m) == 0) { valueList.append(eval.electronDensity(Eigen::Vector3d(x0, y0, z0))); } else { qDebug() << "mode not defined"; qreal zero = 0.0; valueList.append(zero); } } } else { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } } return valueList; } void property_v(unsigned int /* ndim */, unsigned int npts, const double* xyz, void* param, unsigned int /* dim */, double* fval) { auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } // prepare input QList> inputList; for (unsigned int i = 0; i < npts; ++i) { double x0 = xyz[i * 3 + 0]; double y0 = xyz[i * 3 + 1]; double z0 = xyz[i * 3 + 2]; QList variantList; variantList.append(wfnFileName); variantList.append(x0); variantList.append(y0); variantList.append(z0); variantList.append(nncp); for (qint64 n = 0; n < nncp; ++n) { variantList.append(ncpList.at(n).x()); variantList.append(ncpList.at(n).y()); variantList.append(ncpList.at(n).z()); } variantList.append(nmode); // for now, one mode for (qint64 m = 0; m < nmode; ++m) { variantList.append(mode); } qint64 nbasin = basinList.length(); variantList.append(nbasin); for (long long b : basinList) { variantList.append(b); } inputList.append(variantList); } // calculate QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Atomic Basin Integration")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMEvaluateProperty); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } // harvest results for (qint64 i = 0; i < npts; ++i) { for (qint64 m = 0; m < nmode; ++m) { fval[m * nmode + i] = results.at(i).at(m).toDouble(); } } } // TODO: Consider QVariantList. For now, mimic what is known to work. // This version performs integration in Spherical Polar Coordinates. // Note that the basin limits are not explicitly determined. QList QTAIMEvaluatePropertyRTP(QList variantList) { /* Order of variantList: QString wfnFileName qreal r0 qreal t0 qreal p0 qint64 nncp qint64 xncp1 qint64 yncp1 qint64 zncp1 qint64 xncp2 qint64 yncp2 qint64 zncp2 ... qint64 nmode qint64 mode1 qint64 mode2 ... qint64 nbasin qint64 basin1 qint64 basin2 ... */ qint64 counter = 0; QString wfnFileName = variantList.at(counter).toString(); counter++; qreal r0 = variantList.at(counter).toDouble(); counter++; qreal t0 = variantList.at(counter).toDouble(); counter++; qreal p0 = variantList.at(counter).toDouble(); counter++; qint64 nncp = variantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 n = 0; n < nncp; ++n) { qreal x = variantList.at(counter).toDouble(); counter++; qreal y = variantList.at(counter).toDouble(); counter++; qreal z = variantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = variantList.at(counter).toLongLong(); counter++; QList modeList; for (qint64 m = 0; m < nmode; ++m) { qint64 mode = variantList.at(counter).toLongLong(); counter++; modeList.append(mode); } qint64 nbasin = variantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 b = 0; b < nbasin; ++b) { qint64 basin = variantList.at(counter).toLongLong(); counter++; basinList.append(basin); } QSet basinSet(basinList.begin(), basinList.end()); Matrix r0t0p0; r0t0p0 << r0, t0, p0; Matrix origin; origin << ncpList.at(basinList.at(0)).x(), ncpList.at(basinList.at(0)).y(), ncpList.at(basinList.at(0)).z(); Matrix x0y0z0 = QTAIMMathUtilities::sphericalToCartesian(r0t0p0, origin); qreal x0 = x0y0z0(0); qreal y0 = x0y0z0(1); qreal z0 = x0y0z0(2); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); QList valueList; double initialElectronDensity = eval.electronDensity(Eigen::Vector3d(x0, y0, z0)); // if less than some small value, then return zero for all integrands. if (initialElectronDensity < 1.e-5) { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } else { QList> betaSpheres; for (qint64 i = 0; i < nncp; ++i) { QPair thisBetaSphere; thisBetaSphere.first = QVector3D(ncpList.at(i).x(), ncpList.at(i).y(), ncpList.at(i).z()); thisBetaSphere.second = 0.10; betaSpheres.append(thisBetaSphere); } QTAIMLSODAIntegrator ode(eval, 0); // Avogadro::QTAIMODEIntegrator ode(eval,0); ode.setBetaSpheres(betaSpheres); QVector3D endpoint = ode.integrate(QVector3D(x0, y0, z0)); // QList path=ode.path(); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (basinSet.contains(nucleusIndex)) { // if(nucleusIndex==0) // { // QFile file("/scratch/brown/0.txt"); // file.open(QIODevice::WriteOnly | QIODevice::Append); // QTextStream out(&file); // out << x0 << " " << y0 << " " << z0 << "\n"; //// out << r0 << " " << t0 << " " << p0 << "\n"; // file.close(); // } for (qint64 m = 0; m < nmode; ++m) { if (modeList.at(m) == 0) { valueList.append( r0 * r0 * sin(t0) * eval.electronDensity(Eigen::Vector3d(x0, y0, z0)) ); } else { qDebug() << "mode not defined"; qreal zero = 0.0; valueList.append(zero); } } } else { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } } return valueList; } void property_v_rtp(unsigned int /* ndim */, unsigned int npts, const double* xyz, void* param, unsigned int /* fdim */, double* fval) { auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } // prepare input QList> inputList; for (unsigned int i = 0; i < npts; ++i) { double x0 = xyz[i * 3 + 0]; double y0 = xyz[i * 3 + 1]; double z0 = xyz[i * 3 + 2]; QList variantList; variantList.append(wfnFileName); variantList.append(x0); variantList.append(y0); variantList.append(z0); variantList.append(nncp); for (qint64 n = 0; n < nncp; ++n) { variantList.append(ncpList.at(n).x()); variantList.append(ncpList.at(n).y()); variantList.append(ncpList.at(n).z()); } variantList.append(nmode); // for now, one mode for (qint64 m = 0; m < nmode; ++m) { variantList.append(mode); } qint64 nbasin = basinList.length(); variantList.append(nbasin); for (long long b : basinList) { variantList.append(b); } inputList.append(variantList); } // calculate QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Atomic Basin Integration")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMEvaluatePropertyRTP); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } // harvest results for (qint64 i = 0; i < npts; ++i) { for (qint64 m = 0; m < nmode; ++m) { fval[m * nmode + i] = results.at(i).at(m).toDouble(); } } } void property_r(unsigned int ndim, const double* xyz, void* param, unsigned int fdim, double* fval) { ndim = ndim; fdim = fdim; auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qreal r = xyz[0]; qreal t = paramVariantList.at(counter).toDouble(); counter++; qreal p = paramVariantList.at(counter).toDouble(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } Matrix rtp; rtp << r, t, p; Matrix origin; origin << ncpList.at(basinList.at(0)).x(), ncpList.at(basinList.at(0)).y(), ncpList.at(basinList.at(0)).z(); Matrix XYZ = QTAIMMathUtilities::sphericalToCartesian(rtp, origin); qreal x = XYZ(0); qreal y = XYZ(1); qreal z = XYZ(2); // This routine reads the wavefunction file repeatedly. // Let's hope that this time is dwarfed by the time // taken to delineate the atomic basins in the calling routine. QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); for (qint64 m = 0; m < nmode; ++m) { if (mode == 0) { fval[m] = r * r * eval.electronDensity(Eigen::Vector3d(x, y, z)); } } } QList QTAIMEvaluatePropertyTP(QList variantList) { /* Order of variantList: QString wfnFileName qreal t qreal p qint64 nncp qint64 xncp1 qint64 yncp1 qint64 zncp1 qint64 xncp2 qint64 yncp2 qint64 zncp2 ... qint64 nmode qint64 mode1 qint64 mode2 ... qint64 nbasin qint64 basin1 qint64 basin2 ... */ qint64 counter = 0; QString wfnFileName = variantList.at(counter).toString(); counter++; qreal t = variantList.at(counter).toDouble(); counter++; qreal p = variantList.at(counter).toDouble(); counter++; qint64 nncp = variantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 n = 0; n < nncp; ++n) { qreal x = variantList.at(counter).toDouble(); counter++; qreal y = variantList.at(counter).toDouble(); counter++; qreal z = variantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = variantList.at(counter).toLongLong(); counter++; QList modeList; for (qint64 m = 0; m < nmode; ++m) { qint64 mode = variantList.at(counter).toLongLong(); counter++; modeList.append(mode); } qint64 nbasin = variantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 b = 0; b < nbasin; ++b) { qint64 basin = variantList.at(counter).toLongLong(); counter++; basinList.append(basin); } QSet basinSet(basinList.begin(), basinList.end()); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); // Set up steepest ascent integrator and beta spheres QList> betaSpheres; for (qint64 i = 0; i < nncp; ++i) { QPair thisBetaSphere; thisBetaSphere.first = QVector3D(ncpList.at(i).x(), ncpList.at(i).y(), ncpList.at(i).z()); thisBetaSphere.second = 0.10; betaSpheres.append(thisBetaSphere); } QTAIMLSODAIntegrator ode(eval, 0); // Avogadro::QTAIMODEIntegrator ode(eval,0); ode.setBetaSpheres(betaSpheres); // Determine radial basin limit via bisection // Bisection Algorithm courtesy of Wikipedia qint64 thisBasin = basinList.at(0); Matrix origin; origin << ncpList.at(thisBasin).x(), ncpList.at(thisBasin).y(), ncpList.at(thisBasin).z(); const qreal rmin = betaSpheres.at(thisBasin).second; const qreal rmax = 8.0; const qreal epsilon = 1.e-3; qreal left = rmin; qreal right = rmax; Matrix rtpl; rtpl << left, t, p; Matrix xyzl = QTAIMMathUtilities::sphericalToCartesian(rtpl, origin); qreal fleft; qreal x = xyzl(0); qreal y = xyzl(1); qreal z = xyzl(2); qreal leftElectronDensity = eval.electronDensity(Eigen::Vector3d(x, y, z)); if (leftElectronDensity < 1.e-5) { fleft = -1.0; } else { QVector3D endpoint = ode.integrate(QVector3D(x, y, z)); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (thisBasin == nucleusIndex) { fleft = leftElectronDensity; } else { fleft = -1.0; } } Matrix rtpr; rtpr << right, t, p; Matrix xyzr = QTAIMMathUtilities::sphericalToCartesian(rtpr, origin); qreal fright; x = xyzr(0); y = xyzr(1); z = xyzr(2); qreal rightElectronDensity = eval.electronDensity(Eigen::Vector3d(x, y, z)); if (rightElectronDensity < 1.e-5) { fright = -1.0; } else { QVector3D endpoint = ode.integrate(QVector3D(x, y, z)); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (thisBasin == nucleusIndex) { fright = rightElectronDensity; } else { fright = -1.0; } } if (fleft > 0.0 && fright > 0.0) { qDebug() << "error in bisection: both values positive."; } qreal rf(0.0); while (fabs(right - left) > 2.0 * epsilon) { qreal midpoint = (right + left) / 2.0; rf = midpoint; // qDebug() << left << midpoint << right ; Matrix rtpm; rtpm << midpoint, t, p; Matrix xyzm = QTAIMMathUtilities::sphericalToCartesian(rtpm, origin); qreal fmidpoint; x = xyzm(0); y = xyzm(1); z = xyzm(2); qreal midpointElectronDensity = eval.electronDensity(Eigen::Vector3d(x, y, z)); if (midpointElectronDensity < 1.e-5) { fmidpoint = -1.0; } else { QVector3D endpoint = ode.integrate(QVector3D(x, y, z)); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (thisBasin == nucleusIndex) { fmidpoint = midpointElectronDensity; } else { fmidpoint = -1.0; } } if ((fleft * fmidpoint) < 0) { right = midpoint; fright = fmidpoint; } else if ((fright * fmidpoint) < 0) { left = midpoint; fleft = fmidpoint; } else { goto endOfBisection; } } endOfBisection: // Integration over r unsigned int fdim = 1; double* val; double* err; val = (double*)malloc(sizeof(double) * fdim); err = (double*)malloc(sizeof(double) * fdim); double tol = 1.e-6; unsigned int maxEval = 0; unsigned int dim = 1; double* xmin; double* xmax; xmin = (double*)malloc(dim * sizeof(double)); xmax = (double*)malloc(dim * sizeof(double)); xmin[0] = 0.0; xmax[0] = rf; QVariantList paramVariantList; paramVariantList.append(wfnFileName); paramVariantList.append(t); paramVariantList.append(p); paramVariantList.append( ncpList.length()); // number of nuclear critical points for (auto j : ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basinList.at(0)); // basin // qDebug() << "Into R with rf=" << rf; adapt_integrate(fdim, property_r, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); // qDebug() << "Out of R with val=" << val[0] << "err=" << err[0]; qreal Rval = val[0]; free(xmin); free(xmax); free(val); free(err); // QList variantList; variantList.append(sin(t) * Rval); // qDebug() << rf << t << p << sin(t) * Rval; return variantList; } void property_v_tp(unsigned int /* ndim */, unsigned int npts, const double* xyz, void* param, unsigned int /* fdim */, double* fval) { auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } // prepare input QList> inputList; for (unsigned int i = 0; i < npts; ++i) { double t = xyz[i * 2 + 0]; double p = xyz[i * 2 + 1]; QList variantList; variantList.append(wfnFileName); variantList.append(t); variantList.append(p); variantList.append(nncp); for (qint64 n = 0; n < nncp; ++n) { variantList.append(ncpList.at(n).x()); variantList.append(ncpList.at(n).y()); variantList.append(ncpList.at(n).z()); } variantList.append(nmode); // for now, one mode for (qint64 m = 0; m < nmode; ++m) { variantList.append(mode); } qint64 nbasin = basinList.length(); variantList.append(nbasin); for (long long b : basinList) { variantList.append(b); } inputList.append(variantList); } // calculate QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Atomic Basin Integration")); QFutureWatcher> futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMEvaluatePropertyTP); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } // harvest results // qDebug() << "results=" << results; for (qint64 i = 0; i < npts; ++i) { for (qint64 m = 0; m < nmode; ++m) { fval[m * nmode + i] = results.at(i).at(m).toDouble(); } } } namespace Avogadro::QtPlugins { QTAIMCubature::QTAIMCubature(QTAIMWavefunction& wfn) { m_wfn = &wfn; m_temporaryFileName = QTAIMCubature::temporaryFileName(); m_wfn->saveToBinaryFile(m_temporaryFileName); // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results m_ncpList = cpl.nuclearCriticalPoints(); } QList> QTAIMCubature::integrate(qint64 mode, QList basins) { QList> value; m_mode = mode; m_basins = basins; double tol = 1.e-2; unsigned int maxEval = 0; bool threeDimensionalIntegration = false; bool cartesianIntegrationLimits = false; unsigned int fdim = 1; double* val; double* err; val = (double*)malloc(sizeof(double) * fdim); err = (double*)malloc(sizeof(double) * fdim); for (qint64 i = 0; i < m_basins.length(); ++i) { if (threeDimensionalIntegration) { unsigned int dim = 3; double* xmin; double* xmax; xmin = (double*)malloc(dim * sizeof(double)); xmax = (double*)malloc(dim * sizeof(double)); if (cartesianIntegrationLimits) { // shift origin of the integration to the nuclear coordinates of the ith // nucleus. xmin[0] = -8. + m_ncpList.at(i).x(); xmax[0] = 8. + m_ncpList.at(i).x(); xmin[1] = -8. + m_ncpList.at(i).y(); xmax[1] = 8. + m_ncpList.at(i).y(); xmin[2] = -8. + m_ncpList.at(i).z(); xmax[2] = 8. + m_ncpList.at(i).z(); QVariantList paramVariantList; paramVariantList.append(m_temporaryFileName); paramVariantList.append( m_ncpList.length()); // number of nuclear critical points for (auto j : m_ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basins.at(i)); // basin adapt_integrate_v(fdim, property_v, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); } else { const qreal pi = 4.0 * atan(1.0); xmin[0] = 0.; xmax[0] = 8.; xmin[1] = 0.; xmax[1] = pi; xmin[2] = 0.; xmax[2] = 2.0 * pi; QVariantList paramVariantList; paramVariantList.append(m_temporaryFileName); paramVariantList.append( m_ncpList.length()); // number of nuclear critical points for (auto j : m_ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basins.at(i)); // basin adapt_integrate_v(fdim, property_v_rtp, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); } free(xmin); free(xmax); } else { unsigned int dim = 2; double* xmin; double* xmax; xmin = (double*)malloc(dim * sizeof(double)); xmax = (double*)malloc(dim * sizeof(double)); const qreal pi = 4.0 * atan(1.0); xmin[0] = 0.; xmax[0] = pi; xmin[1] = 0.; xmax[1] = 2.0 * pi; QVariantList paramVariantList; paramVariantList.append(m_temporaryFileName); paramVariantList.append( m_ncpList.length()); // number of nuclear critical points for (auto j : m_ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basins.at(i)); // basin adapt_integrate_v(fdim, property_v_tp, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); free(xmin); free(xmax); } qDebug() << "basin=" << basins.at(i) + 1 << "value= " << val[0] << "err=" << err[0]; QPair thisPair; thisPair.first = val[0]; thisPair.second = err[0]; value.append(thisPair); } free(val); free(err); return value; } QTAIMCubature::~QTAIMCubature() { if (QFile::exists(m_temporaryFileName)) { QFile::remove(m_temporaryFileName); } } void QTAIMCubature::setMode(qint64 mode) { m_mode = mode; } QString QTAIMCubature::temporaryFileName() { QTemporaryFile temporaryFile; temporaryFile.open(); QString tempFileName = temporaryFile.fileName(); temporaryFile.close(); temporaryFile.remove(); // wait for temporary file to be deleted QDir dir; do { // Nothing } while (dir.exists(tempFileName)); return tempFileName; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimcubature.h000066400000000000000000000114521516317240700274570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the GPL v3 or later (the "License"). You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* Based on */ /* Adaptive multidimensional integration of a vector of integrands. * * Copyright (c) 2005-2009 Steven G. Johnson * * Portions (see comments) based on HIntLib (also distributed under * the GNU GPL, v2 or later), copyright (c) 2002-2005 Rudolf Schuerer. * (http://www.cosy.sbg.ac.at/~rschuer/hintlib/) * * Portions (see comments) based on GNU GSL (also distributed under * the GNU GPL, v2 or later), copyright (c) 1996-2000 Brian Gough. * (http://www.gnu.org/software/gsl/) * * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation; either version 2 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA * */ #ifndef QTAIMCUBATURE_H #define QTAIMCUBATURE_H #include // #ifdef __cplusplus // extern "C" //{ // #endif /* __cplusplus */ /* USAGE: Call adapt_integrate with your function as described below. To compile a test program, compile cubature.c with -DTEST_INTEGRATOR as described at the end. */ /* a vector integrand - evaluates the function at the given point x (an array of length ndim) and returns the result in fval (an array of length fdim). The void* parameter is there in case you have to pass any additional data through to your function (it corresponds to the fdata parameter you pass to adapt_integrate). */ using integrand = void (*)(unsigned int, const double*, void*, unsigned int, double*); /* a vector integrand of a vector of npt points: x[i*ndim + j] is the j-th coordinate of the i-th point, and the k-th function evaluation for the i-th point is returned in fval[k*npt + i]. */ using integrand_v = void (*)(unsigned int, unsigned int, const double*, void*, unsigned int, double*); /* Integrate the function f from xmin[dim] to xmax[dim], with at most maxEval function evaluations (0 for no limit), until the given absolute or relative error is achieved. val returns the integral, and err returns the estimate for the absolute error in val; both of these are arrays of length fdim, the dimension of the vector integrand f(x). The return value of the function is 0 on success and non-zero if there was an error. */ int adapt_integrate(unsigned int fdim, integrand f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err); /* as adapt_integrate, but vectorized integrand */ int adapt_integrate_v(unsigned int fdim, integrand_v f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err); // #ifdef __cplusplus // } /* extern "C" */ // #endif /* __cplusplus */ #include "qtaimwavefunction.h" namespace Avogadro::QtPlugins { class QTAIMCubature { public: enum { ElectronDensity = 0, ElectronDensityLaplacian = 1 }; explicit QTAIMCubature(QTAIMWavefunction& wfn); ~QTAIMCubature(); QList> integrate(qint64 mode, QList basins); void setMode(qint64 mode); private: QTAIMWavefunction* m_wfn; qint64 m_mode; QList m_basins; QString m_temporaryFileName; QString temporaryFileName(); QList m_ncpList; }; } // namespace Avogadro::QtPlugins #endif /* QTAIMCUBATURE_H */ OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimengine.cpp000066400000000000000000000221021516317240700274370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtaimengine.h" #include #include #include #include #include #include #include using namespace Avogadro; using namespace Avogadro::Rendering; namespace Avogadro::QtPlugins { QTAIMEngine::QTAIMEngine(QObject* aParent) : QtGui::ScenePlugin(aParent), m_enabled(false) { m_layerManager = QtGui::PluginLayerManager(m_name); } void QTAIMEngine::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { // Create sphere/cylinder nodes. auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; geometry->addDrawable(spheres); auto* cylinders = new CylinderGeometry; geometry->addDrawable(cylinders); // Render the bond paths if (molecule.property("QTAIMFirstNCPIndexVariantList").isValid() && molecule.property("QTAIMSecondNCPIndexVariantList").isValid() && molecule.property("QTAIMLaplacianAtBondCriticalPoints").isValid() && molecule.property("QTAIMEllipticityAtBondCriticalPoints").isValid() && molecule.property("QTAIMBondPathSegmentStartIndex").isValid() && molecule.property("QTAIMBondPathSegmentEndIndex").isValid() && molecule.property("QTAIMXBondPaths").isValid() && molecule.property("QTAIMYBondPaths").isValid() && molecule.property("QTAIMZBondPaths").isValid()) { QVariant firstNCPIndexVariant = molecule.property("QTAIMFirstNCPIndexVariantList"); QVariant secondNCPIndexVariant = molecule.property("QTAIMSecondNCPIndexVariantList"); QVariant laplacianAtBondCriticalPointsVariant = molecule.property("QTAIMLaplacianAtBondCriticalPoints"); QVariant ellipticityAtBondCriticalPointsVariant = molecule.property("QTAIMEllipticityAtBondCriticalPoints"); QVariant bondPathSegmentStartIndexVariant = molecule.property("QTAIMBondPathSegmentStartIndex"); QVariant bondPathSegmentEndIndexVariant = molecule.property("QTAIMBondPathSegmentEndIndex"); QVariant xBondPathsVariant = molecule.property("QTAIMXBondPaths"); QVariant yBondPathsVariant = molecule.property("QTAIMYBondPaths"); QVariant zBondPathsVariant = molecule.property("QTAIMZBondPaths"); QVariantList firstNCPIndexVariantList = firstNCPIndexVariant.toList(); QVariantList secondNCPIndexVariantList = secondNCPIndexVariant.toList(); QVariantList laplacianAtBondCriticalPointsVariantList = laplacianAtBondCriticalPointsVariant.toList(); QVariantList ellipticityAtBondCriticalPointsVariantList = ellipticityAtBondCriticalPointsVariant.toList(); QVariantList bondPathSegmentStartIndexVariantList = bondPathSegmentStartIndexVariant.toList(); QVariantList bondPathSegmentEndIndexVariantList = bondPathSegmentEndIndexVariant.toList(); QVariantList xBondPathsVariantList = xBondPathsVariant.toList(); QVariantList yBondPathsVariantList = yBondPathsVariant.toList(); QVariantList zBondPathsVariantList = zBondPathsVariant.toList(); for (qint64 i = 0; i < firstNCPIndexVariantList.length(); ++i) { qint64 start = bondPathSegmentStartIndexVariantList.at(i).toLongLong(); qint64 end = bondPathSegmentEndIndexVariantList.at(i).toLongLong(); if (laplacianAtBondCriticalPointsVariantList.at(i).toReal() > 0.0) { const qint64 step = 4; Vector3f xyz; Vector3ub color(255, 255, 255); for (qint64 j = start; j < end - 1; j = j + step) { xyz << xBondPathsVariantList.at(j).toFloat(), yBondPathsVariantList.at(j).toFloat(), zBondPathsVariantList.at(j).toFloat(); spheres->addSphere(xyz, color, 0.025f); } } else { const qint64 step = 1; Vector3ub color(255, 255, 255); double radius = 0.025; Vector3f v1; Vector3f v2; Vector3f direction; for (qint64 j = start; j < end - 1; j = j + step) { v1 << xBondPathsVariantList.at(j).toFloat(), yBondPathsVariantList.at(j).toFloat(), zBondPathsVariantList.at(j).toFloat(); v2 << xBondPathsVariantList.at(j + 1).toFloat(), yBondPathsVariantList.at(j + 1).toFloat(), zBondPathsVariantList.at(j + 1).toFloat(); direction = v2 - v1; float length = direction.norm(); direction /= length; cylinders->addCylinder(v1, v2, radius, color); } } } // bond path } if (molecule.property("QTAIMXNuclearCriticalPoints").isValid() && molecule.property("QTAIMYNuclearCriticalPoints").isValid() && molecule.property("QTAIMZNuclearCriticalPoints").isValid()) { QVariant xNuclearCriticalPointsVariant = molecule.property("QTAIMXNuclearCriticalPoints"); QVariant yNuclearCriticalPointsVariant = molecule.property("QTAIMYNuclearCriticalPoints"); QVariant zNuclearCriticalPointsVariant = molecule.property("QTAIMZNuclearCriticalPoints"); QVariantList xNuclearCriticalPointsVariantList = xNuclearCriticalPointsVariant.toList(); QVariantList yNuclearCriticalPointsVariantList = yNuclearCriticalPointsVariant.toList(); QVariantList zNuclearCriticalPointsVariantList = zNuclearCriticalPointsVariant.toList(); if (xNuclearCriticalPointsVariantList.length() == yNuclearCriticalPointsVariantList.length() && xNuclearCriticalPointsVariantList.length() == zNuclearCriticalPointsVariantList.length()) { Vector3f xyz; Vector3ub color(255, 64, 255); for (qint64 i = 0; i < xNuclearCriticalPointsVariantList.length(); ++i) { xyz << xNuclearCriticalPointsVariantList.at(i).toFloat(), yNuclearCriticalPointsVariantList.at(i).toFloat(), zNuclearCriticalPointsVariantList.at(i).toFloat(); // map->setFromPrimitive(ncp); spheres->addSphere(xyz, color, 0.1f); } } } if (molecule.property("QTAIMXBondCriticalPoints").isValid() && molecule.property("QTAIMYBondCriticalPoints").isValid() && molecule.property("QTAIMZBondCriticalPoints").isValid()) { QVariant xBondCriticalPointsVariant = molecule.property("QTAIMXBondCriticalPoints"); QVariant yBondCriticalPointsVariant = molecule.property("QTAIMYBondCriticalPoints"); QVariant zBondCriticalPointsVariant = molecule.property("QTAIMZBondCriticalPoints"); QVariantList xBondCriticalPointsVariantList = xBondCriticalPointsVariant.toList(); QVariantList yBondCriticalPointsVariantList = yBondCriticalPointsVariant.toList(); QVariantList zBondCriticalPointsVariantList = zBondCriticalPointsVariant.toList(); if (xBondCriticalPointsVariantList.length() == yBondCriticalPointsVariantList.length() && xBondCriticalPointsVariantList.length() == zBondCriticalPointsVariantList.length()) { Vector3ub color(255, 255, 32); Vector3f xyz; for (qint64 i = 0; i < xBondCriticalPointsVariantList.length(); ++i) { xyz << xBondCriticalPointsVariantList.at(i).toFloat(), yBondCriticalPointsVariantList.at(i).toFloat(), zBondCriticalPointsVariantList.at(i).toFloat(); // map->setFromPrimitive(ncp); spheres->addSphere(xyz, color, 0.1f); } } } if (molecule.property("QTAIMXElectronDensitySources").isValid() && molecule.property("QTAIMYElectronDensitySources").isValid() && molecule.property("QTAIMZElectronDensitySources").isValid()) { QVariant xElectronDensitySourcesVariant = molecule.property("QTAIMXElectronDensitySources"); QVariant yElectronDensitySourcesVariant = molecule.property("QTAIMYElectronDensitySources"); QVariant zElectronDensitySourcesVariant = molecule.property("QTAIMZElectronDensitySources"); QVariantList xElectronDensitySourcesVariantList = xElectronDensitySourcesVariant.toList(); QVariantList yElectronDensitySourcesVariantList = yElectronDensitySourcesVariant.toList(); QVariantList zElectronDensitySourcesVariantList = zElectronDensitySourcesVariant.toList(); if (xElectronDensitySourcesVariantList.length() == yElectronDensitySourcesVariantList.length() && xElectronDensitySourcesVariantList.length() == zElectronDensitySourcesVariantList.length()) { Vector3ub color(64, 64, 255); Vector3f xyz; for (qint64 i = 0; i < xElectronDensitySourcesVariantList.length(); ++i) { xyz << xElectronDensitySourcesVariantList.at(i).toFloat(), yElectronDensitySourcesVariantList.at(i).toFloat(), zElectronDensitySourcesVariantList.at(i).toFloat(); // map->setFromPrimitive(ncp); spheres->addSphere(xyz, color, 0.1f); } } } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimengine.h000066400000000000000000000017321516317240700271120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef QTAIMENGINE_H #define QTAIMENGINE_H #include #include namespace Avogadro::QtPlugins { class QTAIMEngine : public QtGui::ScenePlugin { Q_OBJECT public: explicit QTAIMEngine(QObject* parent = nullptr); ~QTAIMEngine() override = default; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("QTAIM"); } QString description() const override { return tr("Renders primitives using QTAIM properties"); } private: bool m_enabled; std::string m_name = "QTAIM"; }; } // end namespace Avogadro::QtPlugins #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimextension.cpp000066400000000000000000000663451516317240700302270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtaimextension.h" #include "qtaimcriticalpointlocator.h" #include "qtaimcubature.h" #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include #include #include #include #include #include #include using namespace Eigen; namespace Avogadro::QtPlugins { enum QTAIMExtensionIndex { FirstAction = 0, SecondAction, ThirdAction }; QTAIMExtension::QTAIMExtension(QObject* aParent) : QtGui::ExtensionPlugin(aParent) { // create an action for our first action auto* action = new QAction(this); action->setText(tr("Molecular Graph…")); m_actions.append(action); action->setData(FirstAction); connect(action, SIGNAL(triggered()), SLOT(triggered())); // create an action for our second action action = new QAction(this); action->setText(tr("Molecular Graph with Lone Pairs…")); m_actions.append(action); action->setData(SecondAction); connect(action, SIGNAL(triggered()), SLOT(triggered())); // create an action for our third action action = new QAction(this); action->setText(tr("Atomic Charge…")); m_actions.append(action); action->setData(ThirdAction); connect(action, SIGNAL(triggered()), SLOT(triggered())); } QList QTAIMExtension::actions() const { return m_actions; } QStringList QTAIMExtension::menuPath(QAction*) const { return QStringList() << tr("&Analyze") << tr("QTAIM"); } void QTAIMExtension::setMolecule(QtGui::Molecule* molecule) { m_molecule = molecule; } void QTAIMExtension::triggered() { auto* action = qobject_cast(sender()); if (!action) return; bool wavefunctionAlreadyLoaded = m_molecule->property("QTAIMComment").isValid(); int i = action->data().toInt(); QString fileName; if (!wavefunctionAlreadyLoaded) { fileName = QFileDialog::getOpenFileName( new QWidget, tr("Open WFN File"), QDir::homePath(), tr("WFN files (*.wfn);;All files (*.*)")); if (fileName.isNull()) { qDebug() << "No such file."; return; } } // Instantiate a Wavefunction bool success = false; QTAIMWavefunction wfn; if (wavefunctionAlreadyLoaded) { success = wfn.initializeWithMoleculeProperties(m_molecule); } else { success = wfn.initializeWithWFNFile(fileName); } if (!success) { if (wavefunctionAlreadyLoaded) { qDebug() << "Error initializing wavefunction."; } else { qDebug() << "Error reading WFN file."; } return; } QtGui::Molecule::MoleculeChanges changes; if (m_molecule->atomCount() > 0) changes |= QtGui::Molecule::Atoms | QtGui::Molecule::Removed; if (m_molecule->bondCount() > 0) changes |= QtGui::Molecule::Bonds | QtGui::Molecule::Removed; m_molecule->clearAtoms(); m_molecule->emitChanged(static_cast(changes)); // Instantiate an Evaluator QTAIMWavefunctionEvaluator eval(wfn); switch (i) { case FirstAction: // Molecular Graph { // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results QList nucChargeList = wfn.nuclearChargesList(); QList ncpList = cpl.nuclearCriticalPoints(); QVariantList xNCPsVariantList; QVariantList yNCPsVariantList; QVariantList zNCPsVariantList; QVariantList nuclearChargesVariantList; const qreal convertBohrToAngstrom = 0.529177249; // Nuclear Critical Points for (qint64 n = 0; n < ncpList.length(); ++n) { QVector3D thisNuclearCriticalPoint = ncpList.at(n); qreal x = thisNuclearCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisNuclearCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisNuclearCriticalPoint.z() * convertBohrToAngstrom; xNCPsVariantList.append(x); yNCPsVariantList.append(y); zNCPsVariantList.append(z); nuclearChargesVariantList.append(wfn.nuclearCharge(n)); } m_molecule->setProperty("QTAIMXNuclearCriticalPoints", xNCPsVariantList); m_molecule->setProperty("QTAIMYNuclearCriticalPoints", yNCPsVariantList); m_molecule->setProperty("QTAIMZNuclearCriticalPoints", zNCPsVariantList); m_molecule->setProperty("QTAIMNuclearCharges", nuclearChargesVariantList); // Nuclei stored as Atoms for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { qreal x = wfn.xNuclearCoordinate(n) * convertBohrToAngstrom; qreal y = wfn.yNuclearCoordinate(n) * convertBohrToAngstrom; qreal z = wfn.zNuclearCoordinate(n) * convertBohrToAngstrom; int Z = (int)wfn.nuclearCharge(n); m_molecule->addAtom(static_cast(Z)) .setPosition3d(Vector3(static_cast(x), static_cast(y), static_cast(z))); } if (m_molecule->atomCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } // Locate the Bond Critical Points and Trace Bond Paths cpl.locateBondCriticalPoints(); // BCP and Bond Path Results QList bcpList = cpl.bondCriticalPoints(); QList> bondPathList = cpl.bondPaths(); QList> bondedAtomsList = cpl.bondedAtoms(); QList laplacianAtBondCriticalPoints = cpl.laplacianAtBondCriticalPoints(); QList ellipticityAtBondCriticalPoints = cpl.ellipticityAtBondCriticalPoints(); QVariantList xBCPsVariantList; QVariantList yBCPsVariantList; QVariantList zBCPsVariantList; QVariantList firstNCPIndexVariantList; QVariantList secondNCPIndexVariantList; QVariantList laplacianAtBondCriticalPointsVariantList; QVariantList ellipticityAtBondCriticalPointsVariantList; QVariantList bondPathSegmentStartIndexVariantList; QVariantList bondPathSegmentEndIndexVariantList; QVariantList xBondPathsVariantList; QVariantList yBondPathsVariantList; QVariantList zBondPathsVariantList; // Connectivity stored as Bonds qint64 bpCtr = 0; auto numAtoms = static_cast(m_molecule->atomCount()); for (qint64 atom0 = 0; atom0 < numAtoms - 1; ++atom0) { for (qint64 atom1 = atom0 + 1; atom1 < numAtoms; ++atom1) { bool areBonded = false; for (qint64 bondPair = 0; bondPair < bondedAtomsList.length(); ++bondPair) { if (atom0 == bondedAtomsList.at(bondPair).first && atom1 == bondedAtomsList.at(bondPair).second) { areBonded = true; if (areBonded) { if ((wfn.nuclearCharge(atom0) == 1 || wfn.nuclearCharge(atom1) == 1) && laplacianAtBondCriticalPoints.at(bondPair) > 0.0) { // do not draw Bond because it looks like hydrogen bond } else { m_molecule->addBond( m_molecule->atom(static_cast(atom0)), m_molecule->atom(static_cast(atom1))); // bond->setAromaticity(isAromatic); // bond->setOrder( (int) order); } qreal x = bcpList.at(bondPair).x() * convertBohrToAngstrom; qreal y = bcpList.at(bondPair).y() * convertBohrToAngstrom; qreal z = bcpList.at(bondPair).z() * convertBohrToAngstrom; xBCPsVariantList.append(x); yBCPsVariantList.append(y); zBCPsVariantList.append(z); firstNCPIndexVariantList.append(atom0); secondNCPIndexVariantList.append(atom1); laplacianAtBondCriticalPointsVariantList.append( laplacianAtBondCriticalPoints.at(bondPair)); ellipticityAtBondCriticalPointsVariantList.append( ellipticityAtBondCriticalPoints.at(bondPair)); bondPathSegmentStartIndexVariantList.append(bpCtr); for (auto j : bondPathList.at(bondPair)) { x = j.x() * convertBohrToAngstrom; y = j.y() * convertBohrToAngstrom; z = j.z() * convertBohrToAngstrom; xBondPathsVariantList.append(x); yBondPathsVariantList.append(y); zBondPathsVariantList.append(z); bpCtr++; } bondPathSegmentEndIndexVariantList.append(bpCtr); } } } // bond pairs } // atom1 } // atom 0 m_molecule->setProperty("QTAIMXBondCriticalPoints", xBCPsVariantList); m_molecule->setProperty("QTAIMYBondCriticalPoints", yBCPsVariantList); m_molecule->setProperty("QTAIMZBondCriticalPoints", zBCPsVariantList); m_molecule->setProperty("QTAIMFirstNCPIndexVariantList", firstNCPIndexVariantList); m_molecule->setProperty("QTAIMSecondNCPIndexVariantList", secondNCPIndexVariantList); m_molecule->setProperty("QTAIMLaplacianAtBondCriticalPoints", laplacianAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMEllipticityAtBondCriticalPoints", ellipticityAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMBondPathSegmentStartIndex", bondPathSegmentStartIndexVariantList); m_molecule->setProperty("QTAIMBondPathSegmentEndIndex", bondPathSegmentEndIndexVariantList); m_molecule->setProperty("QTAIMXBondPaths", xBondPathsVariantList); m_molecule->setProperty("QTAIMYBondPaths", yBondPathsVariantList); m_molecule->setProperty("QTAIMZBondPaths", zBondPathsVariantList); if (m_molecule->bondCount()) { m_molecule->emitChanged(QtGui::Molecule::Bonds | QtGui::Molecule::Added); } } break; case SecondAction: // Molecular Graph with Lone Pairs { // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results QList nucChargeList = wfn.nuclearChargesList(); QList ncpList = cpl.nuclearCriticalPoints(); QVariantList xNCPsVariantList; QVariantList yNCPsVariantList; QVariantList zNCPsVariantList; QVariantList nuclearChargesVariantList; const qreal convertBohrToAngstrom = 0.529177249; // Nuclear Critical Points for (qint64 n = 0; n < ncpList.length(); ++n) { QVector3D thisNuclearCriticalPoint = ncpList.at(n); qreal x = thisNuclearCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisNuclearCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisNuclearCriticalPoint.z() * convertBohrToAngstrom; xNCPsVariantList.append(x); yNCPsVariantList.append(y); zNCPsVariantList.append(z); nuclearChargesVariantList.append(wfn.nuclearCharge(n)); } m_molecule->setProperty("QTAIMXNuclearCriticalPoints", xNCPsVariantList); m_molecule->setProperty("QTAIMYNuclearCriticalPoints", yNCPsVariantList); m_molecule->setProperty("QTAIMZNuclearCriticalPoints", zNCPsVariantList); m_molecule->setProperty("QTAIMNuclearCharges", nuclearChargesVariantList); // Nuclei stored as Atoms for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { qreal x = wfn.xNuclearCoordinate(n) * convertBohrToAngstrom; qreal y = wfn.yNuclearCoordinate(n) * convertBohrToAngstrom; qreal z = wfn.zNuclearCoordinate(n) * convertBohrToAngstrom; int Z = (int)wfn.nuclearCharge(n); m_molecule->addAtom(static_cast(Z)) .setPosition3d(Vector3(static_cast(x), static_cast(y), static_cast(z))); } if (m_molecule->atomCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } // Locate the Bond Critical Points and Trace Bond Paths cpl.locateBondCriticalPoints(); // BCP and Bond Path Results QList bcpList = cpl.bondCriticalPoints(); QList> bondPathList = cpl.bondPaths(); QList> bondedAtomsList = cpl.bondedAtoms(); QList laplacianAtBondCriticalPoints = cpl.laplacianAtBondCriticalPoints(); QList ellipticityAtBondCriticalPoints = cpl.ellipticityAtBondCriticalPoints(); QVariantList xBCPsVariantList; QVariantList yBCPsVariantList; QVariantList zBCPsVariantList; QVariantList firstNCPIndexVariantList; QVariantList secondNCPIndexVariantList; QVariantList laplacianAtBondCriticalPointsVariantList; QVariantList ellipticityAtBondCriticalPointsVariantList; QVariantList bondPathSegmentStartIndexVariantList; QVariantList bondPathSegmentEndIndexVariantList; QVariantList xBondPathsVariantList; QVariantList yBondPathsVariantList; QVariantList zBondPathsVariantList; // Connectivity stored as Bonds qint64 bpCtr = 0; auto numAtoms = static_cast(m_molecule->atomCount()); for (qint64 atom0 = 0; atom0 < numAtoms - 1; ++atom0) { for (qint64 atom1 = atom0 + 1; atom1 < numAtoms; ++atom1) { bool areBonded = false; for (qint64 bondPair = 0; bondPair < bondedAtomsList.length(); ++bondPair) { if (atom0 == bondedAtomsList.at(bondPair).first && atom1 == bondedAtomsList.at(bondPair).second) { areBonded = true; if (areBonded) { if ((wfn.nuclearCharge(atom0) == 1 || wfn.nuclearCharge(atom1) == 1) && laplacianAtBondCriticalPoints.at(bondPair) > 0.0) { // do not draw Bond because it looks like hydrogen bond } else { m_molecule->addBond( m_molecule->atom(static_cast(atom0)), m_molecule->atom(static_cast(atom1))); // bond->setAromaticity(isAromatic); // bond->setOrder( (int) order); } qreal x = bcpList.at(bondPair).x() * convertBohrToAngstrom; qreal y = bcpList.at(bondPair).y() * convertBohrToAngstrom; qreal z = bcpList.at(bondPair).z() * convertBohrToAngstrom; xBCPsVariantList.append(x); yBCPsVariantList.append(y); zBCPsVariantList.append(z); firstNCPIndexVariantList.append(atom0); secondNCPIndexVariantList.append(atom1); laplacianAtBondCriticalPointsVariantList.append( laplacianAtBondCriticalPoints.at(bondPair)); ellipticityAtBondCriticalPointsVariantList.append( ellipticityAtBondCriticalPoints.at(bondPair)); bondPathSegmentStartIndexVariantList.append(bpCtr); for (auto j : bondPathList.at(bondPair)) { x = j.x() * convertBohrToAngstrom; y = j.y() * convertBohrToAngstrom; z = j.z() * convertBohrToAngstrom; xBondPathsVariantList.append(x); yBondPathsVariantList.append(y); zBondPathsVariantList.append(z); bpCtr++; } bondPathSegmentEndIndexVariantList.append(bpCtr); } } } // bond pairs } // atom1 } // atom 0 m_molecule->setProperty("QTAIMXBondCriticalPoints", xBCPsVariantList); m_molecule->setProperty("QTAIMYBondCriticalPoints", yBCPsVariantList); m_molecule->setProperty("QTAIMZBondCriticalPoints", zBCPsVariantList); m_molecule->setProperty("QTAIMFirstNCPIndexVariantList", firstNCPIndexVariantList); m_molecule->setProperty("QTAIMSecondNCPIndexVariantList", secondNCPIndexVariantList); m_molecule->setProperty("QTAIMLaplacianAtBondCriticalPoints", laplacianAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMEllipticityAtBondCriticalPoints", ellipticityAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMBondPathSegmentStartIndex", bondPathSegmentStartIndexVariantList); m_molecule->setProperty("QTAIMBondPathSegmentEndIndex", bondPathSegmentEndIndexVariantList); m_molecule->setProperty("QTAIMXBondPaths", xBondPathsVariantList); m_molecule->setProperty("QTAIMYBondPaths", yBondPathsVariantList); m_molecule->setProperty("QTAIMZBondPaths", zBondPathsVariantList); if (m_molecule->bondCount()) { m_molecule->emitChanged(QtGui::Molecule::Bonds | QtGui::Molecule::Added); } // Locate Electron Density Sources / Lone Pairs cpl.locateElectronDensitySources(); QList electronDensitySourcesList = cpl.electronDensitySources(); QVariantList xElectronDensitySourcesVariantList; QVariantList yElectronDensitySourcesVariantList; QVariantList zElectronDensitySourcesVariantList; for (auto thisCriticalPoint : electronDensitySourcesList) { qreal x = thisCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisCriticalPoint.z() * convertBohrToAngstrom; xElectronDensitySourcesVariantList.append(x); yElectronDensitySourcesVariantList.append(y); zElectronDensitySourcesVariantList.append(z); } m_molecule->setProperty("QTAIMXElectronDensitySources", xElectronDensitySourcesVariantList); m_molecule->setProperty("QTAIMYElectronDensitySources", yElectronDensitySourcesVariantList); m_molecule->setProperty("QTAIMZElectronDensitySources", zElectronDensitySourcesVariantList); // TODO need some way to indicate that the properties have changed: // m_molecule->update(); } break; case ThirdAction: // perform third action { // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results QList nucChargeList = wfn.nuclearChargesList(); QList ncpList = cpl.nuclearCriticalPoints(); QVariantList xNCPsVariantList; QVariantList yNCPsVariantList; QVariantList zNCPsVariantList; QVariantList nuclearChargesVariantList; const qreal convertBohrToAngstrom = 0.529177249; // Nuclear Critical Points for (qint64 n = 0; n < ncpList.length(); ++n) { QVector3D thisNuclearCriticalPoint = ncpList.at(n); qreal x = thisNuclearCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisNuclearCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisNuclearCriticalPoint.z() * convertBohrToAngstrom; xNCPsVariantList.append(x); yNCPsVariantList.append(y); zNCPsVariantList.append(z); nuclearChargesVariantList.append(wfn.nuclearCharge(n)); } m_molecule->setProperty("QTAIMXNuclearCriticalPoints", xNCPsVariantList); m_molecule->setProperty("QTAIMYNuclearCriticalPoints", yNCPsVariantList); m_molecule->setProperty("QTAIMZNuclearCriticalPoints", zNCPsVariantList); m_molecule->setProperty("QTAIMNuclearCharges", nuclearChargesVariantList); // Nuclei stored as Atoms for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { qreal x = wfn.xNuclearCoordinate(n) * convertBohrToAngstrom; qreal y = wfn.yNuclearCoordinate(n) * convertBohrToAngstrom; qreal z = wfn.zNuclearCoordinate(n) * convertBohrToAngstrom; int Z = (int)wfn.nuclearCharge(n); m_molecule->addAtom(static_cast(Z)) .setPosition3d(Vector3(static_cast(x), static_cast(y), static_cast(z))); } if (m_molecule->atomCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } // Locate the Bond Critical Points and Trace Bond Paths cpl.locateBondCriticalPoints(); // BCP and Bond Path Results QList bcpList = cpl.bondCriticalPoints(); QList> bondPathList = cpl.bondPaths(); QList> bondedAtomsList = cpl.bondedAtoms(); QList laplacianAtBondCriticalPoints = cpl.laplacianAtBondCriticalPoints(); QList ellipticityAtBondCriticalPoints = cpl.ellipticityAtBondCriticalPoints(); QVariantList xBCPsVariantList; QVariantList yBCPsVariantList; QVariantList zBCPsVariantList; QVariantList firstNCPIndexVariantList; QVariantList secondNCPIndexVariantList; QVariantList laplacianAtBondCriticalPointsVariantList; QVariantList ellipticityAtBondCriticalPointsVariantList; QVariantList bondPathSegmentStartIndexVariantList; QVariantList bondPathSegmentEndIndexVariantList; QVariantList xBondPathsVariantList; QVariantList yBondPathsVariantList; QVariantList zBondPathsVariantList; // Connectivity stored as Bonds qint64 bpCtr = 0; auto numAtoms = static_cast(m_molecule->atomCount()); for (qint64 atom0 = 0; atom0 < numAtoms - 1; ++atom0) { for (qint64 atom1 = atom0 + 1; atom1 < numAtoms; ++atom1) { bool areBonded = false; for (qint64 bondPair = 0; bondPair < bondedAtomsList.length(); ++bondPair) { if (atom0 == bondedAtomsList.at(bondPair).first && atom1 == bondedAtomsList.at(bondPair).second) { areBonded = true; if (areBonded) { if ((wfn.nuclearCharge(atom0) == 1 || wfn.nuclearCharge(atom1) == 1) && laplacianAtBondCriticalPoints.at(bondPair) > 0.0) { // do not draw Bond because it looks like hydrogen bond } else { m_molecule->addBond( m_molecule->atom(static_cast(atom0)), m_molecule->atom(static_cast(atom1))); // bond->setAromaticity(isAromatic); // bond->setOrder( (int) order); } qreal x = bcpList.at(bondPair).x() * convertBohrToAngstrom; qreal y = bcpList.at(bondPair).y() * convertBohrToAngstrom; qreal z = bcpList.at(bondPair).z() * convertBohrToAngstrom; xBCPsVariantList.append(x); yBCPsVariantList.append(y); zBCPsVariantList.append(z); firstNCPIndexVariantList.append(atom0); secondNCPIndexVariantList.append(atom1); laplacianAtBondCriticalPointsVariantList.append( laplacianAtBondCriticalPoints.at(bondPair)); ellipticityAtBondCriticalPointsVariantList.append( ellipticityAtBondCriticalPoints.at(bondPair)); bondPathSegmentStartIndexVariantList.append(bpCtr); for (auto j : bondPathList.at(bondPair)) { x = j.x() * convertBohrToAngstrom; y = j.y() * convertBohrToAngstrom; z = j.z() * convertBohrToAngstrom; xBondPathsVariantList.append(x); yBondPathsVariantList.append(y); zBondPathsVariantList.append(z); bpCtr++; } bondPathSegmentEndIndexVariantList.append(bpCtr); } } } // bond pairs } // atom1 } // atom 0 m_molecule->setProperty("QTAIMXBondCriticalPoints", xBCPsVariantList); m_molecule->setProperty("QTAIMYBondCriticalPoints", yBCPsVariantList); m_molecule->setProperty("QTAIMZBondCriticalPoints", zBCPsVariantList); m_molecule->setProperty("QTAIMFirstNCPIndexVariantList", firstNCPIndexVariantList); m_molecule->setProperty("QTAIMSecondNCPIndexVariantList", secondNCPIndexVariantList); m_molecule->setProperty("QTAIMLaplacianAtBondCriticalPoints", laplacianAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMEllipticityAtBondCriticalPoints", ellipticityAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMBondPathSegmentStartIndex", bondPathSegmentStartIndexVariantList); m_molecule->setProperty("QTAIMBondPathSegmentEndIndex", bondPathSegmentEndIndexVariantList); m_molecule->setProperty("QTAIMXBondPaths", xBondPathsVariantList); m_molecule->setProperty("QTAIMYBondPaths", yBondPathsVariantList); m_molecule->setProperty("QTAIMZBondPaths", zBondPathsVariantList); if (m_molecule->bondCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Bonds | QtGui::Molecule::Added); } // Electron Density qint64 mode = 0; // All Atomic Basins QList basins; for (qint64 j = 0; j < wfn.numberOfNuclei(); ++j) { basins.append(j); } QTAIMCubature cub(wfn); // QTime time; // time.start(); QList> results = cub.integrate(mode, basins); // qDebug() << "Time Elapsed:" << time.elapsed(); for (qint64 j = 0; j < results.length(); ++j) { qDebug() << "basin" << j << results.at(j).first << results.at(j).second; } // TODO: Set the properties of the atoms. // I don't know why this bombs. for (qint64 j = 0; static_cast(m_molecule->atomCount()); ++j) { // Atom *atom=m_molecule->atoms().at(i); // const qreal charge=results.at(i).first; // atom->setPartialCharge( charge ); } } break; } emit requestActiveTool("Navigator"); emit requestActiveDisplayTypes(QStringList() << "QTAIMScenePlugin"); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimextension.h000066400000000000000000000021251516317240700276560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef QTAIMEXTENSION_H #define QTAIMEXTENSION_H #include #include namespace Avogadro::QtPlugins { class QTAIMExtension : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit QTAIMExtension(QObject* parent = nullptr); ~QTAIMExtension() override = default; QString name() const override { return tr("QTAIM"); } QString description() const override { return tr("QTAIM extension"); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* molecule) override; private slots: void triggered(); private: QList m_actions; QtGui::Molecule* m_molecule; }; } // end namespace Avogadro::QtPlugins #endif // QTAIMEXTENSION_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimlsodaintegrator.cpp000066400000000000000000002137431516317240700314100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* From tam@dragonfly.wri.com Wed Apr 24 01:35:52 1991 Return-Path: Date: Wed, 24 Apr 91 03:35:24 CDT From: tam@dragonfly.wri.com To: whitbeck@wheeler.wrc.unr.edu Subject: lsoda.c Cc: augenbau@sparc0.brc.uconn.edu I'm told by Steve Nichols at Georgia Tech that you are interested in a stiff integrator. Here's a translation of the fortran code LSODA. Please note that there is no comment. The interface is the same as the FORTRAN code and I believe the documentation in LSODA will suffice. As usual, a free software comes with no guarantee. Hon Wah Tam Wolfram Research, Inc. tam@wri.com */ #include "qtaimlsodaintegrator.h" #include "qtaimmathutilities.h" namespace Avogadro::QtPlugins { QTAIMLSODAIntegrator::QTAIMLSODAIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode) : m_eval(&eval), m_mode(mode), m_associatedSphere(0) { m_betaSpheres.clear(); } QVector3D QTAIMLSODAIntegrator::integrate(QVector3D x0y0z0) { qreal x0 = x0y0z0.x(); qreal y0 = x0y0z0.y(); qreal z0 = x0y0z0.z(); mord[0] = 0; mord[1] = 12; mord[2] = 5; sm1[0] = 0.; sm1[1] = 0.5; sm1[2] = 0.575; sm1[3] = 0.55; sm1[4] = 0.45; sm1[5] = 0.35; sm1[6] = 0.25; sm1[7] = 0.2; sm1[8] = 0.15; sm1[9] = 0.1; sm1[10] = 0.075; sm1[11] = 0.05; sm1[12] = 0.025; illin = 0; init = 0; ntrep = 0; ixpr = 0; mesflg = 1; double rwork1, rwork5, rwork6, rwork7; double atol[4], rtol[4], t, tout, y[4]; int iwork1, iwork2, iwork5, iwork6, iwork7, iwork8, iwork9; int neq = 3; int itol, itask, istate, iopt, jt; y[1] = x0; y[2] = y0; y[3] = z0; double t0; double tf = 100.0; double dt = 0.1; m_path.clear(); m_path.append(QVector3D(y[1], y[2], y[3])); t = 0.0; for (t0 = 0.0; t0 < tf; t0 = t0 + dt) { iwork1 = iwork2 = iwork5 = iwork6 = iwork7 = iwork8 = iwork9 = 0; rwork1 = rwork5 = rwork6 = rwork7 = 0.0; t = t0; tout = t0 + dt; itol = 2; rtol[0] = 0.0; atol[0] = 0.0; rtol[1] = 0.0; rtol[2] = 0.0; rtol[3] = 0.0; atol[1] = 5.0E-5; atol[2] = 5.0E-5; atol[3] = 5.0E-5; itask = 1; istate = 1; iopt = 0; jt = 2; // if( t0 + dt > tf ) qDebug() << "END"; // beta spheres if (m_mode == QTAIMLSODAIntegrator::SteepestAscentPathInElectronDensity) { if (m_betaSpheres.length() > 0) { for (qint64 n_ = 0; n_ < m_betaSpheres.length(); ++n_) { Matrix a(y[1], y[2], y[3]); Matrix b(m_betaSpheres.at(n_).first.x(), m_betaSpheres.at(n_).first.y(), m_betaSpheres.at(n_).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < m_betaSpheres.at(n_).second) { m_status = 0; m_associatedSphere = n_; return QVector3D(m_betaSpheres.at(n_).first.x(), m_betaSpheres.at(n_).first.y(), m_betaSpheres.at(n_).first.z()); } } } } // beta spheres lsoda(neq, y, &t, tout, itol, rtol, atol, itask, &istate, iopt, jt, iwork1, iwork2, iwork5, iwork6, iwork7, iwork8, iwork9, rwork1, rwork5, rwork6, rwork7); m_path.append(QVector3D(y[1], y[2], y[3])); // qDebug(" at t= %12.4e y= %14.6e %14.6e %14.6e", t,y[1],y[2],y[3]); if (istate <= 0) { // qDebug("error istate = %d",istate); // qDebug(" at t= %12.4e y= %14.6e %14.6e %14.6e", // t,y[1],y[2],y[3]); return QVector3D(y[1], y[2], y[3]); } } // ode step return QVector3D(y[1], y[2], y[3]); } void QTAIMLSODAIntegrator::f(int neq, double t, double* y, double* ydot) { neq = neq; // suppress warning t = t; // suppress warning Matrix gradient; Matrix gH; Matrix g; Matrix H; Matrix xyz; xyz << y[1], y[2], y[3]; if (m_mode == SteepestAscentPathInElectronDensity) { g = m_eval->gradientOfElectronDensity(xyz); } else { if (m_mode == 1 || m_mode == 2 || m_mode == 3 || m_mode == 4) { gH = m_eval->gradientAndHessianOfElectronDensity(xyz); } else { gH = m_eval->gradientAndHessianOfElectronDensityLaplacian(xyz); } g(0) = gH(0, 0); g(1) = gH(1, 0); g(2) = gH(2, 0); H(0, 0) = gH(0, 1); H(1, 0) = gH(1, 1); H(2, 0) = gH(2, 1); H(0, 1) = gH(0, 2); H(1, 1) = gH(1, 2); H(2, 1) = gH(2, 2); H(0, 2) = gH(0, 3); H(1, 2) = gH(1, 3); H(2, 2) = gH(2, 3); } switch (m_mode) { case SteepestAscentPathInElectronDensity: gradient = g; break; case CMBPMinusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; default: qDebug() << "Catastrophic: No ODE parameters for this property."; break; } qreal normGradient = std::hypot(gradient(0), gradient(1), gradient(2)); ydot[1] = gradient(0) / normGradient; ydot[2] = gradient(1) / normGradient; ydot[3] = gradient(2) / normGradient; } void QTAIMLSODAIntegrator::daxpy(int n_, double da, double* dx, int incx, double* dy, int incy) /* Purpose : To compute dy = da * dx + dy --- Input --- n : number of elements in input vector(s) da : double scalar multiplier dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx dy : double vector with n+1 elements, dy[0] is not used incy : storage spacing between elements of dy --- Output --- dy = da * dx + dy, unchanged if n <= 0 For i = 0 to n-1, replace dy[ly+i*incy] with da*dx[lx+i*incx] + dy[ly+i*incy], where lx = 1 if incx >= 0, else lx = (-incx)*(n-1)+1 and ly is defined in a similar way using incy. */ { int ix, iy, i, m; if (n_ < 0 || da == 0.) return; /* Code for nonequal or nonpositive increments. */ if (incx != incy || incx < 1) { ix = 1; iy = 1; if (incx < 0) ix = (-n_ + 1) * incx + 1; if (incy < 0) iy = (-n_ + 1) * incy + 1; for (i = 1; i <= n_; i++) { dy[iy] = dy[iy] + da * dx[ix]; ix = ix + incx; iy = iy + incy; } return; } /* Code for both increments equal to 1. */ /* Clean-up loop so remaining vector length is a multiple of 4. */ if (incx == 1) { m = n_ % 4; if (m != 0) { for (i = 1; i <= m; i++) dy[i] = dy[i] + da * dx[i]; if (n_ < 4) return; } for (i = m + 1; i <= n_; i = i + 4) { dy[i] = dy[i] + da * dx[i]; dy[i + 1] = dy[i + 1] + da * dx[i + 1]; dy[i + 2] = dy[i + 2] + da * dx[i + 2]; dy[i + 3] = dy[i + 3] + da * dx[i + 3]; } return; } /* Code for equal, positive, nonunit increments. */ for (i = 1; i <= n_ * incx; i = i + incx) dy[i] = da * dx[i] + dy[i]; } double QTAIMLSODAIntegrator::ddot(int n_, double* dx, int incx, double* dy, int incy) /* Purpose : Inner product dx . dy --- Input --- n : number of elements in input vector(s) dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx dy : double vector with n+1 elements, dy[0] is not used incy : storage spacing between elements of dy --- Output --- ddot : dot product dx . dy, 0 if n <= 0 ddot = sum for i = 0 to n-1 of dx[lx+i*incx] * dy[ly+i*incy] where lx = 1 if incx >= 0, else lx = (-incx)*(n-1)+1, and ly is defined in a similar way using incy. */ { double dotprod; int ix, iy, i, m; dotprod = 0.; if (n_ <= 0) return dotprod; /* Code for unequal or nonpositive increments. */ if (incx != incy || incx < 1) { ix = 1; iy = 1; if (incx < 0) ix = (-n_ + 1) * incx + 1; if (incy < 0) iy = (-n_ + 1) * incy + 1; for (i = 1; i <= n_; i++) { dotprod = dotprod + dx[ix] * dy[iy]; ix = ix + incx; iy = iy + incy; } return dotprod; } /* Code for both increments equal to 1. */ /* Clean-up loop so remaining vector length is a multiple of 5. */ if (incx == 1) { m = n_ % 5; if (m != 0) { for (i = 1; i <= m; i++) dotprod = dotprod + dx[i] * dy[i]; if (n_ < 5) return dotprod; } for (i = m + 1; i <= n_; i = i + 5) dotprod = dotprod + dx[i] * dy[i] + dx[i + 1] * dy[i + 1] + dx[i + 2] * dy[i + 2] + dx[i + 3] * dy[i + 3] + dx[i + 4] * dy[i + 4]; return dotprod; } /* Code for positive equal nonunit increments. */ for (i = 1; i <= n_ * incx; i = i + incx) dotprod = dotprod + dx[i] * dy[i]; return dotprod; } void QTAIMLSODAIntegrator::dgefa(double** a, int n_, int* ipvt_, int* info) /* Purpose : dgefa factors a double matrix by Gaussian elimination. dgefa is usually called by dgeco, but it can be called directly with a saving in time if rcond is not needed. (Time for dgeco) = (1+9/n)*(time for dgefa). This c version uses algorithm kji rather than the kij in dgefa.f. Note that the fortran version input variable lda is not needed. On Entry : a : double matrix of dimension ( n+1, n+1 ), the 0-th row and column are not used. a is created using NewDoubleMatrix, hence lda is unnecessary. n : the row dimension of a. On Return : a : a lower triangular matrix and the multipliers which were used to obtain it. The factorization can be written a = L * U where U is a product of permutation and unit upper triangular matrices and L is lower triangular. ipvt : an n+1 integer vector of pivot indices. *info : = 0 normal value, = k if U[k][k] == 0. This is not an error condition for this subroutine, but it does indicate that dgesl or dgedi will divide by zero if called. Use rcond in dgeco for a reliable indication of singularity. Notice that the calling program must use &info. BLAS : daxpy, dscal, idamax */ { int j, k, i; double t; /* Gaussian elimination with partial pivoting. */ *info = 0; for (k = 1; k <= n_ - 1; k++) { /* Find j = pivot index. Note that a[k]+k-1 is the address of the 0-th element of the row vector whose 1st element is a[k][k]. */ j = idamax(n_ - k + 1, a[k] + k - 1, 1) + k - 1; ipvt_[k] = j; /* Zero pivot implies this row already triangularized. */ if (a[k][j] == 0.) { *info = k; continue; } /* Interchange if necessary. */ if (j != k) { t = a[k][j]; a[k][j] = a[k][k]; a[k][k] = t; } /* Compute multipliers. */ t = -1. / a[k][k]; dscal(n_ - k, t, a[k] + k, 1); /* Column elimination with row indexing. */ for (i = k + 1; i <= n_; i++) { t = a[i][j]; if (j != k) { a[i][j] = a[i][k]; a[i][k] = t; } daxpy(n_ - k, t, a[k] + k, 1, a[i] + k, 1); } } /* end k-loop */ ipvt_[n_] = n_; if (a[n_][n_] == 0.) *info = n_; } void QTAIMLSODAIntegrator::dgesl(double** a, int n_, int* ipvt_, double* b, int job) /* Purpose : dgesl solves the linear system a * x = b or Transpose(a) * x = b using the factors computed by dgeco or degfa. On Entry : a : double matrix of dimension ( n+1, n+1 ), the output from dgeco or dgefa. The 0-th row and column are not used. n : the row dimension of a. ipvt : the pivot vector from degco or dgefa. b : the right hand side vector. job : = 0 to solve a * x = b, = nonzero to solve Transpose(a) * x = b. On Return : b : the solution vector x. Error Condition : A division by zero will occur if the input factor contains a zero on the diagonal. Technically this indicates singularity but it is often caused by improper arguments or improper setting of the pointers of a. It will not occur if the subroutines are called correctly and if dgeco has set rcond > 0 or dgefa has set info = 0. BLAS : daxpy, ddot */ { int k, j; double t; /* Job = 0, solve a * x = b. */ if (job == 0) { /* First solve L * y = b. */ for (k = 1; k <= n_; k++) { t = ddot(k - 1, a[k], 1, b, 1); b[k] = (b[k] - t) / a[k][k]; } /* Now solve U * x = y. */ for (k = n_ - 1; k >= 1; k--) { b[k] = b[k] + ddot(n_ - k, a[k] + k, 1, b + k, 1); j = ipvt_[k]; if (j != k) { t = b[j]; b[j] = b[k]; b[k] = t; } } return; } /* Job = nonzero, solve Transpose(a) * x = b. First solve Transpose(U) * y = b. */ for (k = 1; k <= n_ - 1; k++) { j = ipvt_[k]; t = b[j]; if (j != k) { b[j] = b[k]; b[k] = t; } daxpy(n_ - k, t, a[k] + k, 1, b + k, 1); } /* Now solve Transpose(L) * x = y. */ for (k = n_; k >= 1; k--) { b[k] = b[k] / a[k][k]; t = -b[k]; daxpy(k - 1, t, a[k], 1, b, 1); } } void QTAIMLSODAIntegrator::dscal(int n_, double da, double* dx, int incx) /* Purpose : scalar vector multiplication dx = da * dx --- Input --- n : number of elements in input vector da : double scale factor dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx --- Output --- dx = da * dx, unchanged if n <= 0 For i = 0 to n-1, replace dx[1+i*incx] with da * dx[1+i*incx]. */ { int m, i; if (n_ <= 0) return; /* Code for increments not equal to 1. */ if (incx != 1) { for (i = 1; i <= n_ * incx; i = i + incx) dx[i] = da * dx[i]; return; } /* Code for increments equal to 1. */ /* Clean-up loop so remaining vector length is a multiple of 5. */ m = n_ % 5; if (m != 0) { for (i = 1; i <= m; i++) dx[i] = da * dx[i]; if (n_ < 5) return; } for (i = m + 1; i <= n_; i = i + 5) { dx[i] = da * dx[i]; dx[i + 1] = da * dx[i + 1]; dx[i + 2] = da * dx[i + 2]; dx[i + 3] = da * dx[i + 3]; dx[i + 4] = da * dx[i + 4]; } } int QTAIMLSODAIntegrator::idamax(int n_, double* dx, int incx) /* Purpose : Find largest component of double vector dx --- Input --- n : number of elements in input vector dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx --- Output --- idamax : smallest index, 0 if n <= 0 Find smallest index of maximum magnitude of dx. idamax = first i, i=1 to n, to minimize fabs( dx[1-incx+i*incx] ). */ { double dmax, xmag; int i, ii, xindex; xindex = 0; if (n_ <= 0) return xindex; xindex = 1; if (n_ <= 1 || incx <= 0) return xindex; /* Code for increments not equal to 1. */ if (incx != 1) { dmax = fabs(dx[1]); ii = 2; for (i = 1 + incx; i <= n_ * incx; i = i + incx) { xmag = fabs(dx[i]); if (xmag > dmax) { xindex = ii; dmax = xmag; } ii++; } return xindex; } /* Code for increments equal to 1. */ dmax = fabs(dx[1]); for (i = 2; i <= n_; i++) { xmag = fabs(dx[i]); if (xmag > dmax) { xindex = i; dmax = xmag; } } return xindex; } // lsoda.c #define max(a, b) ((a) > (b) ? (a) : (b)) #define min(a, b) ((a) < (b) ? (a) : (b)) #define ETA 2.2204460492503131e-16 /* static void prja(), solsy(), stoda(), cfode(), ewset(), intdy(), terminate(), terminate2(), successreturn(), scaleh(), correction(), methodswitch(), orderswitch(), endstoda(), resetcoeff(), freevectors(), corfailure(); static double vmnorm(), bnorm(), fnorm(); */ /* The following are useful statistics. hu, h, tn, tolsf, tsw, nst, nfe, nje, nqu, nq, imxer, mused, meth */ /* Terminate lsoda due to illegal input. */ void QTAIMLSODAIntegrator::terminate(int* istate) { if (illin == 5) { qDebug("lsoda -- repeated occurrence of illegal input"); qDebug(" run aborted.. apparent infinite loop"); } else { illin++; *istate = -3; } } /* end terminate */ /* Terminate lsoda due to various error conditions. */ void QTAIMLSODAIntegrator::terminate2(double* y, double* t) { int i; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; *t = tn; illin = 0; freevectors(); } /* end terminate2 */ /* The following block handles all successful returns from lsoda. If itask != 1, y is loaded from yh and t is set accordingly. *Istate is set to 2, the illegal input counter is zeroed, and the optional outputs are loaded into the work arrays before returning. */ void QTAIMLSODAIntegrator::successreturn(double* y, double* t, int itask, int ihit, double tcrit, int* istate) { int i; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; *t = tn; if (itask == 4 || itask == 5) if (ihit) *t = tcrit; *istate = 2; illin = 0; freevectors(); } /* end successreturn */ /* In this version all memory allocated using malloc is freed upon exit. Therefore *istate = 2 and *istate = 3 will not work. */ void QTAIMLSODAIntegrator::lsoda(int neq, double* y, double* t, double tout, int itol, double* rtol, double* atol, int itask, int* istate, int iopt, int jt, int iwork1, int iwork2, int iwork5, int iwork6, int iwork7, int iwork8, int iwork9, double rwork1, double rwork5, double rwork6, double rwork7) /* If the user does not supply any of these values, the calling program should initialize those untouched working variables to zero. ml = iwork1 mu = iwork2 ixpr = iwork5 mxstep = iwork6 mxhnil = iwork7 mxordn = iwork8 mxords = iwork9 tcrit = rwork1 h0 = rwork5 hmax = rwork6 hmin = rwork7 */ { int mxstp0 = 500, mxhnl0 = -1 /* 10 */; int i, iflag, lenyh; double atoli, ayi, big, hmax, hmx, rh, rtoli, tdist, tnext, tol, tolsf, tp, size, sum, w0; /* Block a. This code block is executed on every call. It tests *istate and itask for legality and branches appropriately. If *istate > 1 but the flag init shows that initialization has not yet been done, an error return occurs. If *istate = 1 and tout = t, return immediately. */ if (*istate < 1 || *istate > 3) { qDebug("lsoda -- illegal istate = %d", *istate); terminate(istate); return; } if (itask < 1 || itask > 5) { qDebug("lsoda -- illegal itask = %d", itask); terminate(istate); return; } if (init == 0 && (*istate == 2 || *istate == 3)) { qDebug("lsoda -- istate > 1 but lsoda not initialized"); terminate(istate); return; } if (*istate == 1) { init = 0; if (tout == *t) { ntrep++; if (ntrep < 5) return; qDebug("lsoda -- repeated calls with istate = 1 and tout = t"); qDebug(" run aborted.. apparent infinite loop"); return; } } /* Block b. The next code block is executed for the initial call ( *istate = 1 ), or for a continuation call with parameter changes ( *istate = 3 ). It contains checking of all inputs and various initializations. First check legality of the non-optional inputs neq, itol, iopt, jt, ml, and mu. */ double h0(0.0); if (*istate == 1 || *istate == 3) { ntrep = 0; if (neq <= 0) { qDebug("lsoda -- neq = %d is less than 1", neq); terminate(istate); return; } if (*istate == 3 && neq > n) { qDebug("lsoda -- istate = 3 and neq increased"); terminate(istate); return; } n = neq; if (itol < 1 || itol > 4) { qDebug("lsoda -- itol = %d illegal", itol); terminate(istate); return; } if (iopt < 0 || iopt > 1) { qDebug("lsoda -- iopt = %d illegal", iopt); terminate(istate); return; } if (jt == 3 || jt < 1 || jt > 5) { qDebug("lsoda -- jt = %d illegal", jt); terminate(istate); return; } jtyp = jt; if (jt > 2) { ml = iwork1; mu = iwork2; if (ml < 0 || ml >= n) { qDebug("lsoda -- ml = %d not between 1 and neq", ml); terminate(istate); return; } if (mu < 0 || mu >= n) { qDebug("lsoda -- mu = %d not between 1 and neq", mu); terminate(istate); return; } } /* Next process and check the optional inpus. */ /* Default options. */ if (iopt == 0) { ixpr = 0; mxstep = mxstp0; mxhnil = mxhnl0; hmxi = 0.; hmin = 0.; if (*istate == 1) { h0 = 0.; mxordn = mord[1]; mxords = mord[2]; } } /* end if ( iopt == 0 ) */ /* Optional inputs. */ else { /* if ( iopt = 1 ) */ ixpr = iwork5; if (ixpr < 0 || ixpr > 1) { qDebug("lsoda -- ixpr = %d is illegal", ixpr); terminate(istate); return; } mxstep = iwork6; if (mxstep < 0) { qDebug("lsoda -- mxstep < 0"); terminate(istate); return; } if (mxstep == 0) mxstep = mxstp0; mxhnil = iwork7; if (mxhnil < 0) { qDebug("lsoda -- mxhnil < 0"); terminate(istate); return; } if (*istate == 1) { h0 = rwork5; mxordn = iwork8; if (mxordn < 0) { qDebug("lsoda -- mxordn = %d is less than 0", mxordn); terminate(istate); return; } if (mxordn == 0) mxordn = 100; mxordn = min(mxordn, mord[1]); mxords = iwork9; if (mxords < 0) { qDebug("lsoda -- mxords = %d is less than 0", mxords); terminate(istate); return; } if (mxords == 0) mxords = 100; mxords = min(mxords, mord[2]); if ((tout - *t) * h0 < 0.) { qDebug("lsoda -- tout = %g behind t = %g", tout, *t); qDebug(" integration direction is given by %g", h0); terminate(istate); return; } } /* end if ( *istate == 1 ) */ hmax = rwork6; if (hmax < 0.) { qDebug("lsoda -- hmax < 0."); terminate(istate); return; } hmxi = 0.; if (hmax > 0) hmxi = 1. / hmax; hmin = rwork7; if (hmin < 0.) { qDebug("lsoda -- hmin < 0."); terminate(istate); return; } } /* end else */ /* end iopt = 1 */ } /* end if ( *istate == 1 || *istate == 3 ) */ /* If *istate = 1, meth is initialized to 1. Also allocate memory for yh, wm, ewt, savf, acor, ipvt. */ if (*istate == 1) { /* If memory were not freed, *istate = 3 need not reallocate memory. Hence this section is not executed by *istate = 3. */ sqrteta = sqrt(ETA); meth = 1; nyh = n; lenyh = 1 + max(mxordn, mxords); m_lenyh = lenyh; m_nyh = nyh; yh = (double**)malloc((1 + lenyh) * sizeof(*yh)); if (yh == nullptr) { qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } for (i = 1; i <= lenyh; i++) yh[i] = (double*)malloc((1 + nyh) * sizeof(double)); wm = (double**)malloc((1 + nyh) * sizeof(*wm)); if (wm == nullptr) { free(yh); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } for (i = 1; i <= nyh; i++) wm[i] = (double*)malloc((1 + nyh) * sizeof(double)); ewt = (double*)malloc((1 + nyh) * sizeof(double)); if (ewt == nullptr) { free(yh); free(wm); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } savf = (double*)malloc((1 + nyh) * sizeof(double)); if (savf == nullptr) { free(yh); free(wm); free(ewt); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } acor = (double*)malloc((1 + nyh) * sizeof(double)); if (acor == nullptr) { free(yh); free(wm); free(ewt); free(savf); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } ipvt = (int*)malloc((1 + nyh) * sizeof(int)); if (ipvt == nullptr) { free(yh); free(wm); free(ewt); free(savf); free(acor); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } } /* Check rtol and atol for legality. */ if (*istate == 1 || *istate == 3) { rtoli = rtol[1]; atoli = atol[1]; for (i = 1; i <= n; i++) { if (itol >= 3) rtoli = rtol[i]; if (itol == 2 || itol == 4) atoli = atol[i]; if (rtoli < 0.) { qDebug("lsoda -- rtol = %g is less than 0.", rtoli); terminate(istate); freevectors(); return; } if (atoli < 0.) { qDebug("lsoda -- atol = %g is less than 0.", atoli); terminate(istate); freevectors(); return; } } /* end for */ } /* end if ( *istate == 1 || *istate == 3 ) */ /* If *istate = 3, set flag to signal parameter changes to stoda. */ if (*istate == 3) { jstart = -1; } /* Block c. The next block is for the initial call only ( *istate = 1 ). It contains all remaining initializations, the initial call to f, and the calculation of the initial step size. The error weights in ewt are inverted after being loaded. */ int tcrit(0); if (*istate == 1) { tn = *t; tsw = *t; maxord = mxordn; if (itask == 4 || itask == 5) { tcrit = rwork1; if ((tcrit - tout) * (tout - *t) < 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tout"); terminate(istate); freevectors(); return; } if (h0 != 0. && (*t + h0 - tcrit) * h0 > 0.) h0 = tcrit - *t; } jstart = 0; nhnil = 0; nst = 0; nje = 0; nslast = 0; hu = 0.; nqu = 0; mused = 0; miter = 0; ccmax = 0.3; maxcor = 3; msbp = 20; mxncf = 10; /* Initial call to f. */ f(neq, *t, y, yh[2]); nfe = 1; /* Load the initial value vector in yh. */ yp1 = yh[1]; for (i = 1; i <= n; i++) yp1[i] = y[i]; /* Load and invert the ewt array. ( h is temporarily set to 1. ) */ nq = 1; h = 1.; ewset(itol, rtol, atol, y); for (i = 1; i <= n; i++) { if (ewt[i] <= 0.) { qDebug("lsoda -- ewt[%d] = %g <= 0.", i, ewt[i]); // ECB Comment out because wrong number of arguments. // terminate( y, yh, t, tn ); return; } ewt[i] = 1. / ewt[i]; } /* The coding below computes the step size, h0, to be attempted on the first step, unless the user has supplied a value for this. First check that tout - *t differs significantly from zero. A scalar tolerance quantity tol is computed, as max(rtol[i]) if this is positive, or max(atol[i]/fabs(y[i])) otherwise, adjusted so as to be between 100*ETA and 0.001. Then the computed value h0 is given by h0^(-2) = 1. / ( tol * w0^2 ) + tol * ( norm(f) )^2 where w0 = max( fabs(*t), fabs(tout) ), f = the initial value of the vector f(t,y), and norm() = the weighted vector norm used throughout, given by the vmnorm function routine, and weighted by the tolerances initially loaded into the ewt array. The sign of h0 is inferred from the initial values of tout and *t. fabs(h0) is made < fabs(tout-*t) in any case. */ if (h0 == 0.) { tdist = fabs(tout - *t); w0 = max(fabs(*t), fabs(tout)); if (tdist < 2. * ETA * w0) { qDebug("lsoda -- tout too close to t to start integration "); terminate(istate); freevectors(); return; } tol = rtol[1]; if (itol > 2) { for (i = 2; i <= n; i++) tol = max(tol, rtol[i]); } if (tol <= 0.) { atoli = atol[1]; for (i = 1; i <= n; i++) { if (itol == 2 || itol == 4) atoli = atol[i]; ayi = fabs(y[i]); if (ayi != 0.) tol = max(tol, atoli / ayi); } } tol = max(tol, 100. * ETA); tol = min(tol, 0.001); sum = vmnorm(n, yh[2], ewt); sum = 1. / (tol * w0 * w0) + tol * sum * sum; h0 = 1. / sqrt(sum); h0 = min(h0, tdist); h0 = h0 * ((tout - *t >= 0.) ? 1. : -1.); } /* end if ( h0 == 0. ) */ /* Adjust h0 if necessary to meet hmax bound. */ rh = fabs(h0) * hmxi; if (rh > 1.) h0 /= rh; /* Load h with h0 and scale yh[2] by h0. */ h = h0; yp1 = yh[2]; for (i = 1; i <= n; i++) yp1[i] *= h0; } /* if ( *istate == 1 ) */ /* Block d. The next code block is for continuation calls only ( *istate = 2 or 3 ) and is to check stop conditions before taking a step. */ int ihit(0); if (*istate == 2 || *istate == 3) { nslast = nst; switch (itask) { case 1: if ((tn - tout) * h >= 0.) { intdy(tout, 0, y, &iflag); if (iflag != 0) { qDebug("lsoda -- trouble from intdy, itask = %d, tout = %g", itask, tout); terminate(istate); freevectors(); return; } *t = tout; *istate = 2; illin = 0; freevectors(); return; } break; case 2: break; case 3: tp = tn - hu * (1. + 100. * ETA); if ((tp - tout) * h > 0.) { qDebug("lsoda -- itask = %d and tout behind tcur - hu", itask); terminate(istate); freevectors(); return; } if ((tn - tout) * h < 0.) break; successreturn(y, t, itask, ihit, tcrit, istate); return; case 4: tcrit = rwork1; if ((tn - tcrit) * h > 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tcur"); terminate(istate); freevectors(); return; } if ((tcrit - tout) * h < 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tout"); terminate(istate); freevectors(); return; } if ((tn - tout) * h >= 0.) { intdy(tout, 0, y, &iflag); if (iflag != 0) { qDebug("lsoda -- trouble from intdy, itask = %d, tout = %g", itask, tout); terminate(istate); freevectors(); return; } *t = tout; *istate = 2; illin = 0; freevectors(); return; } case 5: if (itask == 5) { tcrit = rwork1; if ((tn - tcrit) * h > 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tcur"); terminate(istate); freevectors(); return; } } hmx = fabs(tn) + fabs(h); ihit = fabs(tn - tcrit) <= (100. * ETA * hmx); if (ihit) { *t = tcrit; successreturn(y, t, itask, ihit, tcrit, istate); return; } tnext = tn + h * (1. + 4. * ETA); if ((tnext - tcrit) * h <= 0.) break; h = (tcrit - tn) * (1. - 4. * ETA); if (*istate == 2) jstart = -2; break; } /* end switch */ } /* end if ( *istate == 2 || *istate == 3 ) */ /* Block e. The next block is normally executed for all calls and contains the call to the one-step core integrator stoda. This is a looping point for the integration steps. First check for too many steps being taken, update ewt ( if not at start of problem). Check for too much accuracy being requested, and check for h below the roundoff level in *t. */ while (true) { if (*istate != 1 || nst != 0) { if ((nst - nslast) >= mxstep) { // qDebug( "lsoda -- %d steps taken before reaching tout", // mxstep ); *istate = -1; terminate2(y, t); return; } ewset(itol, rtol, atol, yh[1]); for (i = 1; i <= n; i++) { if (ewt[i] <= 0.) { qDebug("lsoda -- ewt[%d] = %g <= 0.", i, ewt[i]); *istate = -6; terminate2(y, t); return; } ewt[i] = 1. / ewt[i]; } } tolsf = ETA * vmnorm(n, yh[1], ewt); if (tolsf > 0.01) { tolsf = tolsf * 200.; if (nst == 0) { qDebug("lsoda -- at start of problem, too much accuracy"); qDebug(" requested for precision of machine,"); qDebug(" suggested scaling factor = %g", tolsf); terminate(istate); freevectors(); return; } qDebug("lsoda -- at t = %g, too much accuracy requested", *t); qDebug(" for precision of machine, suggested"); qDebug(" scaling factor = %g", tolsf); *istate = -2; terminate2(y, t); return; } if ((tn + h) == tn) { nhnil++; if (nhnil <= mxhnil) { qDebug("lsoda -- warning..internal t = %g and h = %g are", tn, h); qDebug(" such that in the machine, t + h = t on the next step"); qDebug(" solver will continue anyway."); if (nhnil == mxhnil) { qDebug("lsoda -- above warning has been issued %d times,", nhnil); qDebug(" it will not be issued again for this problem"); } } } /* Call stoda */ stoda(neq, y); /* qDebug( "meth= %d, order= %d, nfe= %d, nje= %d", meth, nq, nfe, nje ); qDebug( "t= %20.15e, h= %20.15e, nst=%d", tn, h, nst ); qDebug( "y= %20.15e, %20.15e, %20.15e", yh[1][1], yh[1][2], yh[1][3] ); */ if (kflag == 0) { /* Block f. The following block handles the case of a successful return from the core integrator ( kflag = 0 ). If a method switch was just made, record tsw, reset maxord, set jstart to -1 to signal stoda to complete the switch, and do extra printing of data if ixpr = 1. Then, in any case, check for stop conditions. */ init = 1; if (meth != mused) { tsw = tn; maxord = mxordn; if (meth == 2) maxord = mxords; jstart = -1; if (ixpr) { if (meth == 2) qDebug() << "lsoda -- a switch to the stiff method has occurred"; if (meth == 1) qDebug() << "lsoda -- a switch to the nonstiff method has occurred"; qDebug() << " at t = " << tn << ", tentative step size h = " << h << ", step nst = " << nst; } } /* end if ( meth != mused ) */ /* itask = 1. If tout has been reached, interpolate. */ if (itask == 1) { if ((tn - tout) * h < 0.) continue; intdy(tout, 0, y, &iflag); *t = tout; *istate = 2; illin = 0; freevectors(); return; } /* itask = 2. */ if (itask == 2) { successreturn(y, t, itask, ihit, tcrit, istate); return; } /* itask = 3. Jump to exit if tout was reached. */ if (itask == 3) { if ((tn - tout) * h >= 0.) { successreturn(y, t, itask, ihit, tcrit, istate); return; } continue; } /* itask = 4. See if tout or tcrit was reached. Adjust h if necessary. */ if (itask == 4) { if ((tn - tout) * h >= 0.) { intdy(tout, 0, y, &iflag); *t = tout; *istate = 2; illin = 0; freevectors(); return; } else { hmx = fabs(tn) + fabs(h); ihit = fabs(tn - tcrit) <= (100. * ETA * hmx); if (ihit) { successreturn(y, t, itask, ihit, tcrit, istate); return; } tnext = tn + h * (1. + 4. * ETA); if ((tnext - tcrit) * h <= 0.) continue; h = (tcrit - tn) * (1. - 4. * ETA); jstart = -2; continue; } } /* end if ( itask == 4 ) */ /* itask = 5. See if tcrit was reached and jump to exit. */ if (itask == 5) { hmx = fabs(tn) + fabs(h); ihit = fabs(tn - tcrit) <= (100. * ETA * hmx); successreturn(y, t, itask, ihit, tcrit, istate); return; } } /* end if ( kflag == 0 ) */ /* kflag = -1, error test failed repeatedly or with fabs(h) = hmin. kflag = -2, convergence failed repeatedly or with fabs(h) = hmin. */ if (kflag == -1 || kflag == -2) { qDebug("lsoda -- at t = %g and step size h = %g, the", tn, h); if (kflag == -1) { qDebug(" error test failed repeatedly or"); qDebug(" with fabs(h) = hmin"); *istate = -4; } if (kflag == -2) { qDebug(" corrector convergence failed repeatedly or"); qDebug(" with fabs(h) = hmin"); *istate = -5; } big = 0.; imxer = 1; for (i = 1; i <= n; i++) { size = fabs(acor[i]) * ewt[i]; if (big < size) { big = size; imxer = i; } } terminate2(y, t); return; } /* end if ( kflag == -1 || kflag == -2 ) */ } /* end while */ } /* end lsoda */ void QTAIMLSODAIntegrator::stoda(int neq, double* y) { int corflag, orderflag; int i, i1, j, m, ncf; double del, delp, dup, exup, r, rh, rhup, told; double pdh, pnorm; /* stoda performs one step of the integration of an initial value problem for a system of ordinary differential equations. Note.. stoda is independent of the value of the iteration method indicator miter, when this is != 0, and hence is independent of the type of chord method used, or the Jacobian structure. Communication with stoda is done with the following variables: jstart = an integer used for input only, with the following values and meanings: 0 perform the first step, > 0 take a new step continuing from the last, -1 take the next step with a new value of h, n, meth, miter, and/or matrix parameters. -2 take the next step with a new value of h, but with other inputs unchanged. kflag = a completion code with the following meanings: 0 the step was successful, -1 the requested error could not be achieved, -2 corrector convergence could not be achieved, -3 fatal error in prja or solsy. miter = corrector iteration method: 0 functional iteration, >0 a chord method corresponding to jacobian type jt. */ kflag = 0; told = tn; ncf = 0; ierpj = 0; iersl = 0; jcur = 0; delp = 0.; /* On the first call, the order is set to 1, and other variables are initialized. rmax is the maximum ratio by which h can be increased in a single step. It is initially 1.e4 to compensate for the small initial h, but then is normally equal to 10. If a filure occurs (in corrector convergence or error test), rmax is set at 2 for the next increase. cfode is called to get the needed coefficients for both methods. */ if (jstart == 0) { lmax = maxord + 1; nq = 1; l = 2; ialth = 2; rmax = 10000.; rc = 0.; el0 = 1.; crate = 0.7; hold = h; nslp = 0; ipup = miter; /* Initialize switching parameters. meth = 1 is assumed initially. */ icount = 20; irflag = 0; pdest = 0.; pdlast = 0.; ratio = 5.; cfode(2); for (i = 1; i <= 5; i++) cm2[i] = tesco[i][2] * elco[i][i + 1]; cfode(1); for (i = 1; i <= 12; i++) cm1[i] = tesco[i][2] * elco[i][i + 1]; resetcoeff(); } /* end if ( jstart == 0 ) */ /* The following block handles preliminaries needed when jstart = -1. ipup is set to miter to force a matrix update. If an order increase is about to be considered ( ialth = 1 ), ialth is reset to 2 to postpone consideration one more step. If the caller has changed meth, cfode is called to reset the coefficients of the method. If h is to be changed, yh must be rescaled. If h or meth is being changed, ialth is reset to l = nq + 1 to prevent further changes in h for that many steps. */ if (jstart == -1) { ipup = miter; lmax = maxord + 1; if (ialth == 1) ialth = 2; if (meth != mused) { cfode(meth); ialth = l; resetcoeff(); } if (h != hold) { rh = h / hold; h = hold; scaleh(&rh, &pdh); } } /* if ( jstart == -1 ) */ if (jstart == -2) { if (h != hold) { rh = h / hold; h = hold; scaleh(&rh, &pdh); } } /* if ( jstart == -2 ) */ /* Prediction. This section computes the predicted values by effectively multiplying the yh array by the pascal triangle matrix. rc is the ratio of new to old values of the coefficient h * el[1]. When rc differs from 1 by more than ccmax, ipup is set to miter to force pjac to be called, if a jacobian is involved. In any case, prja is called at least every msbp steps. */ while (true) { while (true) { if (fabs(rc - 1.) > ccmax) ipup = miter; if (nst >= nslp + msbp) ipup = miter; tn += h; for (j = nq; j >= 1; j--) for (i1 = j; i1 <= nq; i1++) { yp1 = yh[i1]; yp2 = yh[i1 + 1]; for (i = 1; i <= n; i++) yp1[i] += yp2[i]; } pnorm = vmnorm(n, yh[1], ewt); correction(neq, y, &corflag, pnorm, &del, &delp, &told, &ncf, &rh, &m); if (corflag == 0) break; if (corflag == 1) { rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); continue; } if (corflag == 2) { kflag = -2; hold = h; jstart = 1; return; } } /* end inner while ( corrector loop ) */ /* The corrector has converged. jcur is set to 0 to signal that the Jacobian involved may need updating later. The local error test is done now. */ jcur = 0; double dsm(0.0); if (m == 0) dsm = del / tesco[nq][2]; if (m > 0) dsm = vmnorm(n, acor, ewt) / tesco[nq][2]; if (dsm <= 1.) { /* After a successful step, update the yh array. Decrease icount by 1, and if it is -1, consider switching methods. If a method switch is made, reset various parameters, rescale the yh array, and exit. If there is no switch, consider changing h if ialth = 1. Otherwise decrease ialth by 1. If ialth is then 1 and nq < maxord, then acor is saved for use in a possible order increase on the next step. If a change in h is considered, an increase or decrease in order by one is considered also. A change in h is made only if it is by a factor of at least 1.1. If not, ialth is set to 3 to prevent testing for that many steps. */ kflag = 0; nst++; hu = h; nqu = nq; mused = meth; for (j = 1; j <= l; j++) { yp1 = yh[j]; r = el[j]; for (i = 1; i <= n; i++) yp1[i] += r * acor[i]; } icount--; if (icount < 0) { methodswitch(dsm, pnorm, &pdh, &rh); if (meth != mused) { rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); rmax = 10.; endstoda(); break; } } /* No method switch is being made. Do the usual step/order selection. */ ialth--; if (ialth == 0) { rhup = 0.; if (l != lmax) { yp1 = yh[lmax]; for (i = 1; i <= n; i++) savf[i] = acor[i] - yp1[i]; dup = vmnorm(n, savf, ewt) / tesco[nq][3]; exup = 1. / (double)(l + 1); rhup = 1. / (1.4 * pow(dup, exup) + 0.0000014); } orderswitch(&rhup, dsm, &pdh, &rh, &orderflag); /* No change in h or nq. */ if (orderflag == 0) { endstoda(); break; } /* h is changed, but not nq. */ if (orderflag == 1) { rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); rmax = 10.; endstoda(); break; } /* both nq and h are changed. */ if (orderflag == 2) { resetcoeff(); rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); rmax = 10.; endstoda(); break; } } /* end if ( ialth == 0 ) */ if (ialth > 1 || l == lmax) { endstoda(); break; } yp1 = yh[lmax]; for (i = 1; i <= n; i++) yp1[i] = acor[i]; endstoda(); break; } /* end if ( dsm <= 1. ) */ /* The error test failed. kflag keeps track of multiple failures. Restore tn and the yh array to their previous values, and prepare to try the step again. Compute the optimum step size for this or one lower. After 2 or more failures, h is forced to decrease by a factor of 0.2 or less. */ else { kflag--; tn = told; for (j = nq; j >= 1; j--) for (i1 = j; i1 <= nq; i1++) { yp1 = yh[i1]; yp2 = yh[i1 + 1]; for (i = 1; i <= n; i++) yp1[i] -= yp2[i]; } rmax = 2.; if (fabs(h) <= hmin * 1.00001) { kflag = -1; hold = h; jstart = 1; break; } if (kflag > -3) { rhup = 0.; orderswitch(&rhup, dsm, &pdh, &rh, &orderflag); if (orderflag == 1 || orderflag == 0) { if (orderflag == 0) rh = min(rh, 0.2); rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); } if (orderflag == 2) { resetcoeff(); rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); } continue; } /* if ( kflag > -3 ) */ /* Control reaches this section if 3 or more failures have occurred. If 10 failures have occurred, exit with kflag = -1. It is assumed that the derivatives that have accumulated in the yh array have errors of the wrong order. Hence the first derivative is recomputed, and the order is set to 1. Then h is reduced by a factor of 10, and the step is retried, until it succeeds or h reaches hmin. */ else { if (kflag == -10) { kflag = -1; hold = h; jstart = 1; break; } else { rh = 0.1; rh = max(hmin / fabs(h), rh); h *= rh; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; f(neq, tn, y, savf); nfe++; yp1 = yh[2]; for (i = 1; i <= n; i++) yp1[i] = h * savf[i]; ipup = miter; ialth = 5; if (nq == 1) continue; nq = 1; l = 2; resetcoeff(); continue; } } /* end else -- kflag <= -3 */ } /* end error failure handling */ } /* end outer while */ } /* end stoda */ void QTAIMLSODAIntegrator::ewset(int itol, double* rtol, double* atol, double* ycur) { int i; switch (itol) { case 1: for (i = 1; i <= n; i++) ewt[i] = rtol[1] * fabs(ycur[i]) + atol[1]; break; case 2: for (i = 1; i <= n; i++) ewt[i] = rtol[1] * fabs(ycur[i]) + atol[i]; break; case 3: for (i = 1; i <= n; i++) ewt[i] = rtol[i] * fabs(ycur[i]) + atol[1]; break; case 4: for (i = 1; i <= n; i++) ewt[i] = rtol[i] * fabs(ycur[i]) + atol[i]; break; } } /* end ewset */ void QTAIMLSODAIntegrator::intdy(double t, int k, double* dky, int* iflag) /* Intdy computes interpolated values of the k-th derivative of the dependent variable vector y, and stores it in dky. This routine is called within the package with k = 0 and *t = tout, but may also be called by the user for any k up to the current order. ( See detailed instructions in the usage documentation. ) The computed values in dky are gotten by interpolation using the Nordsieck history array yh. This array corresponds uniquely to a vector-valued polynomial of degree nqcur or less, and dky is set to the k-th derivative of this polynomial at t. The formula for dky is q dky[i] = sum c[k][j] * ( t - tn )^(j-k) * h^(-j) * yh[j+1][i] j=k where c[k][j] = j*(j-1)*...*(j-k+1), q = nqcur, tn = tcur, h = hcur. The quantities nq = nqcur, l = nq+1, n = neq, tn, and h are declared static globally. The above sum is done in reverse order. *iflag is returned negative if either k or t is out of bounds. */ { int i, ic, j, jj, jp1; double c, r, s, tp; *iflag = 0; if (k < 0 || k > nq) { qDebug("intdy -- k = %d illegal", k); *iflag = -1; return; } tp = tn - hu - 100. * ETA * (tn + hu); if ((t - tp) * (t - tn) > 0.) { qDebug("intdy -- t = %g illegal", t); qDebug(" t not in interval tcur - hu to tcur"); *iflag = -2; return; } s = (t - tn) / h; ic = 1; for (jj = l - k; jj <= nq; jj++) ic *= jj; c = (double)ic; yp1 = yh[l]; for (i = 1; i <= n; i++) dky[i] = c * yp1[i]; for (j = nq - 1; j >= k; j--) { jp1 = j + 1; ic = 1; for (jj = jp1 - k; jj <= j; jj++) ic *= jj; c = (double)ic; yp1 = yh[jp1]; for (i = 1; i <= n; i++) dky[i] = c * yp1[i] + s * dky[i]; } if (k == 0) return; r = pow(h, (double)(-k)); for (i = 1; i <= n; i++) dky[i] *= r; } /* end intdy */ void QTAIMLSODAIntegrator::cfode(int meth_) { int i, nq_, nqm1, nqp1; double agamq, fnq, fnqm1, pc[13], pint, ragq, rqfac, rq1fac, tsign, xpin; /* cfode is called by the integrator routine to set coefficients needed there. The coefficients for the current method, as given by the value of meth, are set for all orders and saved. The maximum order assumed here is 12 if meth = 1 and 5 if meth = 2. ( A smaller value of the maximum order is also allowed. ) cfode is called once at the beginning of the problem, and is not called again unless and until meth is changed. The elco array contains the basic method coefficients. The coefficients el[i], 1 < i < nq+1, for the method of order nq are stored in elco[nq][i]. They are given by a generating polynomial, i.e., l(x) = el[1] + el[2]*x + ... + el[nq+1]*x^nq. For the implicit Adams method, l(x) is given by dl/dx = (x+1)*(x+2)*...*(x+nq-1)/factorial(nq-1), l(-1) = 0. For the bdf methods, l(x) is given by l(x) = (x+1)*(x+2)*...*(x+nq)/k, where k = factorial(nq)*(1+1/2+...+1/nq). The tesco array contains test constants used for the local error test and the selection of step size and/or order. At order nq, tesco[nq][k] is used for the selection of step size at order nq-1 if k = 1, at order nq if k = 2, and at order nq+1 if k = 3. */ if (meth_ == 1) { elco[1][1] = 1.; elco[1][2] = 1.; tesco[1][1] = 0.; tesco[1][2] = 2.; tesco[2][1] = 1.; tesco[12][3] = 0.; pc[1] = 1.; rqfac = 1.; for (nq_ = 2; nq_ <= 12; nq_++) { /* The pc array will contain the coefficients of the polynomial p(x) = (x+1)*(x+2)*...*(x+nq-1). Initially, p(x) = 1. */ rq1fac = rqfac; rqfac = rqfac / (double)nq_; nqm1 = nq_ - 1; fnqm1 = (double)nqm1; nqp1 = nq_ + 1; /* Form coefficients of p(x)*(x+nq-1). */ pc[nq_] = 0.; for (i = nq_; i >= 2; i--) pc[i] = pc[i - 1] + fnqm1 * pc[i]; pc[1] = fnqm1 * pc[1]; /* Compute integral, -1 to 0, of p(x) and x*p(x). */ pint = pc[1]; xpin = pc[1] / 2.; tsign = 1.; for (i = 2; i <= nq_; i++) { tsign = -tsign; pint += tsign * pc[i] / (double)i; xpin += tsign * pc[i] / (double)(i + 1); } /* Store coefficients in elco and tesco. */ elco[nq_][1] = pint * rq1fac; elco[nq_][2] = 1.; for (i = 2; i <= nq_; i++) elco[nq_][i + 1] = rq1fac * pc[i] / (double)i; agamq = rqfac * xpin; ragq = 1. / agamq; tesco[nq_][2] = ragq; if (nq_ < 12) tesco[nqp1][1] = ragq * rqfac / (double)nqp1; tesco[nqm1][3] = ragq; } /* end for */ return; } /* end if ( meth == 1 ) */ /* meth = 2. */ pc[1] = 1.; rq1fac = 1.; /* The pc array will contain the coefficients of the polynomial p(x) = (x+1)*(x+2)*...*(x+nq). Initially, p(x) = 1. */ for (nq_ = 1; nq_ <= 5; nq_++) { fnq = (double)nq_; nqp1 = nq_ + 1; /* Form coefficients of p(x)*(x+nq). */ pc[nqp1] = 0.; for (i = nq_ + 1; i >= 2; i--) pc[i] = pc[i - 1] + fnq * pc[i]; pc[1] *= fnq; /* Store coefficients in elco and tesco. */ for (i = 1; i <= nqp1; i++) elco[nq_][i] = pc[i] / pc[2]; elco[nq_][2] = 1.; tesco[nq_][1] = rq1fac; tesco[nq_][2] = ((double)nqp1) / elco[nq_][1]; tesco[nq_][3] = ((double)(nq_ + 2)) / elco[nq_][1]; rq1fac /= fnq; } } /* end cfode */ void QTAIMLSODAIntegrator::scaleh(double* rh, double* pdh) { double r; int j, i; /* If h is being changed, the h ratio rh is checked against rmax, hmin, and hmxi, and the yh array is rescaled. ialth is set to l = nq + 1 to prevent a change of h for that many steps, unless forced by a convergence or error test failure. */ *rh = min(*rh, rmax); *rh = *rh / max(1., fabs(h) * hmxi * *rh); /* If meth = 1, also restrict the new step size by the stability region. If this reduces h, set irflag to 1 so that if there are roundoff problems later, we can assume that is the cause of the trouble. */ if (meth == 1) { irflag = 0; *pdh = max(fabs(h) * pdlast, 0.000001); if ((*rh * *pdh * 1.00001) >= sm1[nq]) { *rh = sm1[nq] / *pdh; irflag = 1; } } r = 1.; for (j = 2; j <= l; j++) { r *= *rh; yp1 = yh[j]; for (i = 1; i <= n; i++) yp1[i] *= r; } h *= *rh; rc *= *rh; ialth = l; } /* end scaleh */ void QTAIMLSODAIntegrator::prja(int neq, double* y) { int i, ier, j; double fac, hl0, r, r0, yj; /* prja is called by stoda to compute and process the matrix P = I - h * el[1] * J, where J is an approximation to the Jacobian. Here J is computed by finite differencing. J, scaled by -h * el[1], is stored in wm. Then the norm of J ( the matrix norm consistent with the weighted max-norm on vectors given by vmnorm ) is computed, and J is overwritten by P. P is then subjected to LU decomposition in preparation for later solution of linear systems with p as coefficient matrix. This is done by dgefa if miter = 2, and by dgbfa if miter = 5. */ nje++; ierpj = 0; jcur = 1; hl0 = h * el0; /* If miter = 2, make n calls to f to approximate J. */ if (miter != 2) { qDebug("prja -- miter != 2"); return; } if (miter == 2) { fac = vmnorm(n, savf, ewt); r0 = 1000. * fabs(h) * ETA * ((double)n) * fac; if (r0 == 0.) r0 = 1.; for (j = 1; j <= n; j++) { yj = y[j]; r = max(sqrteta * fabs(yj), r0 / ewt[j]); y[j] += r; fac = -hl0 / r; f(neq, tn, y, acor); for (i = 1; i <= n; i++) wm[i][j] = (acor[i] - savf[i]) * fac; y[j] = yj; } nfe += n; /* Compute norm of Jacobian. */ pdnorm = fnorm(n, wm, ewt) / fabs(hl0); /* Add identity matrix. */ for (i = 1; i <= n; i++) wm[i][i] += 1.; /* Do LU decomposition on P. */ dgefa(wm, n, ipvt, &ier); if (ier != 0) ierpj = 1; return; } } /* end prja */ double QTAIMLSODAIntegrator::vmnorm(int n_, double* v, double* w) /* This function routine computes the weighted max-norm of the vector of length n contained in the array v, with weights contained in the array w of length n. vmnorm = max( i = 1, ..., n ) fabs( v[i] ) * w[i]. */ { int i; double vm; vm = 0.; for (i = 1; i <= n_; i++) vm = max(vm, fabs(v[i]) * w[i]); return vm; } /* end vmnorm */ double QTAIMLSODAIntegrator::fnorm(int n_, double** a, double* w) /* This subroutine computes the norm of a full n by n matrix, stored in the array a, that is consistent with the weighted max-norm on vectors, with weights stored in the array w. fnorm = max(i=1,...,n) ( w[i] * sum(j=1,...,n) fabs( a[i][j] ) / w[j] ) */ { int i, j; double an, sum, *ap1; an = 0.; for (i = 1; i <= n_; i++) { sum = 0.; ap1 = a[i]; for (j = 1; j <= n_; j++) sum += fabs(ap1[j]) / w[j]; an = max(an, sum * w[i]); } return an; } /* end fnorm */ // double QTAIMLSODAIntegrator::bnorm() // { // } /* end bnorm */ void QTAIMLSODAIntegrator::correction(int neq, double* y, int* corflag, double pnorm, double* del, double* delp, double* told, int* ncf, double* rh, int* m) /* *corflag = 0 : corrector converged, 1 : step size to be reduced, redo prediction, 2 : corrector cannot converge, failure flag. */ { int i; double rm, rate, dcon; /* Up to maxcor corrector iterations are taken. A convergence test is made on the r.m.s. norm of each correction, weighted by the error weight vector ewt. The sum of the corrections is accumulated in the vector acor[i]. The yh array is not altered in the corrector loop. */ *m = 0; *corflag = 0; rate = 0.; *del = 0.; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; f(neq, tn, y, savf); nfe++; /* If indicated, the matrix P = I - h * el[1] * J is reevaluated and preprocessed before starting the corrector iteration. ipup is set to 0 as an indicator that this has been done. */ while (true) { if (*m == 0) { if (ipup > 0) { prja(neq, y); ipup = 0; rc = 1.; nslp = nst; crate = 0.7; if (ierpj != 0) { corfailure(told, rh, ncf, corflag); return; } } for (i = 1; i <= n; i++) acor[i] = 0.; } /* end if ( *m == 0 ) */ if (miter == 0) { /* In case of functional iteration, update y directly from the result of the last function evaluation. */ yp1 = yh[2]; for (i = 1; i <= n; i++) { savf[i] = h * savf[i] - yp1[i]; y[i] = savf[i] - acor[i]; } *del = vmnorm(n, y, ewt); yp1 = yh[1]; for (i = 1; i <= n; i++) { y[i] = yp1[i] + el[1] * savf[i]; acor[i] = savf[i]; } } /* end functional iteration */ /* In the case of the chord method, compute the corrector error, and solve the linear system with that as right-hand side and P as coefficient matrix. */ else { yp1 = yh[2]; for (i = 1; i <= n; i++) y[i] = h * savf[i] - (yp1[i] + acor[i]); solsy(y); *del = vmnorm(n, y, ewt); yp1 = yh[1]; for (i = 1; i <= n; i++) { acor[i] += y[i]; y[i] = yp1[i] + el[1] * acor[i]; } } /* end chord method */ /* Test for convergence. If *m > 0, an estimate of the convergence rate constant is stored in crate, and this is used in the test. We first check for a change of iterates that is the size of roundoff error. If this occurs, the iteration has converged, and a new rate estimate is not formed. In all other cases, force at least two iterations to estimate a local Lipschitz constant estimate for Adams method. On convergence, form pdest = local maximum Lipschitz constant estimate. pdlast is the most recent nonzero estimate. */ if (*del <= 100. * pnorm * ETA) break; if (*m != 0 || meth != 1) { if (*m != 0) { rm = 1024.0; if (*del <= (1024. * *delp)) rm = *del / *delp; rate = max(rate, rm); crate = max(0.2 * crate, rm); } dcon = *del * min(1., 1.5 * crate) / (tesco[nq][2] * conit); if (dcon <= 1.) { pdest = max(pdest, rate / fabs(h * el[1])); if (pdest != 0.) pdlast = pdest; break; } } /* The corrector iteration failed to converge. If miter != 0 and the Jacobian is out of date, prja is called for the next try. Otherwise the yh array is retracted to its values before prediction, and h is reduced, if possible. If h cannot be reduced or mxncf failures have occurred, exit with corflag = 2. */ (*m)++; if (*m == maxcor || (*m >= 2 && *del > 2. * *delp)) { if (miter == 0 || jcur == 1) { corfailure(told, rh, ncf, corflag); return; } ipup = miter; /* Restart corrector if Jacobian is recomputed. */ *m = 0; rate = 0.; *del = 0.; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; f(neq, tn, y, savf); nfe++; } /* Iterate corrector. */ else { *delp = *del; f(neq, tn, y, savf); nfe++; } } /* end while */ } /* end correction */ void QTAIMLSODAIntegrator::corfailure(double* told, double* rh, int* ncf, int* corflag) { int j, i1, i; (*ncf)++; rmax = 2.; tn = *told; for (j = nq; j >= 1; j--) for (i1 = j; i1 <= nq; i1++) { yp1 = yh[i1]; yp2 = yh[i1 + 1]; for (i = 1; i <= n; i++) yp1[i] -= yp2[i]; } if (fabs(h) <= hmin * 1.00001 || *ncf == mxncf) { *corflag = 2; return; } *corflag = 1; *rh = 0.25; ipup = miter; } /* end corfailure */ void QTAIMLSODAIntegrator::solsy(double* y) /* This routine manages the solution of the linear system arising from a chord iteration. It is called if miter != 0. If miter is 2, it calls dgesl to accomplish this. If miter is 5, it calls dgbsl. y = the right-hand side vector on input, and the solution vector on output. */ { iersl = 0; if (miter != 2) { qDebug("solsy -- miter != 2"); return; } if (miter == 2) dgesl(wm, n, ipvt, y, 0); } /* end solsy */ void QTAIMLSODAIntegrator::methodswitch(double dsm, double pnorm, double* pdh, double* rh) { int lm1, lm1p1, lm2, lm2p1, nqm1, nqm2; double rh1, rh2, rh1it, exm2, dm2, exm1, dm1, alpha, exsm; /* We are current using an Adams method. Consider switching to bdf. If the current order is greater than 5, assume the problem is not stiff, and skip this section. If the Lipschitz constant and error estimate are not polluted by roundoff, perform the usual test. Otherwise, switch to the bdf methods if the last step was restricted to insure stability ( irflag = 1 ), and stay with Adams method if not. When switching to bdf with polluted error estimates, in the absence of other information, double the step size. When the estimates are ok, we make the usual test by computing the step size we could have (ideally) used on this step, with the current (Adams) method, and also that for the bdf. If nq > mxords, we consider changing to order mxords on switching. Compare the two step sizes to decide whether to switch. The step size advantage must be at least ratio = 5 to switch. */ if (meth == 1) { if (nq > 5) return; if (dsm <= (100. * pnorm * ETA) || pdest == 0.) { if (irflag == 0) return; rh2 = 2.; nqm2 = min(nq, mxords); } else { exsm = 1. / (double)l; rh1 = 1. / (1.2 * pow(dsm, exsm) + 0.0000012); rh1it = 2. * rh1; *pdh = pdlast * fabs(h); if ((*pdh * rh1) > 0.00001) rh1it = sm1[nq] / *pdh; rh1 = min(rh1, rh1it); if (nq > mxords) { nqm2 = mxords; lm2 = mxords + 1; exm2 = 1. / (double)lm2; lm2p1 = lm2 + 1; dm2 = vmnorm(n, yh[lm2p1], ewt) / cm2[mxords]; rh2 = 1. / (1.2 * pow(dm2, exm2) + 0.0000012); } else { dm2 = dsm * (cm1[nq] / cm2[nq]); rh2 = 1. / (1.2 * pow(dm2, exsm) + 0.0000012); nqm2 = nq; } if (rh2 < ratio * rh1) return; } /* The method switch test passed. Reset relevant quantities for bdf. */ *rh = rh2; icount = 20; meth = 2; miter = jtyp; pdlast = 0.; nq = nqm2; l = nq + 1; return; } /* end if ( meth == 1 ) */ /* We are currently using a bdf method, considering switching to Adams. Compute the step size we could have (ideally) used on this step, with the current (bdf) method, and also that for the Adams. If nq > mxordn, we consider changing to order mxordn on switching. Compare the two step sizes to decide whether to switch. The step size advantage must be at least 5/ratio = 1 to switch. If the step size for Adams would be so small as to cause roundoff pollution, we stay with bdf. */ exsm = 1. / (double)l; if (mxordn < nq) { nqm1 = mxordn; lm1 = mxordn + 1; exm1 = 1. / (double)lm1; lm1p1 = lm1 + 1; dm1 = vmnorm(n, yh[lm1p1], ewt) / cm1[mxordn]; rh1 = 1. / (1.2 * pow(dm1, exm1) + 0.0000012); } else { dm1 = dsm * (cm2[nq] / cm1[nq]); rh1 = 1. / (1.2 * pow(dm1, exsm) + 0.0000012); nqm1 = nq; exm1 = exsm; } rh1it = 2. * rh1; *pdh = pdnorm * fabs(h); if ((*pdh * rh1) > 0.00001) rh1it = sm1[nqm1] / *pdh; rh1 = min(rh1, rh1it); rh2 = 1. / (1.2 * pow(dsm, exsm) + 0.0000012); if ((rh1 * ratio) < (5. * rh2)) return; alpha = max(0.001, rh1); dm1 *= pow(alpha, exm1); if (dm1 <= 1000. * ETA * pnorm) return; /* The switch test passed. Reset relevant quantities for Adams. */ *rh = rh1; icount = 20; meth = 1; miter = 0; pdlast = 0.; nq = nqm1; l = nq + 1; } /* end methodswitch */ /* This routine returns from stoda to lsoda. Hence freevectors() is not executed. */ void QTAIMLSODAIntegrator::endstoda() { double r; int i; r = 1. / tesco[nqu][2]; for (i = 1; i <= n; i++) acor[i] *= r; hold = h; jstart = 1; } /* end endstoda */ void QTAIMLSODAIntegrator::orderswitch(double* rhup, double dsm, double* pdh, double* rh, int* orderflag) /* Regardless of the success or failure of the step, factors rhdn, rhsm, and rhup are computed, by which h could be multiplied at order nq - 1, order nq, or order nq + 1, respectively. In the case of a failure, rhup = 0. to avoid an order increase. The largest of these is determined and the new order chosen accordingly. If the order is to be increased, we compute one additional scaled derivative. orderflag = 0 : no change in h or nq, 1 : change in h but not nq, 2 : change in both h and nq. */ { int newq, i; double exsm, rhdn, rhsm, ddn, exdn, r; *orderflag = 0; exsm = 1. / (double)l; rhsm = 1. / (1.2 * pow(dsm, exsm) + 0.0000012); rhdn = 0.; if (nq != 1) { ddn = vmnorm(n, yh[l], ewt) / tesco[nq][1]; exdn = 1. / (double)nq; rhdn = 1. / (1.3 * pow(ddn, exdn) + 0.0000013); } /* If meth = 1, limit rh according to the stability region also. */ if (meth == 1) { *pdh = max(fabs(h) * pdlast, 0.000001); if (l < lmax) *rhup = min(*rhup, sm1[l] / *pdh); rhsm = min(rhsm, sm1[nq] / *pdh); if (nq > 1) rhdn = min(rhdn, sm1[nq - 1] / *pdh); pdest = 0.; } if (rhsm >= *rhup) { if (rhsm >= rhdn) { newq = nq; *rh = rhsm; } else { newq = nq - 1; *rh = rhdn; if (kflag < 0 && *rh > 1.) *rh = 1.; } } else { if (*rhup <= rhdn) { newq = nq - 1; *rh = rhdn; if (kflag < 0 && *rh > 1.) *rh = 1.; } else { *rh = *rhup; if (*rh >= 1.1) { r = el[l] / (double)l; nq = l; l = nq + 1; yp1 = yh[l]; for (i = 1; i <= n; i++) yp1[i] = acor[i] * r; *orderflag = 2; return; } else { ialth = 3; return; } } } /* If meth = 1 and h is restricted by stability, bypass 10 percent test. */ if (meth == 1) { if ((*rh * *pdh * 1.00001) < sm1[newq]) if (kflag == 0 && *rh < 1.1) { ialth = 3; return; } } else { if (kflag == 0 && *rh < 1.1) { ialth = 3; return; } } if (kflag <= -2) *rh = min(*rh, 0.2); /* If there is a change of order, reset nq, l, and the coefficients. In any case h is reset according to rh and the yh array is rescaled. Then exit or redo the step. */ if (newq == nq) { *orderflag = 1; return; } nq = newq; l = nq + 1; *orderflag = 2; } /* end orderswitch */ void QTAIMLSODAIntegrator::resetcoeff() /* The el vector and related constants are reset whenever the order nq is changed, or at the start of the problem. */ { int i; double* ep1; ep1 = elco[nq]; for (i = 1; i <= l; i++) el[i] = ep1[i]; rc = rc * el[1] / el0; el0 = el[1]; conit = 0.5 / (double)(nq + 2); } /* end resetcoeff */ void QTAIMLSODAIntegrator::freevectors() { int i; for (i = 1; i <= m_lenyh; ++i) { free(yh[i]); } free(yh); for (i = 1; i <= m_nyh; ++i) { free(wm[i]); } free(wm); free(ewt); free(savf); free(acor); free(ipvt); } /* end freevectors */ } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimlsodaintegrator.h000066400000000000000000000113711516317240700310460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMLSODAINTEGRATOR_H #define QTAIMLSODAINTEGRATOR_H #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMLSODAIntegrator { public: enum { SteepestAscentPathInElectronDensity = 0, CMBPMinusThreeGradientInElectronDensity = 1, CMBPMinusOneGradientInElectronDensity = 2, CMBPPlusOneGradientInElectronDensity = 3, CMBPPlusThreeGradientInElectronDensity = 4, CMBPMinusThreeGradientInElectronDensityLaplacian = 5, CMBPMinusOneGradientInElectronDensityLaplacian = 6, CMBPPlusOneGradientInElectronDensityLaplacian = 7, CMBPPlusThreeGradientInElectronDensityLaplacian = 8 }; explicit QTAIMLSODAIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode); QVector3D integrate(QVector3D x0y0z0); qint64 status() const { return m_status; } const QList path() const { return m_path; } void setBetaSpheres(QList> betaSpheres) { m_betaSpheres = betaSpheres; } qint64 associatedSphere() const { return m_associatedSphere; } private: QTAIMWavefunctionEvaluator* m_eval; qint64 m_mode; qint64 m_status; QList m_path; QList> m_betaSpheres; qint64 m_associatedSphere; // LSODA integrator void f(int neq, double t, double* y, double* ydot); void daxpy(int n, double da, double* dx, int incx, double* dy, int incy); double ddot(int n, double* dx, int incx, double* dy, int incy); void dgefa(double** a, int n, int* ipvt, int* info); void dgesl(double** a, int n, int* ipvt, double* b, int job); void dscal(int n, double da, double* dx, int incx); int idamax(int n, double* dx, int incx); void terminate(int* istate); void terminate2(double* y, double* t); void successreturn(double* y, double* t, int itask, int ihit, double tcrit, int* istate); void lsoda(int neq, double* y, double* t, double tout, int itol, double* rtol, double* atol, int itask, int* istate, int iopt, int jt, int iwork1, int iwork2, int iwork5, int iwork6, int iwork7, int iwork8, int iwork9, double rwork1, double rwork5, double rwork6, double rwork7); void stoda(int neq, double* y); void ewset(int itol, double* rtol, double* atol, double* ycur); void intdy(double t, int k, double* dky, int* iflag); void cfode(int meth); void scaleh(double* rh, double* pdh); void prja(int neq, double* y); double vmnorm(int n, double* v, double* w); double fnorm(int n, double** a, double* w); // double bnorm(); void correction(int neq, double* y, int* corflag, double pnorm, double* del, double* delp, double* told, int* ncf, double* rh, int* m); void corfailure(double* told, double* rh, int* ncf, int* corflag); void solsy(double* y); void methodswitch(double dsm, double pnorm, double* pdh, double* rh); void endstoda(); void orderswitch(double* rhup, double dsm, double* pdh, double* rh, int* orderflag); void resetcoeff(); void freevectors(); /* newly added static variables */ int ml, mu, imxer; int mord[3]; double sqrteta, *yp1, *yp2; double sm1[13]; /* static variables for lsoda() */ double ccmax, el0, h, hmin, hmxi, hu, rc, tn; int illin, init, mxstep, mxhnil, nhnil, ntrep, nslast, nyh, ierpj, iersl, jcur, jstart, kflag, l, meth, miter, maxord, maxcor, msbp, mxncf, n, nq, nst, nfe, nje, nqu; double tsw, pdnorm; int ixpr, jtyp, mused, mxordn, mxords; /* no static variable for prja(), solsy() */ /* static variables for stoda() */ double conit, crate, el[14], elco[13][14], hold, rmax, tesco[13][4]; int ialth, ipup, lmax, meo, nslp; double pdest, pdlast, ratio, cm1[13], cm2[6]; int icount, irflag; /* static variable for block data */ int mesflg; /* static variables for various vectors and the Jacobian. */ double **yh, **wm, *ewt, *savf, *acor; int* ipvt; int m_lenyh; int m_nyh; }; } // namespace Avogadro::QtPlugins #endif // QTAIMLSODAINTEGRATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimmathutilities.cpp000066400000000000000000000173671516317240700311000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimmathutilities.h" #include #include #include namespace Avogadro::QtPlugins::QTAIMMathUtilities { Matrix eigenvaluesOfASymmetricThreeByThreeMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvalues(); } Matrix eigenvectorsOfASymmetricThreeByThreeMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvectors(); } Matrix eigenvaluesOfASymmetricFourByFourMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvalues(); } Matrix eigenvectorsOfASymmetricFourByFourMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvectors(); } qint64 signOfARealNumber(qreal x) { if (x > 0.) return 1; else if (x == 0.) return 0; else return -1; } qint64 signatureOfASymmetricThreeByThreeMatrix(const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); Matrix eigenvalues = eigensolver.eigenvalues(); return signOfARealNumber(eigenvalues(0)) + signOfARealNumber(eigenvalues(1)) + signOfARealNumber(eigenvalues(2)); } qreal ellipticityOfASymmetricThreeByThreeMatrix(const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); Matrix eigenvalues = eigensolver.eigenvalues(); return (eigenvalues(0) / eigenvalues(1)) - 1.0; } qreal distance(const Matrix& a, const Matrix& b) { return std::hypot(a(0) - b(0), a(1) - b(1), a(2) - b(2)); } Matrix sphericalToCartesian(const Matrix& rtp, const Matrix& x0y0z0) { qreal r = rtp(0); qreal theta = rtp(1); qreal phi = rtp(2); qreal x0 = x0y0z0(0); qreal y0 = x0y0z0(1); qreal z0 = x0y0z0(2); qreal costheta = cos(theta); qreal cosphi = cos(phi); qreal sintheta = sin(theta); qreal sinphi = sin(phi); Matrix xyz(r * cosphi * sintheta + x0, r * sintheta * sinphi + y0, r * costheta + z0); return xyz; } Matrix sphericalToCartesian(const Matrix& rtp) { Matrix x0y0z0(0., 0., 0.); return sphericalToCartesian(rtp, x0y0z0); } Matrix cartesianToSpherical(const Matrix& xyz, const Matrix& x0y0z0) { qreal x = xyz(0); qreal y = xyz(1); qreal z = xyz(2); qreal x0 = x0y0z0(0); qreal y0 = x0y0z0(1); qreal z0 = x0y0z0(2); qreal xshift = x - x0; qreal yshift = y - y0; qreal zshift = z - z0; qreal length = std::hypot(xshift, yshift, zshift); Matrix rtp; if (length == 0.) rtp << x0, y0, z0; else if (xshift == 0. && yshift == 0.) rtp << length, acos(zshift / length), 0.; else rtp << length, acos(zshift / length), atan2(xshift, yshift); return rtp; } Matrix cartesianToSpherical(const Matrix& xyz) { Matrix x0y0z0(0., 0., 0.); return cartesianToSpherical(xyz, x0y0z0); } // Cerjan-Miller-Baker-Popelier Methods // // Based on: // Popelier, P.L.A. Comput. Phys. Comm. 1996, 93, 212. Matrix minusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U.transpose() * g; Matrix A; A << b(0), 0., 0., F(0), 0., b(1), 0., F(1), 0., 0., b(2), F(2), F(0), F(1), F(2), 0.; Matrix eval = eigenvaluesOfASymmetricFourByFourMatrix(A); Matrix lambda; lambda << eval(3), eval(3), eval(3); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(j, i)) / denom(i); value = h; return value; } Matrix minusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U.transpose() * g; Matrix A; A << b(0), 0., F(0), 0., b(1), F(1), F(0), F(1), 0.; Matrix eval = eigenvaluesOfASymmetricThreeByThreeMatrix(A); Matrix lambda; lambda << eval(2), eval(2), (0.5) * (b(2) - std::hypot(b(2), 2 * F(2))); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(j, i)) / denom(i); value = h; return value; } Matrix plusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U * g; Matrix A; A << b(1), 0., F(1), 0., b(2), F(2), F(1), F(2), 0.; Matrix eval = eigenvaluesOfASymmetricThreeByThreeMatrix(A); Matrix lambda; lambda << eval(2), eval(2), (0.5) * (b(0) + std::hypot(b(0), 2.0 * F(0))); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(i, j)) / denom(i); value = h; return value; } Matrix plusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U * g; Matrix A; A << b(0), 0., 0., F(0), 0., b(1), 0., F(1), 0., 0., b(2), F(2), F(0), F(1), F(2), 0.; Matrix eval = eigenvaluesOfASymmetricFourByFourMatrix(A); Matrix lambda; lambda << eval(0), eval(0), eval(0); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(i, j)) / denom(i); value = h; return value; } } // namespace Avogadro::QtPlugins::QTAIMMathUtilities OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimmathutilities.h000066400000000000000000000050611516317240700305310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMMATHUTILITIES_H #define QTAIMMATHUTILITIES_H #include #include using namespace Eigen; namespace Avogadro::QtPlugins::QTAIMMathUtilities { Matrix eigenvaluesOfASymmetricThreeByThreeMatrix( const Matrix& A); Matrix eigenvectorsOfASymmetricThreeByThreeMatrix( const Matrix& A); Matrix eigenvaluesOfASymmetricFourByFourMatrix( const Matrix& A); Matrix eigenvectorsOfASymmetricFourByFourMatrix( const Matrix& A); qint64 signOfARealNumber(qreal x); qint64 signatureOfASymmetricThreeByThreeMatrix(const Matrix& A); qreal ellipticityOfASymmetricThreeByThreeMatrix(const Matrix& A); qreal distance(const Matrix& a, const Matrix& b); Matrix sphericalToCartesian(const Matrix& rtp, const Matrix& x0y0z0); Matrix sphericalToCartesian(const Matrix& rtp); Matrix cartesianToSpherical(const Matrix& xyz, const Matrix& x0y0z0); Matrix cartesianToSpherical(const Matrix& xyz); // Cerjan-Miller-Baker-Popelier Methods // A small number to prevent divide by zero in CMBP routines #define SMALL 1.e-10 Matrix minusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H); Matrix minusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H); Matrix plusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H); Matrix plusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H); } // namespace Avogadro::QtPlugins::QTAIMMathUtilities #endif // QTAIMMATHUTILITIES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimodeintegrator.cpp000066400000000000000000000763551516317240700310630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* Based on codes written by Herman Watts, Lawrence Shampine, and John Burkardt. */ #include "qtaimodeintegrator.h" #include "qtaimmathutilities.h" namespace Avogadro::QtPlugins { QTAIMODEIntegrator::QTAIMODEIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode) : m_eval(&eval), m_mode(mode), m_associatedSphere(0) { m_betaSpheres.clear(); } QVector3D QTAIMODEIntegrator::integrate(QVector3D x0y0z0) { qreal x0 = x0y0z0.x(); qreal y0 = x0y0z0.y(); qreal z0 = x0y0z0.z(); const qint64 NEQN = 3; abserr_save = -1.0; flag_save = -1000; h = -1.0; init = -1000; kflag = -1000; kop = -1; nfe = -1; relerr_save = -1.0; remin = 1.0e-12; qreal abserr; qint64 flag; qint64 i_step; qint64 n_step = 0; qreal relerr; qreal t; qreal t_out; qreal t_start; qreal t_stop; qreal y[3]; qreal yp[3]; switch (m_mode) { case SteepestAscentPathInElectronDensity: abserr = 1.e-5; // sqrt ( r8_epsilon ( ) ); relerr = 1.e10; // sqrt ( r8_epsilon ( ) ); t_start = 0.0; t_stop = 10.0; n_step = t_stop * 20; break; case CMBPMinusThreeGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 1000; break; case CMBPMinusOneGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 100; break; case CMBPPlusOneGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPPlusThreeGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPMinusThreeGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPMinusOneGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPPlusOneGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPPlusThreeGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; default: qDebug() << "Catastrophic: No ODE parameters for this property."; break; } y[0] = x0; y[1] = y0; y[2] = z0; m_path.clear(); m_path.append(QVector3D(y[0], y[1], y[2])); flag = 1; for (i_step = 1; i_step <= n_step; i_step++) { t = ((qreal)(n_step - i_step + 1) * t_start + (qreal)(i_step - 1) * t_stop) / (qreal)(n_step); t_out = ((qreal)(n_step - i_step) * t_start + (qreal)(i_step)*t_stop) / (qreal)(n_step); flag = QTAIMODEIntegrator::r8_rkf45(NEQN, y, yp, &t, t_out, &relerr, abserr, flag); m_status = flag; m_path.append(QVector3D(y[0], y[1], y[2])); if (flag == 7) { flag = 2; m_status = flag; } if (flag != 2) { m_status = flag; return QVector3D(y[0], y[1], y[2]); } if (m_betaSpheres.length() > 0) { for (qint64 n = 0; n < m_betaSpheres.length(); ++n) { Matrix a(y[0], y[1], y[2]); Matrix b(m_betaSpheres.at(n).first.x(), m_betaSpheres.at(n).first.y(), m_betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < m_betaSpheres.at(n).second) { m_status = 0; m_associatedSphere = n; return QVector3D(m_betaSpheres.at(n).first.x(), m_betaSpheres.at(n).first.y(), m_betaSpheres.at(n).first.z()); } } } // beta spheres } // ODE step return QVector3D(y[0], y[1], y[2]); } void QTAIMODEIntegrator::r8_f(qreal t, qreal y[], qreal yp[]) { t = t; // suppress warning Matrix gradient; Matrix gH; Matrix g; Matrix H; Matrix xyz; xyz << y[0], y[1], y[2]; if (m_mode == SteepestAscentPathInElectronDensity) { g = m_eval->gradientOfElectronDensity(xyz); } else { if (m_mode == 1 || m_mode == 2 || m_mode == 3 || m_mode == 4) { gH = m_eval->gradientAndHessianOfElectronDensity(xyz); } else { gH = m_eval->gradientAndHessianOfElectronDensityLaplacian(xyz); } g(0) = gH(0, 0); g(1) = gH(1, 0); g(2) = gH(2, 0); H(0, 0) = gH(0, 1); H(1, 0) = gH(1, 1); H(2, 0) = gH(2, 1); H(0, 1) = gH(0, 2); H(1, 1) = gH(1, 2); H(2, 1) = gH(2, 2); H(0, 2) = gH(0, 3); H(1, 2) = gH(1, 3); H(2, 2) = gH(2, 3); } switch (m_mode) { case SteepestAscentPathInElectronDensity: gradient = g; break; case CMBPMinusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; default: qDebug() << "Catastrophic: No ODE parameters for this property."; break; } qreal normGradient = std::hypot(gradient(0), gradient(1), gradient(2)); yp[0] = gradient(0) / normGradient; yp[1] = gradient(1) / normGradient; yp[2] = gradient(2) / normGradient; } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_abs(qreal x) //****************************************************************************80 // // Purpose: // // R8_ABS returns the absolute value of an R8. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 02 April 2005 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, the quantity whose absolute value is desired. // // Output, qreal R8_ABS, the absolute value of X. // { if (0.0 <= x) { return x; } else { return (-x); } } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_epsilon() //****************************************************************************80 // // Purpose: // // R8_EPSILON returns the R8 round off unit. // // Discussion: // // R8_EPSILON is a number R which is a power of 2 with the property that, // to the precision of the computer's arithmetic, // 1 < 1 + R // but // 1 = ( 1 + R / 2 ) // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 06 May 2003 // // Author: // // John Burkardt // // Parameters: // // Output, qreal R8_EPSILON, the R8 round-off unit. // { qreal r = 1.0; while (1.0 < (qreal)(1.0 + r)) { r = r / 2.0; } return (2.0 * r); } //****************************************************************************80 void QTAIMODEIntegrator::r8_fehl(qint64 neqn, qreal y[], qreal t, qreal h_, qreal yp[], qreal f1[], qreal f2[], qreal f3[], qreal f4[], qreal f5[], qreal s[]) //****************************************************************************80 // // Purpose: // // R8_FEHL takes one Fehlberg fourth-fifth order step. // // Discussion: // // This version of the routine uses qreal real arithmetic. // // This routine integrates a system of NEQN first order ordinary differential // equations of the form // dY(i)/dT = F(T,Y(1:NEQN)) // where the initial values Y and the initial derivatives // YP are specified at the starting point T. // // The routine advances the solution over the fixed step H and returns // the fifth order (sixth order accurate locally) solution // approximation at T+H in array S. // // The formulas have been grouped to control loss of significance. // The routine should be called with an H not smaller than 13 units of // roundoff in T so that the various independent arguments can be // distinguished. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 27 March 2004 // // Author: // // Original FORTRAN77 version by Herman Watts, Lawrence Shampine. // C++ version by John Burkardt. // // Reference: // // Erwin Fehlberg, // Low-order Classical Runge-Kutta Formulas with Stepsize Control, // NASA Technical Report R-315, 1969. // // Lawrence Shampine, Herman Watts, S Davenport, // Solving Non-stiff Ordinary Differential Equations - The State of the Art, // SIAM Review, // Volume 18, pages 376-411, 1976. // // Parameters: // // Input, external F, a user-supplied subroutine to evaluate the // derivatives Y'(T), of the form: // // void f ( qreal t, qreal y[], qreal yp[] ) // // Input, qint64 NEQN, the number of equations to be integrated. // // Input, qreal Y[NEQN], the current value of the dependent variable. // // Input, qreal T, the current value of the independent variable. // // Input, qreal H, the step size to take. // // Input, qreal YP[NEQN], the current value of the derivative of the // dependent variable. // // Output, qreal F1[NEQN], F2[NEQN], F3[NEQN], F4[NEQN], F5[NEQN], derivative // values needed for the computation. // // Output, qreal S[NEQN], the estimate of the solution at T+H. // { qreal ch = h_ / 4.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * yp[i]; } QTAIMODEIntegrator::r8_f(t + ch, f5, f1); ch = 3.0 * h_ / 32.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * (yp[i] + 3.0 * f1[i]); } QTAIMODEIntegrator::r8_f(t + 3.0 * h_ / 8.0, f5, f2); ch = h_ / 2197.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * (1932.0 * yp[i] + (7296.0 * f2[i] - 7200.0 * f1[i])); } QTAIMODEIntegrator::r8_f(t + 12.0 * h_ / 13.0, f5, f3); ch = h_ / 4104.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * ((8341.0 * yp[i] - 845.0 * f3[i]) + (29440.0 * f2[i] - 32832.0 * f1[i])); } QTAIMODEIntegrator::r8_f(t + h_, f5, f4); ch = h_ / 20520.0; for (qint64 i = 0; i < neqn; i++) { f1[i] = y[i] + ch * ((-6080.0 * yp[i] + (9295.0 * f3[i] - 5643.0 * f4[i])) + (41040.0 * f1[i] - 28352.0 * f2[i])); } QTAIMODEIntegrator::r8_f(t + h_ / 2.0, f1, f5); // // Ready to compute the approximate solution at T+H. // ch = h_ / 7618050.0; for (qint64 i = 0; i < neqn; i++) { s[i] = y[i] + ch * ((902880.0 * yp[i] + (3855735.0 * f3[i] - 1371249.0 * f4[i])) + (3953664.0 * f2[i] + 277020.0 * f5[i])); } } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_max(qreal x, qreal y) //****************************************************************************80 // // Purpose: // // R8_MAX returns the maximum of two R8's. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 10 January 2002 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, Y, the quantities to compare. // // Output, qreal R8_MAX, the maximum of X and Y. // { if (y < x) { return x; } else { return y; } } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_min(qreal x, qreal y) //****************************************************************************80 // // Purpose: // // R8_MIN returns the minimum of two R8's. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 09 May 2003 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, Y, the quantities to compare. // // Output, qreal R8_MIN, the minimum of X and Y. // { if (y < x) { return y; } else { return x; } } //****************************************************************************80 qint64 QTAIMODEIntegrator::r8_rkf45(qint64 neqn, qreal y[], qreal yp[], qreal* t, qreal tout, qreal* relerr, qreal abserr, qint64 flag) //****************************************************************************80 // // Purpose: // // R8_RKF45 carries out the Runge-Kutta-Fehlberg method. // // Discussion: // // This version of the routine uses qreal real arithmetic. // // This routine is primarily designed to solve non-stiff and mildly stiff // differential equations when derivative evaluations are inexpensive. // It should generally not be used when the user is demanding // high accuracy. // // This routine integrates a system of NEQN first-order ordinary differential // equations of the form: // // dY(i)/dT = F(T,Y(1),Y(2),...,Y(NEQN)) // // where the Y(1:NEQN) are given at T. // // Typically the subroutine is used to integrate from T to TOUT but it // can be used as a one-step integrator to advance the solution a // single step in the direction of TOUT. On return, the parameters in // the call list are set for continuing the integration. The user has // only to call again (and perhaps define a new value for TOUT). // // Before the first call, the user must // // * supply the subroutine F(T,Y,YP) to evaluate the right hand side; // and declare F in an EXTERNAL statement; // // * initialize the parameters: // NEQN, Y(1:NEQN), T, TOUT, RELERR, ABSERR, FLAG. // In particular, T should initially be the starting point for integration, // Y should be the value of the initial conditions, and FLAG should // normally be +1. // // Normally, the user only sets the value of FLAG before the first call, and // thereafter, the program manages the value. On the first call, FLAG should // normally be +1 (or -1 for single step mode.) On normal return, FLAG will // have been reset by the program to the value of 2 (or -2 in single // step mode), and the user can continue to call the routine with that // value of FLAG. // // (When the input magnitude of FLAG is 1, this indicates to the program // that it is necessary to do some initialization work. An input magnitude // of 2 lets the program know that initialization can be skipped, // and that useful information was computed earlier.) // // The routine returns with all the information needed to continue // the integration. If the integration reached TOUT, the user need only // define a new TOUT and call again. In the one-step integrator // mode, returning with FLAG = -2, the user must keep in mind that // each step taken is in the direction of the current TOUT. Upon // reaching TOUT, indicated by the output value of FLAG switching to 2, // the user must define a new TOUT and reset FLAG to -2 to continue // in the one-step integrator mode. // // In some cases, an error or difficulty occurs during a call. In that case, // the output value of FLAG is used to indicate that there is a problem // that the user must address. These values include: // // * 3, integration was not completed because the input value of RELERR, the // relative error tolerance, was too small. RELERR has been increased // appropriately for continuing. If the user accepts the output value of // RELERR, then simply reset FLAG to 2 and continue. // // * 4, integration was not completed because more than MAXNFE derivative // evaluations were needed. This is approximately (MAXNFE/6) steps. // The user may continue by simply calling again. The function counter // will be reset to 0, and another MAXNFE function evaluations are allowed. // // * 5, integration was not completed because the solution vanished, // making a pure relative error test impossible. The user must use // a non-zero ABSERR to continue. Using the one-step integration mode // for one step is a good way to proceed. // // * 6, integration was not completed because the requested accuracy // could not be achieved, even using the smallest allowable stepsize. // The user must increase the error tolerances ABSERR or RELERR before // continuing. It is also necessary to reset FLAG to 2 (or -2 when // the one-step integration mode is being used). The occurrence of // FLAG = 6 indicates a trouble spot. The solution is changing // rapidly, or a singularity may be present. It often is inadvisable // to continue. // // * 7, it is likely that this routine is inefficient for solving // this problem. Too much output is restricting the natural stepsize // choice. The user should use the one-step integration mode with // the stepsize determined by the code. If the user insists upon // continuing the integration, reset FLAG to 2 before calling // again. Otherwise, execution will be terminated. // // * 8, invalid input parameters, indicates one of the following: // NEQN <= 0; // T = TOUT and |FLAG| /= 1; // RELERR < 0 or ABSERR < 0; // FLAG == 0 or FLAG < -2 or 8 < FLAG. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 27 March 2004 // // Author: // // Original FORTRAN77 version by Herman Watts, Lawrence Shampine. // C++ version by John Burkardt. // // Reference: // // Erwin Fehlberg, // Low-order Classical Runge-Kutta Formulas with Stepsize Control, // NASA Technical Report R-315, 1969. // // Lawrence Shampine, Herman Watts, S Davenport, // Solving Non-stiff Ordinary Differential Equations - The State of the Art, // SIAM Review, // Volume 18, pages 376-411, 1976. // // Parameters: // // Input, external F, a user-supplied subroutine to evaluate the // derivatives Y'(T), of the form: // // void f ( qreal t, qreal y[], qreal yp[] ) // // Input, qint64 NEQN, the number of equations to be integrated. // // Input/output, qreal Y[NEQN], the current solution vector at T. // // Input/output, qreal YP[NEQN], the derivative of the current solution // vector at T. The user should not set or alter this information! // // Input/output, qreal *T, the current value of the independent variable. // // Input, qreal TOUT, the output point at which solution is desired. // TOUT = T is allowed on the first call only, in which case the routine // returns with FLAG = 2 if continuation is possible. // // Input, qreal *RELERR, ABSERR, the relative and absolute error tolerances // for the local error test. At each step the code requires: // abs ( local error ) <= RELERR * abs ( Y ) + ABSERR // for each component of the local error and the solution vector Y. // RELERR cannot be "too small". If the routine believes RELERR has been // set too small, it will reset RELERR to an acceptable value and return // immediately for user action. // // Input, qint64 FLAG, indicator for status of integration. On the first // call, // set FLAG to +1 for normal use, or to -1 for single step mode. On // subsequent continuation steps, FLAG should be +2, or -2 for single // step mode. // // Output, qint64 RKF45_D, indicator for status of integration. A value of 2 // or -2 indicates normal progress, while any other value indicates a // problem that should be addressed. // { // ECB: originally 3000 #define MAXNFE 1000 qreal ae; qreal dt; qreal ee; qreal eeoet; qreal eps; qreal esttol; qreal et; qreal* f1; qreal* f2; qreal* f3; qreal* f4; qreal* f5; bool hfaild; qreal hmin; qint64 i; qint64 k; qint64 mflag; bool output; qreal relerr_min; qreal s; qreal scale; qreal tol; qreal toln; qreal ypk; // // Check the input parameters. // eps = r8_epsilon(); if (neqn < 1) { return 8; } if ((*relerr) < 0.0) { return 8; } if (abserr < 0.0) { return 8; } if (flag == 0 || 8 < flag || flag < -2) { return 8; } mflag = (qint64)abs((long)flag); // // Is this a continuation call? // if (mflag != 1) { if (*t == tout && kflag != 3) { return 8; } // // FLAG = -2 or +2: // if (mflag == 2) { if (kflag == 3) { flag = flag_save; mflag = (qint64)abs((long)flag); } else if (init == 0) { flag = flag_save; } else if (kflag == 4) { nfe = 0; } else if (kflag == 5 && abserr == 0.0) { // error } else if (kflag == 6 && (*relerr) <= relerr_save && abserr <= abserr_save) { // error } } // // FLAG = 3, 4, 5, 6, 7 or 8. // else { if (flag == 3) { flag = flag_save; if (kflag == 3) { mflag = (qint64)abs((long)flag); } } else if (flag == 4) { nfe = 0; flag = flag_save; if (kflag == 3) { mflag = (qint64)abs((long)flag); } } else if (flag == 5 && 0.0 < abserr) { flag = flag_save; if (kflag == 3) { mflag = (qint64)abs((long)flag); } } // // Integration cannot be continued because the user did not respond to // the instructions pertaining to FLAG = 5, 6, 7 or 8. // else { // error } } } // // Save the input value of FLAG. // Set the continuation flag KFLAG for subsequent input checking. // flag_save = flag; kflag = 0; // // Save RELERR and ABSERR for checking input on subsequent calls. // relerr_save = (*relerr); abserr_save = abserr; // // Restrict the relative error tolerance to be at least // // 2*EPS+REMIN // // to avoid limiting precision difficulties arising from impossible // accuracy requests. // relerr_min = 2.0 * r8_epsilon() + remin; // // Is the relative error tolerance too small? // if ((*relerr) < relerr_min) { (*relerr) = relerr_min; kflag = 3; return 3; } dt = tout - *t; // // Initialization: // // Set the initialization completion indicator, INIT; // set the indicator for too many output points, KOP; // evaluate the initial derivatives // set the counter for function evaluations, NFE; // estimate the starting stepsize. // f1 = new qreal[neqn]; f2 = new qreal[neqn]; f3 = new qreal[neqn]; f4 = new qreal[neqn]; f5 = new qreal[neqn]; if (mflag == 1) { init = 0; kop = 0; QTAIMODEIntegrator::r8_f(*t, y, yp); nfe = 1; if (*t == tout) { return 2; } } if (init == 0) { init = 1; h = r8_abs(dt); toln = 0.0; for (k = 0; k < neqn; k++) { tol = (*relerr) * r8_abs(y[k]) + abserr; if (0.0 < tol) { toln = tol; ypk = r8_abs(yp[k]); if (tol < ypk * pow(h, 5)) { h = pow((tol / ypk), 0.2); } } } if (toln <= 0.0) { h = 0.0; } h = r8_max(h, 26.0 * eps * r8_max(r8_abs(*t), r8_abs(dt))); if (flag < 0) { flag_save = -2; } else { flag_save = 2; } } // // Set stepsize for integration in the direction from T to TOUT. // h = r8_sign(dt) * r8_abs(h); // // Test to see if too may output points are being requested. // if (2.0 * r8_abs(dt) <= r8_abs(h)) { kop = kop + 1; } // // Unnecessary frequency of output. // if (kop == 100) { kop = 0; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 7; } // // If we are too close to the output point, then simply extrapolate and // return. // if (r8_abs(dt) <= 26.0 * eps * r8_abs(*t)) { *t = tout; for (i = 0; i < neqn; i++) { y[i] = y[i] + dt * yp[i]; } QTAIMODEIntegrator::r8_f(*t, y, yp); nfe = nfe + 1; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 2; } // // Initialize the output point indicator. // output = false; // // To avoid premature underflow in the error tolerance function, // scale the error tolerances. // scale = 2.0 / (*relerr); ae = scale * abserr; // // Step by step integration. // for (;;) { hfaild = false; // // Set the smallest allowable stepsize. // hmin = 26.0 * eps * r8_abs(*t); // // Adjust the stepsize if necessary to hit the output point. // // Look ahead two steps to avoid drastic changes in the stepsize and // thus lessen the impact of output points on the code. // dt = tout - *t; if (2.0 * r8_abs(h) <= r8_abs(dt)) { } else // // Will the next successful step complete the integration to the output // point? // { if (r8_abs(dt) <= r8_abs(h)) { output = true; h = dt; } else { h = 0.5 * dt; } } // // Here begins the core integrator for taking a single step. // // The tolerances have been scaled to avoid premature underflow in // computing the error tolerance function ET. // To avoid problems with zero crossings, relative error is measured // using the average of the magnitudes of the solution at the // beginning and end of a step. // The error estimate formula has been grouped to control loss of // significance. // // To distinguish the various arguments, H is not permitted // to become smaller than 26 units of roundoff in T. // Practical limits on the change in the stepsize are enforced to // smooth the stepsize selection process and to avoid excessive // chattering on problems having discontinuities. // To prevent unnecessary failures, the code uses 9/10 the stepsize // it estimates will succeed. // // After a step failure, the stepsize is not allowed to increase for // the next attempted step. This makes the code more efficient on // problems having discontinuities and more effective in general // since local extrapolation is being used and extra caution seems // warranted. // // Test the number of derivative function evaluations. // If okay, try to advance the integration from T to T+H. // for (;;) { // // Have we done too much work? // if (MAXNFE < nfe) { kflag = 4; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 4; } // // Advance an approximate solution over one step of length H. // r8_fehl(neqn, y, *t, h, yp, f1, f2, f3, f4, f5, f1); nfe = nfe + 5; // // Compute and test allowable tolerances versus local error estimates // and remove scaling of tolerances. The relative error is // measured with respect to the average of the magnitudes of the // solution at the beginning and end of the step. // eeoet = 0.0; for (k = 0; k < neqn; k++) { et = r8_abs(y[k]) + r8_abs(f1[k]) + ae; if (et <= 0.0) { delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 5; } ee = r8_abs((-2090.0 * yp[k] + (21970.0 * f3[k] - 15048.0 * f4[k])) + (22528.0 * f2[k] - 27360.0 * f5[k])); eeoet = r8_max(eeoet, ee / et); } esttol = r8_abs(h) * eeoet * scale / 752400.0; if (esttol <= 1.0) { break; } // // Unsuccessful step. Reduce the stepsize, try again. // The decrease is limited to a factor of 1/10. // hfaild = true; output = false; if (esttol < 59049.0) { s = 0.9 / pow(esttol, 0.2); } else { s = 0.1; } h = s * h; if (r8_abs(h) < hmin) { kflag = 6; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 6; } } // // We exited the loop because we took a successful step. // Store the solution for T+H, and evaluate the derivative there. // *t = *t + h; for (i = 0; i < neqn; i++) { y[i] = f1[i]; } QTAIMODEIntegrator::r8_f(*t, y, yp); nfe = nfe + 1; // // Choose the next stepsize. The increase is limited to a factor of 5. // If the step failed, the next stepsize is not allowed to increase. // if (0.0001889568 < esttol) { s = 0.9 / pow(esttol, 0.2); } else { s = 5.0; } if (hfaild) { s = r8_min(s, 1.0); } h = r8_sign(h) * r8_max(s * r8_abs(h), hmin); // // End of core integrator // // Should we take another step? // if (output) { *t = tout; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 2; } if (flag <= 0) { delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return (-2); } } #undef MAXNFE } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_sign(qreal x) //****************************************************************************80 // // Purpose: // // R8_SIGN returns the sign of an R8. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 27 March 2004 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, the number whose sign is desired. // // Output, qreal R8_SIGN, the sign of X. // { if (x < 0.0) { return (-1.0); } else { return (+1.0); } } //****************************************************************************80 } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimodeintegrator.h000066400000000000000000000052511516317240700305130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMODEINTEGRATOR_H #define QTAIMODEINTEGRATOR_H #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMODEIntegrator { public: enum { SteepestAscentPathInElectronDensity = 0, CMBPMinusThreeGradientInElectronDensity = 1, CMBPMinusOneGradientInElectronDensity = 2, CMBPPlusOneGradientInElectronDensity = 3, CMBPPlusThreeGradientInElectronDensity = 4, CMBPMinusThreeGradientInElectronDensityLaplacian = 5, CMBPMinusOneGradientInElectronDensityLaplacian = 6, CMBPPlusOneGradientInElectronDensityLaplacian = 7, CMBPPlusThreeGradientInElectronDensityLaplacian = 8 }; explicit QTAIMODEIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode); QVector3D integrate(QVector3D x0y0z0); qint64 status() const { return m_status; } const QList path() const { return m_path; } void setBetaSpheres(QList> betaSpheres) { m_betaSpheres = betaSpheres; } qint64 associatedSphere() const { return m_associatedSphere; } private: QTAIMWavefunctionEvaluator* m_eval; qint64 m_mode; qint64 m_status; QList m_path; QList> m_betaSpheres; qint64 m_associatedSphere; // ODE integrator qreal r8_abs(qreal x); qreal r8_epsilon(); void r8_fehl(qint64 neqn, qreal y[], qreal t, qreal h, qreal yp[], qreal f1[], qreal f2[], qreal f3[], qreal f4[], qreal f5[], qreal s[]); qreal r8_max(qreal x, qreal y); qreal r8_min(qreal x, qreal y); qint64 r8_rkf45(qint64 neqn, qreal y[], qreal yp[], qreal* t, qreal tout, qreal* relerr, qreal abserr, qint64 flag); qreal r8_sign(qreal x); void r8_f(qreal t, qreal y[], qreal yp[]); qreal abserr_save; qint64 flag_save; qreal h; qint64 init; qint64 kflag; qint64 kop; qint64 nfe; qreal relerr_save; qreal remin; }; } // namespace Avogadro::QtPlugins #endif // QTAIMODEINTEGRATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimsettingswidget.ui000066400000000000000000000114101516317240700310710ustar00rootroot00000000000000 QTAIMSettingsWidget 0 0 307 285 Critical Point Radius: 5 65 10 25 Qt::Horizontal QSlider::TicksBothSides Bond Path Radius: 1 6 1 2 Qt::Horizontal QSlider::TicksBothSides 2 0 20 1 2 20 20 Qt::Horizontal false QSlider::TicksBothSides 4 0 0 0 0 0 Covalent Constant Size Qt::Horizontal Qt::Horizontal Opacity: Qt::Vertical 20 40 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimwavefunction.cpp000066400000000000000000000463401516317240700307140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimwavefunction.h" #include #include #include #include #include namespace Avogadro::QtPlugins { QTAIMWavefunction::QTAIMWavefunction() : m_initializationSuccessful(false) {} bool QTAIMWavefunction::initializeWithWFNFile(const QString& fileName) { m_initializationSuccessful = false; QFile file(fileName); bool fileExists = file.exists(); if (!(fileExists)) { m_initializationSuccessful = false; m_fileDoesNotExist = true; return m_initializationSuccessful; } else { m_fileDoesNotExist = false; } bool success = file.open(QIODevice::ReadOnly | QIODevice::Text); if (!(success)) { m_initializationSuccessful = false; m_ioError = true; return m_initializationSuccessful; } else { m_ioError = false; } m_fileName = fileName; QTextStream in(&file); QString fileContents = in.readAll(); file.close(); QStringList fileContentsByLine(fileContents.split("\n")); // Title/Comment m_comment = fileContentsByLine.first(); fileContentsByLine.removeFirst(); m_numberOfMolecularOrbitals = fileContentsByLine.first().mid(8, 15).toLongLong(); m_numberOfGaussianPrimitives = fileContentsByLine.first().mid(36, 8).toLongLong(); ; m_numberOfNuclei = fileContentsByLine.first().mid(54, 10).toLongLong(); ; fileContentsByLine.removeFirst(); // Maximum Number of Nuclei Due to Fixed Format if (m_numberOfNuclei > 999) { m_initializationSuccessful = false; m_tooManyNuclei = true; return m_initializationSuccessful; } else { m_tooManyNuclei = false; } m_xNuclearCoordinates.resize(m_numberOfNuclei); m_yNuclearCoordinates.resize(m_numberOfNuclei); m_zNuclearCoordinates.resize(m_numberOfNuclei); m_nuclearCharges.resize(m_numberOfNuclei); for (qint64 i = 0; i < m_numberOfNuclei; ++i) { m_xNuclearCoordinates[i] = fileContentsByLine.first().mid(24, 13).toDouble(); m_yNuclearCoordinates[i] = fileContentsByLine.first().mid(36, 12).toDouble(); m_zNuclearCoordinates[i] = fileContentsByLine.first().mid(48, 12).toDouble(); m_nuclearCharges[i] = fileContentsByLine.first().mid(70, 3).toLongLong(); fileContentsByLine.removeFirst(); } QList centerAssignmentsList; while (fileContentsByLine.first().startsWith("CENTRE ASSIGNMENTS")) { QString line(fileContentsByLine.first().mid(20, -1)); qint64 counter = 0; while (counter < line.length()) { centerAssignmentsList.append(line.mid(counter, 3).toLongLong()); counter = counter + 3; } fileContentsByLine.removeFirst(); } m_xGaussianPrimitiveCenterCoordinates.resize(m_numberOfGaussianPrimitives); m_yGaussianPrimitiveCenterCoordinates.resize(m_numberOfGaussianPrimitives); m_zGaussianPrimitiveCenterCoordinates.resize(m_numberOfGaussianPrimitives); for (qint64 i = 0; i < m_numberOfGaussianPrimitives; ++i) { m_xGaussianPrimitiveCenterCoordinates[i] = m_xNuclearCoordinates[centerAssignmentsList.at(i) - 1]; m_yGaussianPrimitiveCenterCoordinates[i] = m_yNuclearCoordinates[centerAssignmentsList.at(i) - 1]; m_zGaussianPrimitiveCenterCoordinates[i] = m_zNuclearCoordinates[centerAssignmentsList.at(i) - 1]; } QList typeAssignmentsList; while (fileContentsByLine.first().startsWith("TYPE ASSIGNMENTS")) { QString line(fileContentsByLine.first().mid(20, -1)); QStringList splitLine(line.split(" ", Qt::SkipEmptyParts)); for (qint64 i = 0; i < splitLine.length(); ++i) { typeAssignmentsList.append(splitLine.at(i).toLongLong()); } fileContentsByLine.removeFirst(); } m_xGaussianPrimitiveAngularMomenta.resize(m_numberOfGaussianPrimitives); m_yGaussianPrimitiveAngularMomenta.resize(m_numberOfGaussianPrimitives); m_zGaussianPrimitiveAngularMomenta.resize(m_numberOfGaussianPrimitives); for (qint64 i = 0; i < m_numberOfGaussianPrimitives; ++i) { switch (typeAssignmentsList.at(i)) { case 1: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 2: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 3: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 4: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 5: m_xGaussianPrimitiveAngularMomenta[i] = 2; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 6: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 2; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 7: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 2; break; case 8: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 9: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 10: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 11: m_xGaussianPrimitiveAngularMomenta[i] = 3; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 12: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 3; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 13: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 3; break; case 14: m_xGaussianPrimitiveAngularMomenta[i] = 2; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 15: m_xGaussianPrimitiveAngularMomenta[i] = 2; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 16: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 2; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 17: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 2; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 18: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 2; break; case 19: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 2; break; case 20: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; default: m_initializationSuccessful = false; m_maximumAngularMomentumExceeded = true; return m_initializationSuccessful; } } m_maximumAngularMomentumExceeded = false; QList exponentsList; while (fileContentsByLine.first().startsWith("EXPONENTS")) { QString line(fileContentsByLine.first().mid(9, -1)); QStringList splitLine(line.split(" ", Qt::SkipEmptyParts)); for (qint64 i = 0; i < splitLine.length(); ++i) { QString str(splitLine.at(i)); QString replacedString(str.replace("d", "e", Qt::CaseSensitive) .replace("D", "e", Qt::CaseSensitive) .replace("E", "e", Qt::CaseSensitive)); exponentsList.append(replacedString.toDouble()); } fileContentsByLine.removeFirst(); } m_gaussianPrimitiveExponentCoefficients.resize(m_numberOfGaussianPrimitives); for (qint64 i = 0; i < m_numberOfGaussianPrimitives; ++i) { m_gaussianPrimitiveExponentCoefficients[i] = exponentsList.at(i); } m_totalEnergy = fileContentsByLine.last().mid(17, 20).toDouble(); m_virialRatio = fileContentsByLine.last().mid(55, -1).toDouble(); fileContentsByLine.removeLast(); fileContentsByLine.removeLast(); if (fileContentsByLine.last().trimmed().contains("END DATA", Qt::CaseSensitive)) fileContentsByLine.removeLast(); QStringList moHeaderStringList; QStringList moCoefficientsStringList; QList moCoefficientsList; for (qint64 i = 0; i < fileContentsByLine.length(); ++i) { if (fileContentsByLine.at(i).trimmed().startsWith("MO")) { moHeaderStringList.append(fileContentsByLine.at(i)); } else { moCoefficientsStringList.append(fileContentsByLine.at(i)); } } QList molecularOrbitalOccupationNumbersList; QList molecularOrbitalEigenvaluesList; for (qint64 i = 0; i < moHeaderStringList.length(); ++i) { molecularOrbitalOccupationNumbersList.append( moHeaderStringList.at(i).mid(34, 13).toDouble()); molecularOrbitalEigenvaluesList.append( moHeaderStringList.at(i).mid(62, -1).toDouble()); } m_molecularOrbitalOccupationNumbers.resize(m_numberOfMolecularOrbitals); for (qint64 i = 0; i < m_numberOfMolecularOrbitals; ++i) m_molecularOrbitalOccupationNumbers[i] = molecularOrbitalOccupationNumbersList.at(i); m_molecularOrbitalEigenvalues.resize(m_numberOfMolecularOrbitals); for (qint64 i = 0; i < m_numberOfMolecularOrbitals; ++i) m_molecularOrbitalEigenvalues[i] = molecularOrbitalEigenvaluesList.at(i); moCoefficientsStringList = moCoefficientsStringList.join(" ").split(" ", Qt::SkipEmptyParts); for (qint64 i = 0; i < moCoefficientsStringList.length(); ++i) { QString str(moCoefficientsStringList.at(i)); QString replacedString(str.replace("d", "e", Qt::CaseSensitive) .replace("D", "e", Qt::CaseSensitive) .replace("E", "e", Qt::CaseSensitive)); moCoefficientsList.append(replacedString.toDouble()); } m_molecularOrbitalCoefficients.resize(m_numberOfMolecularOrbitals * m_numberOfGaussianPrimitives); for (qint64 i = 0; i < (m_numberOfMolecularOrbitals * m_numberOfGaussianPrimitives); ++i) m_molecularOrbitalCoefficients[i] = moCoefficientsList.at(i); m_initializationSuccessful = true; return m_initializationSuccessful; } bool QTAIMWavefunction::initializeWithMoleculeProperties(QtGui::Molecule*& mol) { if (mol->property("QTAIMNumberOfMolecularOrbitals").isValid()) { QVariant numberOfMolecularOrbitalsVariant = mol->property("QTAIMNumberOfMolecularOrbitals"); m_numberOfMolecularOrbitals = numberOfMolecularOrbitalsVariant.toLongLong(); QVariant numberOfGaussianPrimitivesVariant = mol->property("QTAIMNumberOfGaussianPrimitives"); m_numberOfGaussianPrimitives = numberOfGaussianPrimitivesVariant.toLongLong(); QVariant numberOfNucleiVariant = mol->property("QTAIMNumberOfNuclei"); m_numberOfNuclei = numberOfNucleiVariant.toLongLong(); QVariant xNuclearCoordinatesVariant = mol->property("QTAIMXNuclearCoordinates"); QVariant yNuclearCoordinatesVariant = mol->property("QTAIMYNuclearCoordinates"); QVariant zNuclearCoordinatesVariant = mol->property("QTAIMZNuclearCoordinates"); QVariant nuclearChargesVariant = mol->property("QTAIMNuclearCharges"); QVariantList xNuclearCoordinatesVariantList = xNuclearCoordinatesVariant.toList(); QVariantList yNuclearCoordinatesVariantList = yNuclearCoordinatesVariant.toList(); QVariantList zNuclearCoordinatesVariantList = zNuclearCoordinatesVariant.toList(); QVariantList nuclearChargesVariantList = nuclearChargesVariant.toList(); QList xNuclearCoordinatesList; QList yNuclearCoordinatesList; QList zNuclearCoordinatesList; QList nuclearChargesList_; for (qint64 i = 0; i < m_numberOfNuclei; ++i) { xNuclearCoordinatesList.append( xNuclearCoordinatesVariantList.at(i).toReal()); yNuclearCoordinatesList.append( yNuclearCoordinatesVariantList.at(i).toReal()); zNuclearCoordinatesList.append( zNuclearCoordinatesVariantList.at(i).toReal()); nuclearChargesList_.append(nuclearChargesVariantList.at(i).toLongLong()); } m_xNuclearCoordinates = xNuclearCoordinatesList.toVector(); m_yNuclearCoordinates = yNuclearCoordinatesList.toVector(); m_zNuclearCoordinates = zNuclearCoordinatesList.toVector(); m_nuclearCharges = nuclearChargesList_.toVector(); QVariant xGaussianPrimitiveCenterCoordinatesVariant = mol->property("QTAIMXGaussianPrimitiveCenterCoordinates"); QVariant yGaussianPrimitiveCenterCoordinatesVariant = mol->property("QTAIMYGaussianPrimitiveCenterCoordinates"); QVariant zGaussianPrimitiveCenterCoordinatesVariant = mol->property("QTAIMZGaussianPrimitiveCenterCoordinates"); QVariant xGaussianPrimitiveAngularMomentaVariant = mol->property("QTAIMXGaussianPrimitiveAngularMomenta"); QVariant yGaussianPrimitiveAngularMomentaVariant = mol->property("QTAIMYGaussianPrimitiveAngularMomenta"); QVariant zGaussianPrimitiveAngularMomentaVariant = mol->property("QTAIMZGaussianPrimitiveAngularMomenta"); QVariant gaussianPrimitiveExponentCoefficientsVariant = mol->property("QTAIMGaussianPrimitiveExponentCoefficients"); QVariantList xGaussianPrimitiveCenterCoordinatesVariantList = xGaussianPrimitiveCenterCoordinatesVariant.toList(); QVariantList yGaussianPrimitiveCenterCoordinatesVariantList = yGaussianPrimitiveCenterCoordinatesVariant.toList(); QVariantList zGaussianPrimitiveCenterCoordinatesVariantList = zGaussianPrimitiveCenterCoordinatesVariant.toList(); QVariantList xGaussianPrimitiveAngularMomentaVariantList = xGaussianPrimitiveAngularMomentaVariant.toList(); QVariantList yGaussianPrimitiveAngularMomentaVariantList = yGaussianPrimitiveAngularMomentaVariant.toList(); QVariantList zGaussianPrimitiveAngularMomentaVariantList = zGaussianPrimitiveAngularMomentaVariant.toList(); QVariantList gaussianPrimitiveExponentCoefficientsVariantList = gaussianPrimitiveExponentCoefficientsVariant.toList(); QList xGaussianPrimitiveCenterCoordinatesList; QList yGaussianPrimitiveCenterCoordinatesList; QList zGaussianPrimitiveCenterCoordinatesList; QList xGaussianPrimitiveAngularMomentaList; QList yGaussianPrimitiveAngularMomentaList; QList zGaussianPrimitiveAngularMomentaList; QList gaussianPrimitiveExponentCoefficientsList; for (qint64 p = 0; p < m_numberOfGaussianPrimitives; ++p) { xGaussianPrimitiveCenterCoordinatesList.append( xGaussianPrimitiveCenterCoordinatesVariantList.at(p).toReal()); yGaussianPrimitiveCenterCoordinatesList.append( yGaussianPrimitiveCenterCoordinatesVariantList.at(p).toReal()); zGaussianPrimitiveCenterCoordinatesList.append( zGaussianPrimitiveCenterCoordinatesVariantList.at(p).toReal()); xGaussianPrimitiveAngularMomentaList.append( xGaussianPrimitiveAngularMomentaVariantList.at(p).toLongLong()); yGaussianPrimitiveAngularMomentaList.append( yGaussianPrimitiveAngularMomentaVariantList.at(p).toLongLong()); zGaussianPrimitiveAngularMomentaList.append( zGaussianPrimitiveAngularMomentaVariantList.at(p).toLongLong()); gaussianPrimitiveExponentCoefficientsList.append( gaussianPrimitiveExponentCoefficientsVariantList.at(p).toReal()); } m_xGaussianPrimitiveCenterCoordinates = xGaussianPrimitiveCenterCoordinatesList.toVector(); m_yGaussianPrimitiveCenterCoordinates = yGaussianPrimitiveCenterCoordinatesList.toVector(); m_zGaussianPrimitiveCenterCoordinates = zGaussianPrimitiveCenterCoordinatesList.toVector(); m_xGaussianPrimitiveAngularMomenta = xGaussianPrimitiveAngularMomentaList.toVector(); m_yGaussianPrimitiveAngularMomenta = yGaussianPrimitiveAngularMomentaList.toVector(); m_zGaussianPrimitiveAngularMomenta = zGaussianPrimitiveAngularMomentaList.toVector(); m_gaussianPrimitiveExponentCoefficients = gaussianPrimitiveExponentCoefficientsList.toVector(); QVariant molecularOrbitalOccupationNumbersVariant = mol->property("QTAIMMolecularOrbitalOccupationNumbers"); QVariant molecularOrbitalEigenvaluesVariant = mol->property("QTAIMMolecularOrbitalEigenvalues"); QVariant molecularOrbitalCoefficientsVariant = mol->property("QTAIMMolecularOrbitalCoefficients"); QVariantList molecularOrbitalOccupationNumbersVariantList = molecularOrbitalOccupationNumbersVariant.toList(); QVariantList molecularOrbitalEigenvaluesVariantList = molecularOrbitalEigenvaluesVariant.toList(); QVariantList molecularOrbitalCoefficientsVariantList = molecularOrbitalCoefficientsVariant.toList(); QList molecularOrbitalOccupationNumbersList; QList molecularOrbitalEigenvaluesList; QList molecularOrbitalCoefficientsList; for (qint64 m = 0; m < m_numberOfMolecularOrbitals; ++m) { molecularOrbitalOccupationNumbersList.append( molecularOrbitalOccupationNumbersVariantList.at(m).toReal()); molecularOrbitalEigenvaluesList.append( molecularOrbitalEigenvaluesVariantList.at(m).toReal()); } for (qint64 i = 0; i < (m_numberOfMolecularOrbitals * m_numberOfGaussianPrimitives); ++i) { molecularOrbitalCoefficientsList.append( molecularOrbitalCoefficientsVariantList.at(i).toReal()); } m_molecularOrbitalOccupationNumbers = molecularOrbitalOccupationNumbersList.toVector(); m_molecularOrbitalEigenvalues = molecularOrbitalEigenvaluesList.toVector(); m_molecularOrbitalCoefficients = molecularOrbitalCoefficientsList.toVector(); QVariant totalEnergyVariant = mol->property("QTAIMTotalEnergy"); QVariant virialRatioVariant = mol->property("QTAIMVirialRatio"); m_totalEnergy = totalEnergyVariant.toReal(); m_virialRatio = virialRatioVariant.toReal(); } return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimwavefunction.h000066400000000000000000000204061516317240700303540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMWAVEFUNCTION_H #define QTAIMWAVEFUNCTION_H #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMWavefunction { public: explicit QTAIMWavefunction(); void saveToBinaryFile(const QString& fileName) { QFile file(fileName); if (!file.open(QIODevice::WriteOnly)) { QMessageBox::critical( nullptr, QObject::tr("Error"), QObject::tr("Cannot save file %1.").arg(file.fileName())); return; } QDataStream out(&file); out << m_fileName; out << m_comment; out << m_numberOfMolecularOrbitals; out << m_numberOfGaussianPrimitives; out << m_numberOfNuclei; out << m_xNuclearCoordinates; out << m_yNuclearCoordinates; out << m_zNuclearCoordinates; out << m_nuclearCharges; out << m_xGaussianPrimitiveCenterCoordinates; out << m_yGaussianPrimitiveCenterCoordinates; out << m_zGaussianPrimitiveCenterCoordinates; out << m_xGaussianPrimitiveAngularMomenta; out << m_yGaussianPrimitiveAngularMomenta; out << m_zGaussianPrimitiveAngularMomenta; out << m_gaussianPrimitiveExponentCoefficients; out << m_molecularOrbitalOccupationNumbers; out << m_molecularOrbitalEigenvalues; out << m_molecularOrbitalCoefficients; out << m_totalEnergy; out << m_virialRatio; } void loadFromBinaryFile(const QString& fileName) { QFile file(fileName); if (!file.open(QIODevice::ReadOnly)) { QMessageBox::critical( nullptr, QObject::tr("Error"), QObject::tr("Cannot read file %1.").arg(file.fileName())); return; } QDataStream in(&file); in >> m_fileName; in >> m_comment; in >> m_numberOfMolecularOrbitals; in >> m_numberOfGaussianPrimitives; in >> m_numberOfNuclei; in >> m_xNuclearCoordinates; in >> m_yNuclearCoordinates; in >> m_zNuclearCoordinates; in >> m_nuclearCharges; in >> m_xGaussianPrimitiveCenterCoordinates; in >> m_yGaussianPrimitiveCenterCoordinates; in >> m_zGaussianPrimitiveCenterCoordinates; in >> m_xGaussianPrimitiveAngularMomenta; in >> m_yGaussianPrimitiveAngularMomenta; in >> m_zGaussianPrimitiveAngularMomenta; in >> m_gaussianPrimitiveExponentCoefficients; in >> m_molecularOrbitalOccupationNumbers; in >> m_molecularOrbitalEigenvalues; in >> m_molecularOrbitalCoefficients; in >> m_totalEnergy; in >> m_virialRatio; } bool initializeWithWFNFile(const QString& fileName); // bool initializeWithMoleculeProperties( Molecule &mol ); bool initializeWithMoleculeProperties(QtGui::Molecule*& mol); // TODO initialize with Avogadro general wavefunction qint64 numberOfMolecularOrbitals() const { return m_numberOfMolecularOrbitals; } qint64 numberOfGaussianPrimitives() const { return m_numberOfGaussianPrimitives; } qint64 numberOfNuclei() const { return m_numberOfNuclei; } const qreal* xNuclearCoordinates() const { return m_xNuclearCoordinates.constData(); } const qreal* yNuclearCoordinates() const { return m_yNuclearCoordinates.constData(); } const qreal* zNuclearCoordinates() const { return m_zNuclearCoordinates.constData(); } qreal xNuclearCoordinate(qint64 i) const { return m_xNuclearCoordinates.at(i); } qreal yNuclearCoordinate(qint64 i) const { return m_yNuclearCoordinates.at(i); } qreal zNuclearCoordinate(qint64 i) const { return m_zNuclearCoordinates.at(i); } const qint64* nuclearCharges() const { return m_nuclearCharges.constData(); } qint64 nuclearCharge(qint64 i) const { return m_nuclearCharges.at(i); } const QList nuclearChargesList() const { return m_nuclearCharges.toList(); } const qreal* xGaussianPrimitiveCenterCoordinates() const { return m_xGaussianPrimitiveCenterCoordinates.constData(); } const qreal* yGaussianPrimitiveCenterCoordinates() const { return m_yGaussianPrimitiveCenterCoordinates.constData(); } const qreal* zGaussianPrimitiveCenterCoordinates() const { return m_zGaussianPrimitiveCenterCoordinates.constData(); } qreal xGaussianPrimitiveCenterCoordinate(qint64 i) const { return m_xGaussianPrimitiveCenterCoordinates.at(i); } qreal yGaussianPrimitiveCenterCoordinate(qint64 i) const { return m_yGaussianPrimitiveCenterCoordinates.at(i); } qreal zGaussianPrimitiveCenterCoordinate(qint64 i) const { return m_zGaussianPrimitiveCenterCoordinates.at(i); } const qint64* xGaussianPrimitiveAngularMomenta() const { return m_xGaussianPrimitiveAngularMomenta.constData(); } const qint64* yGaussianPrimitiveAngularMomenta() const { return m_yGaussianPrimitiveAngularMomenta.constData(); } const qint64* zGaussianPrimitiveAngularMomenta() const { return m_zGaussianPrimitiveAngularMomenta.constData(); } qint64 xGaussianPrimitiveAngularMomentum(qint64 i) const { return m_xGaussianPrimitiveAngularMomenta.at(i); } qint64 yGaussianPrimitiveAngularMomentum(qint64 i) const { return m_yGaussianPrimitiveAngularMomenta.at(i); } qint64 zGaussianPrimitiveAngularMomentum(qint64 i) const { return m_zGaussianPrimitiveAngularMomenta.at(i); } const qreal* gaussianPrimitiveExponentCoefficients() const { return m_gaussianPrimitiveExponentCoefficients.constData(); } qreal gaussianPrimitiveExponentCoefficient(qint64 i) const { return m_gaussianPrimitiveExponentCoefficients.at(i); } const qreal* molecularOrbitalOccupationNumbers() const { return m_molecularOrbitalOccupationNumbers.constData(); } qreal molecularOrbitalOccupationNumber(qint64 i) const { return m_molecularOrbitalOccupationNumbers.at(i); } const qreal* molecularOrbitalEigenvalues() const { return m_molecularOrbitalEigenvalues.constData(); } qreal molecularOrbitalEigenvalue(qint64 i) const { return m_molecularOrbitalEigenvalues.at(i); } const qreal* molecularOrbitalCoefficients() const { return m_molecularOrbitalCoefficients.constData(); } qreal molecularOrbitalCoefficient(qint64 i) const { return m_molecularOrbitalCoefficients.at(i); } qreal molecularOrbitalCoefficient(qint64 mo, qint64 prim) const { return m_molecularOrbitalCoefficients.at(mo * m_numberOfGaussianPrimitives + prim); } qreal totalEnergy() const { return m_totalEnergy; } qreal virialRatio() const { return m_virialRatio; } private: bool m_initializationSuccessful; bool m_fileDoesNotExist; bool m_ioError; bool m_tooManyNuclei; bool m_maximumAngularMomentumExceeded; QString m_fileName; QString m_comment; qint64 m_numberOfMolecularOrbitals; qint64 m_numberOfGaussianPrimitives; qint64 m_numberOfNuclei; QVector m_xNuclearCoordinates; QVector m_yNuclearCoordinates; QVector m_zNuclearCoordinates; QVector m_nuclearCharges; QVector m_xGaussianPrimitiveCenterCoordinates; QVector m_yGaussianPrimitiveCenterCoordinates; QVector m_zGaussianPrimitiveCenterCoordinates; QVector m_xGaussianPrimitiveAngularMomenta; QVector m_yGaussianPrimitiveAngularMomenta; QVector m_zGaussianPrimitiveAngularMomenta; QVector m_gaussianPrimitiveExponentCoefficients; QVector m_molecularOrbitalOccupationNumbers; QVector m_molecularOrbitalEigenvalues; QVector m_molecularOrbitalCoefficients; qreal m_totalEnergy; qreal m_virialRatio; }; } // namespace Avogadro::QtPlugins #endif // QTAIMWAVEFUNCTION_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp000066400000000000000000002124561516317240700326420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimwavefunctionevaluator.h" #include namespace Avogadro::QtPlugins { QTAIMWavefunctionEvaluator::QTAIMWavefunctionEvaluator(QTAIMWavefunction& wfn) : m_nmo(wfn.numberOfMolecularOrbitals()), m_nprim(wfn.numberOfGaussianPrimitives()), m_nnuc(wfn.numberOfNuclei()), m_nucxcoord( Map>(wfn.xNuclearCoordinates(), m_nnuc)), m_nucycoord( Map>(wfn.yNuclearCoordinates(), m_nnuc)), m_nuczcoord( Map>(wfn.zNuclearCoordinates(), m_nnuc)), m_nucz(Map>(wfn.nuclearCharges(), m_nnuc)), m_X0(Map>( wfn.xGaussianPrimitiveCenterCoordinates(), m_nprim, 1)), m_Y0(Map>( wfn.yGaussianPrimitiveCenterCoordinates(), m_nprim, 1)), m_Z0(Map>( wfn.zGaussianPrimitiveCenterCoordinates(), m_nprim, 1)), m_xamom(Map>( wfn.xGaussianPrimitiveAngularMomenta(), m_nprim, 1)), m_yamom(Map>( wfn.yGaussianPrimitiveAngularMomenta(), m_nprim, 1)), m_zamom(Map>( wfn.zGaussianPrimitiveAngularMomenta(), m_nprim, 1)), m_alpha(Map>( wfn.gaussianPrimitiveExponentCoefficients(), m_nprim, 1)), m_occno(Map>( wfn.molecularOrbitalOccupationNumbers(), m_nmo, 1)), m_orbe(Map>( wfn.molecularOrbitalEigenvalues(), m_nmo, 1)), m_coef(Map>( wfn.molecularOrbitalCoefficients(), m_nmo, m_nprim)), m_totalEnergy(wfn.totalEnergy()), m_virialRatio(wfn.virialRatio()), m_cutoff(log(1.e-15)) { m_cdg000.resize(m_nmo); m_cdg100.resize(m_nmo); m_cdg010.resize(m_nmo); m_cdg001.resize(m_nmo); m_cdg200.resize(m_nmo); m_cdg110.resize(m_nmo); m_cdg101.resize(m_nmo); m_cdg020.resize(m_nmo); m_cdg011.resize(m_nmo); m_cdg002.resize(m_nmo); m_cdg300.resize(m_nmo); m_cdg120.resize(m_nmo); m_cdg102.resize(m_nmo); m_cdg210.resize(m_nmo); m_cdg030.resize(m_nmo); m_cdg012.resize(m_nmo); m_cdg201.resize(m_nmo); m_cdg021.resize(m_nmo); m_cdg003.resize(m_nmo); m_cdg111.resize(m_nmo); m_cdg400.resize(m_nmo); m_cdg220.resize(m_nmo); m_cdg202.resize(m_nmo); m_cdg310.resize(m_nmo); m_cdg130.resize(m_nmo); m_cdg112.resize(m_nmo); m_cdg301.resize(m_nmo); m_cdg121.resize(m_nmo); m_cdg103.resize(m_nmo); m_cdg040.resize(m_nmo); m_cdg022.resize(m_nmo); m_cdg211.resize(m_nmo); m_cdg031.resize(m_nmo); m_cdg013.resize(m_nmo); m_cdg004.resize(m_nmo); } qreal QTAIMWavefunctionEvaluator::molecularOrbital( const qint64 mo, const Matrix xyz) { qreal value = 0.0; for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qreal ax0 = ipow(xx0, m_xamom(p)); qreal ay0 = ipow(yy0, m_yamom(p)); qreal az0 = ipow(zz0, m_zamom(p)); qreal b0 = exp(b0arg); qreal dg000 = ax0 * ay0 * az0 * b0; value += m_coef(mo, p) * dg000; } } return value; } qreal QTAIMWavefunctionEvaluator::electronDensity(const Matrix xyz) { qreal value; m_cdg000.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qreal ax0 = ipow(xx0, m_xamom(p)); qreal ay0 = ipow(yy0, m_yamom(p)); qreal az0 = ipow(zz0, m_zamom(p)); qreal b0 = exp(b0arg); qreal dg000 = ax0 * ay0 * az0 * b0; for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; } } } value = 0.0; for (qint64 m = 0; m < m_nmo; ++m) { value += m_occno(m) * ipow(m_cdg000(m), 2); } return value; } Matrix QTAIMWavefunctionEvaluator::gradientOfElectronDensity( Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; } } } value.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { value(0) += m_occno(m) * m_cdg100(m) * m_cdg000(m); value(1) += m_occno(m) * m_cdg010(m) * m_cdg000(m); value(2) += m_occno(m) * m_cdg001(m) * m_cdg000(m); } return value; } Matrix QTAIMWavefunctionEvaluator::hessianOfElectronDensity( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; } } } value.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { value(0, 0) += 2 * m_occno(m) * (ipow(m_cdg100(m), 2) + m_cdg000(m) * m_cdg200(m)); value(1, 1) += 2 * m_occno(m) * (ipow(m_cdg010(m), 2) + m_cdg000(m) * m_cdg020(m)); value(2, 2) += 2 * m_occno(m) * (ipow(m_cdg001(m), 2) + m_cdg000(m) * m_cdg002(m)); value(0, 1) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg010(m) + m_cdg000(m) * m_cdg110(m)); value(0, 2) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg001(m) + m_cdg000(m) * m_cdg101(m)); value(1, 2) += 2 * m_occno(m) * (m_cdg010(m) * m_cdg001(m) + m_cdg000(m) * m_cdg011(m)); } value(1, 0) = value(0, 1); value(2, 0) = value(0, 2); value(2, 1) = value(1, 2); return value; } Matrix QTAIMWavefunctionEvaluator::gradientAndHessianOfElectronDensity( const Matrix xyz) { Matrix gValue; Matrix hValue; Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; } } } gValue.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { gValue(0) += m_occno(m) * m_cdg100(m) * m_cdg000(m); gValue(1) += m_occno(m) * m_cdg010(m) * m_cdg000(m); gValue(2) += m_occno(m) * m_cdg001(m) * m_cdg000(m); } hValue.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { hValue(0, 0) += 2 * m_occno(m) * (ipow(m_cdg100(m), 2) + m_cdg000(m) * m_cdg200(m)); hValue(1, 1) += 2 * m_occno(m) * (ipow(m_cdg010(m), 2) + m_cdg000(m) * m_cdg020(m)); hValue(2, 2) += 2 * m_occno(m) * (ipow(m_cdg001(m), 2) + m_cdg000(m) * m_cdg002(m)); hValue(0, 1) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg010(m) + m_cdg000(m) * m_cdg110(m)); hValue(0, 2) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg001(m) + m_cdg000(m) * m_cdg101(m)); hValue(1, 2) += 2 * m_occno(m) * (m_cdg010(m) * m_cdg001(m) + m_cdg000(m) * m_cdg011(m)); } hValue(1, 0) = hValue(0, 1); hValue(2, 0) = hValue(0, 2); hValue(2, 1) = hValue(1, 2); value(0, 0) = gValue(0); value(1, 0) = gValue(1); value(2, 0) = gValue(2); value(0, 1) = hValue(0, 0); value(1, 1) = hValue(1, 0); value(2, 1) = hValue(2, 0); value(0, 2) = hValue(0, 1); value(1, 2) = hValue(1, 1); value(2, 2) = hValue(2, 1); value(0, 3) = hValue(0, 2); value(1, 3) = hValue(1, 2); value(2, 3) = hValue(2, 2); return value; } qreal QTAIMWavefunctionEvaluator::laplacianOfElectronDensity( const Matrix xyz) { qreal value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; } } } value = 0.0; for (qint64 m = 0; m < m_nmo; ++m) { value += 2 * m_occno(m) * (ipow(m_cdg100(m), 2) + m_cdg000(m) * m_cdg200(m)) + 2 * m_occno(m) * (ipow(m_cdg010(m), 2) + m_cdg000(m) * m_cdg020(m)) + 2 * m_occno(m) * (ipow(m_cdg001(m), 2) + m_cdg000(m) * m_cdg002(m)); } return value; } Matrix QTAIMWavefunctionEvaluator::gradientOfElectronDensityLaplacian( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); m_cdg300.setZero(); m_cdg120.setZero(); m_cdg102.setZero(); m_cdg210.setZero(); m_cdg030.setZero(); m_cdg012.setZero(); m_cdg201.setZero(); m_cdg021.setZero(); m_cdg003.setZero(); // m_cdg111.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qint64 aax3 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2); qint64 aay3 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2); qint64 aaz3 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal ax3; qreal ay3; qreal az3; if (m_xamom(p) < 3) { ax3 = zero; } else if (m_xamom(p) == 3) { ax3 = one; } else { ax3 = aax3 * ipow(xx0, m_xamom(p) - 3); } if (m_yamom(p) < 3) { ay3 = zero; } else if (m_yamom(p) == 3) { ay3 = one; } else { ay3 = aay3 * ipow(yy0, m_yamom(p) - 3); } if (m_zamom(p) < 3) { az3 = zero; } else if (m_zamom(p) == 3) { az3 = one; } else { az3 = aaz3 * ipow(zz0, m_zamom(p) - 3); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal bx3 = (12 * ipow(m_alpha(p), 2) * xx0) - (8 * ipow(m_alpha(p), 3) * ipow(xx0, 3)); qreal by3 = (12 * ipow(m_alpha(p), 2) * yy0) - (8 * ipow(m_alpha(p), 3) * ipow(yy0, 3)); qreal bz3 = (12 * ipow(m_alpha(p), 2) * zz0) - (8 * ipow(m_alpha(p), 3) * ipow(zz0, 3)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg300 = ay0 * az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3); qreal dg030 = ax0 * az0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg003 = ax0 * ay0 * b0 * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg210 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1); qreal dg201 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az1 + az0 * bz1); qreal dg120 = az0 * b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg021 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg102 = ay0 * b0 * (ax1 + ax0 * bx1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg012 = ax0 * b0 * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); // qreal dg111 = b0*(ax1+ax0*bx1)*(ay1+ay0*by1)*(az1+az0*bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; m_cdg300(m) += m_coef(m, p) * dg300; m_cdg030(m) += m_coef(m, p) * dg030; m_cdg003(m) += m_coef(m, p) * dg003; m_cdg210(m) += m_coef(m, p) * dg210; m_cdg201(m) += m_coef(m, p) * dg201; m_cdg120(m) += m_coef(m, p) * dg120; m_cdg021(m) += m_coef(m, p) * dg021; m_cdg102(m) += m_coef(m, p) * dg102; m_cdg012(m) += m_coef(m, p) * dg012; // m_cdg111(m) += m_coef(m,p) * dg111; } } } qreal deriv300 = zero; qreal deriv030 = zero; qreal deriv003 = zero; qreal deriv210 = zero; qreal deriv201 = zero; qreal deriv120 = zero; qreal deriv021 = zero; qreal deriv102 = zero; qreal deriv012 = zero; // qreal deriv111=zero; for (qint64 m = 0; m < m_nmo; ++m) { deriv300 += (m_occno(m) * (6 * m_cdg100(m) * m_cdg200(m) + 2 * m_cdg000(m) * m_cdg300(m))); deriv030 += (m_occno(m) * (6 * m_cdg010(m) * m_cdg020(m) + 2 * m_cdg000(m) * m_cdg030(m))); deriv003 += (m_occno(m) * (6 * m_cdg001(m) * m_cdg002(m) + 2 * m_cdg000(m) * m_cdg003(m))); deriv210 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg110(m) + m_cdg010(m) * m_cdg200(m) + m_cdg000(m) * m_cdg210(m)))); deriv201 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg101(m) + m_cdg001(m) * m_cdg200(m) + m_cdg000(m) * m_cdg201(m)))); deriv120 += (m_occno(m) * (2 * (m_cdg020(m) * m_cdg100(m) + 2 * m_cdg010(m) * m_cdg110(m) + m_cdg000(m) * m_cdg120(m)))); deriv021 += (m_occno(m) * (2 * (2 * m_cdg010(m) * m_cdg011(m) + m_cdg001(m) * m_cdg020(m) + m_cdg000(m) * m_cdg021(m)))); deriv102 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg100(m) + 2 * m_cdg001(m) * m_cdg101(m) + m_cdg000(m) * m_cdg102(m)))); deriv012 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg010(m) + 2 * m_cdg001(m) * m_cdg011(m) + m_cdg000(m) * m_cdg012(m)))); // deriv111+=(m_occno(m)*( // 2*(m_cdg011(m)*m_cdg100(m)+m_cdg010(m)*m_cdg101(m)+m_cdg001(m)*m_cdg110(m)+m_cdg000(m)*m_cdg111(m)) // )); } value(0) = deriv300 + deriv120 + deriv102; value(1) = deriv210 + deriv030 + deriv012; value(2) = deriv201 + deriv021 + deriv003; return value; } Matrix QTAIMWavefunctionEvaluator::hessianOfElectronDensityLaplacian( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); m_cdg300.setZero(); m_cdg120.setZero(); m_cdg102.setZero(); m_cdg210.setZero(); m_cdg030.setZero(); m_cdg012.setZero(); m_cdg201.setZero(); m_cdg021.setZero(); m_cdg003.setZero(); m_cdg111.setZero(); m_cdg400.setZero(); m_cdg040.setZero(); m_cdg004.setZero(); m_cdg310.setZero(); m_cdg301.setZero(); m_cdg130.setZero(); m_cdg031.setZero(); m_cdg103.setZero(); m_cdg013.setZero(); m_cdg220.setZero(); m_cdg202.setZero(); m_cdg022.setZero(); m_cdg211.setZero(); m_cdg121.setZero(); m_cdg112.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qint64 aax3 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2); qint64 aay3 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2); qint64 aaz3 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2); qint64 aax4 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2) * (m_xamom(p) - 3); qint64 aay4 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2) * (m_xamom(p) - 3); qint64 aaz4 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2) * (m_xamom(p) - 3); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal ax3; qreal ay3; qreal az3; if (m_xamom(p) < 3) { ax3 = zero; } else if (m_xamom(p) == 3) { ax3 = one; } else { ax3 = aax3 * ipow(xx0, m_xamom(p) - 3); } if (m_yamom(p) < 3) { ay3 = zero; } else if (m_yamom(p) == 3) { ay3 = one; } else { ay3 = aay3 * ipow(yy0, m_yamom(p) - 3); } if (m_zamom(p) < 3) { az3 = zero; } else if (m_zamom(p) == 3) { az3 = one; } else { az3 = aaz3 * ipow(zz0, m_zamom(p) - 3); } qreal ax4; qreal ay4; qreal az4; if (m_xamom(p) < 4) { ax4 = zero; } else if (m_xamom(p) == 4) { ax4 = one; } else { ax4 = aax4 * ipow(xx0, m_xamom(p) - 4); } if (m_yamom(p) < 4) { ay4 = zero; } else if (m_yamom(p) == 4) { ay4 = one; } else { ay4 = aay4 * ipow(yy0, m_yamom(p) - 4); } if (m_zamom(p) < 4) { az4 = zero; } else if (m_zamom(p) == 4) { az4 = one; } else { az4 = aaz4 * ipow(zz0, m_zamom(p) - 4); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal bx3 = (12 * ipow(m_alpha(p), 2) * xx0) - (8 * ipow(m_alpha(p), 3) * ipow(xx0, 3)); qreal by3 = (12 * ipow(m_alpha(p), 2) * yy0) - (8 * ipow(m_alpha(p), 3) * ipow(yy0, 3)); qreal bz3 = (12 * ipow(m_alpha(p), 2) * zz0) - (8 * ipow(m_alpha(p), 3) * ipow(zz0, 3)); qreal bx4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(xx0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(xx0, 4)); qreal by4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(yy0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(yy0, 4)); qreal bz4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(zz0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(zz0, 4)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg300 = ay0 * az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3); qreal dg030 = ax0 * az0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg003 = ax0 * ay0 * b0 * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg210 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1); qreal dg201 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az1 + az0 * bz1); qreal dg120 = az0 * b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg021 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg102 = ay0 * b0 * (ax1 + ax0 * bx1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg012 = ax0 * b0 * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg111 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg400 = ay0 * az0 * b0 * (ax4 + 4 * ax3 * bx1 + 6 * ax2 * bx2 + 4 * ax1 * bx3 + ax0 * bx4); qreal dg040 = ax0 * az0 * b0 * (ay4 + 4 * ay3 * by1 + 6 * ay2 * by2 + 4 * ay1 * by3 + ay0 * by4); qreal dg004 = ax0 * ay0 * b0 * (az4 + 4 * az3 * bz1 + 6 * az2 * bz2 + 4 * az1 * bz3 + az0 * bz4); qreal dg310 = az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (ay1 + ay0 * by1); qreal dg301 = ay0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (az1 + az0 * bz1); qreal dg130 = az0 * b0 * (ax1 + ax0 * bx1) * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg031 = ax0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3) * (az1 + az0 * bz1); qreal dg103 = ay0 * b0 * (ax1 + ax0 * bx1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg013 = ax0 * b0 * (ay1 + ay0 * by1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg220 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg202 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg022 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg211 = b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg121 = b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg112 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; m_cdg300(m) += m_coef(m, p) * dg300; m_cdg030(m) += m_coef(m, p) * dg030; m_cdg003(m) += m_coef(m, p) * dg003; m_cdg210(m) += m_coef(m, p) * dg210; m_cdg201(m) += m_coef(m, p) * dg201; m_cdg120(m) += m_coef(m, p) * dg120; m_cdg021(m) += m_coef(m, p) * dg021; m_cdg102(m) += m_coef(m, p) * dg102; m_cdg012(m) += m_coef(m, p) * dg012; m_cdg111(m) += m_coef(m, p) * dg111; m_cdg400(m) += m_coef(m, p) * dg400; m_cdg040(m) += m_coef(m, p) * dg040; m_cdg004(m) += m_coef(m, p) * dg004; m_cdg310(m) += m_coef(m, p) * dg310; m_cdg301(m) += m_coef(m, p) * dg301; m_cdg130(m) += m_coef(m, p) * dg130; m_cdg031(m) += m_coef(m, p) * dg031; m_cdg103(m) += m_coef(m, p) * dg103; m_cdg013(m) += m_coef(m, p) * dg013; m_cdg220(m) += m_coef(m, p) * dg220; m_cdg202(m) += m_coef(m, p) * dg202; m_cdg022(m) += m_coef(m, p) * dg022; m_cdg211(m) += m_coef(m, p) * dg211; m_cdg121(m) += m_coef(m, p) * dg121; m_cdg112(m) += m_coef(m, p) * dg112; } } } qreal deriv400 = zero; qreal deriv040 = zero; qreal deriv004 = zero; qreal deriv310 = zero; qreal deriv301 = zero; qreal deriv130 = zero; qreal deriv031 = zero; qreal deriv103 = zero; qreal deriv013 = zero; qreal deriv220 = zero; qreal deriv202 = zero; qreal deriv022 = zero; qreal deriv211 = zero; qreal deriv121 = zero; qreal deriv112 = zero; for (qint64 m = 0; m < m_nmo; ++m) { deriv400 += (m_occno(m) * (6 * ipow(m_cdg200(m), 2) + 8 * m_cdg100(m) * m_cdg300(m) + 2 * m_cdg000(m) * m_cdg400(m))); deriv040 += (m_occno(m) * (6 * ipow(m_cdg020(m), 2) + 8 * m_cdg010(m) * m_cdg030(m) + 2 * m_cdg000(m) * m_cdg040(m))); deriv004 += (m_occno(m) * (6 * ipow(m_cdg002(m), 2) + 8 * m_cdg001(m) * m_cdg003(m) + 2 * m_cdg000(m) * m_cdg004(m))); deriv310 += (m_occno(m) * (2 * (3 * m_cdg110(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg210(m) + m_cdg010(m) * m_cdg300(m) + m_cdg000(m) * m_cdg310(m)))); deriv301 += (m_occno(m) * (2 * (3 * m_cdg101(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg201(m) + m_cdg001(m) * m_cdg300(m) + m_cdg000(m) * m_cdg301(m)))); deriv130 += (m_occno(m) * (2 * (m_cdg030(m) * m_cdg100(m) + 3 * m_cdg020(m) * m_cdg110(m) + 3 * m_cdg010(m) * m_cdg120(m) + m_cdg000(m) * m_cdg130(m)))); deriv031 += (m_occno(m) * (2 * (3 * m_cdg011(m) * m_cdg020(m) + 3 * m_cdg010(m) * m_cdg021(m) + m_cdg001(m) * m_cdg030(m) + m_cdg000(m) * m_cdg031(m)))); deriv103 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg100(m) + 3 * m_cdg002(m) * m_cdg101(m) + 3 * m_cdg001(m) * m_cdg102(m) + m_cdg000(m) * m_cdg103(m)))); deriv013 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg010(m) + 3 * m_cdg002(m) * m_cdg011(m) + 3 * m_cdg001(m) * m_cdg012(m) + m_cdg000(m) * m_cdg013(m)))); deriv220 += (m_occno(m) * (2 * (2 * ipow(m_cdg110(m), 2) + 2 * m_cdg100(m) * m_cdg120(m) + m_cdg020(m) * m_cdg200(m) + 2 * m_cdg010(m) * m_cdg210(m) + m_cdg000(m) * m_cdg220(m)))); deriv202 += (m_occno(m) * (2 * (2 * ipow(m_cdg101(m), 2) + 2 * m_cdg100(m) * m_cdg102(m) + m_cdg002(m) * m_cdg200(m) + 2 * m_cdg001(m) * m_cdg201(m) + m_cdg000(m) * m_cdg202(m)))); deriv022 += (m_occno(m) * (2 * (2 * ipow(m_cdg011(m), 2) + 2 * m_cdg010(m) * m_cdg012(m) + m_cdg002(m) * m_cdg020(m) + 2 * m_cdg001(m) * m_cdg021(m) + m_cdg000(m) * m_cdg022(m)))); deriv211 += (m_occno(m) * (2 * (2 * m_cdg101(m) * m_cdg110(m) + 2 * m_cdg100(m) * m_cdg111(m) + m_cdg011(m) * m_cdg200(m) + m_cdg010(m) * m_cdg201(m) + m_cdg001(m) * m_cdg210(m) + m_cdg000(m) * m_cdg211(m)))); deriv121 += (m_occno(m) * (2 * (m_cdg021(m) * m_cdg100(m) + m_cdg020(m) * m_cdg101(m) + 2 * m_cdg011(m) * m_cdg110(m) + 2 * m_cdg010(m) * m_cdg111(m) + m_cdg001(m) * m_cdg120(m) + m_cdg000(m) * m_cdg121(m)))); deriv112 += (m_occno(m) * (2 * (m_cdg012(m) * m_cdg100(m) + 2 * m_cdg011(m) * m_cdg101(m) + m_cdg010(m) * m_cdg102(m) + m_cdg002(m) * m_cdg110(m) + 2 * m_cdg001(m) * m_cdg111(m) + m_cdg000(m) * m_cdg112(m)))); } value(0, 0) = deriv400 + deriv220 + deriv202; value(1, 1) = deriv220 + deriv040 + deriv022; value(2, 2) = deriv202 + deriv022 + deriv004; value(0, 1) = deriv310 + deriv130 + deriv112; value(0, 2) = deriv301 + deriv121 + deriv103; value(1, 2) = deriv211 + deriv031 + deriv013; value(1, 0) = value(0, 1); value(2, 0) = value(0, 2); value(2, 1) = value(1, 2); return value; } Matrix QTAIMWavefunctionEvaluator::gradientAndHessianOfElectronDensityLaplacian( const Matrix xyz) { Matrix gValue; Matrix hValue; Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); m_cdg300.setZero(); m_cdg120.setZero(); m_cdg102.setZero(); m_cdg210.setZero(); m_cdg030.setZero(); m_cdg012.setZero(); m_cdg201.setZero(); m_cdg021.setZero(); m_cdg003.setZero(); m_cdg111.setZero(); m_cdg400.setZero(); m_cdg040.setZero(); m_cdg004.setZero(); m_cdg310.setZero(); m_cdg301.setZero(); m_cdg130.setZero(); m_cdg031.setZero(); m_cdg103.setZero(); m_cdg013.setZero(); m_cdg220.setZero(); m_cdg202.setZero(); m_cdg022.setZero(); m_cdg211.setZero(); m_cdg121.setZero(); m_cdg112.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qint64 aax3 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2); qint64 aay3 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2); qint64 aaz3 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2); qint64 aax4 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2) * (m_xamom(p) - 3); qint64 aay4 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2) * (m_xamom(p) - 3); qint64 aaz4 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2) * (m_xamom(p) - 3); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal ax3; qreal ay3; qreal az3; if (m_xamom(p) < 3) { ax3 = zero; } else if (m_xamom(p) == 3) { ax3 = one; } else { ax3 = aax3 * ipow(xx0, m_xamom(p) - 3); } if (m_yamom(p) < 3) { ay3 = zero; } else if (m_yamom(p) == 3) { ay3 = one; } else { ay3 = aay3 * ipow(yy0, m_yamom(p) - 3); } if (m_zamom(p) < 3) { az3 = zero; } else if (m_zamom(p) == 3) { az3 = one; } else { az3 = aaz3 * ipow(zz0, m_zamom(p) - 3); } qreal ax4; qreal ay4; qreal az4; if (m_xamom(p) < 4) { ax4 = zero; } else if (m_xamom(p) == 4) { ax4 = one; } else { ax4 = aax4 * ipow(xx0, m_xamom(p) - 4); } if (m_yamom(p) < 4) { ay4 = zero; } else if (m_yamom(p) == 4) { ay4 = one; } else { ay4 = aay4 * ipow(yy0, m_yamom(p) - 4); } if (m_zamom(p) < 4) { az4 = zero; } else if (m_zamom(p) == 4) { az4 = one; } else { az4 = aaz4 * ipow(zz0, m_zamom(p) - 4); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal bx3 = (12 * ipow(m_alpha(p), 2) * xx0) - (8 * ipow(m_alpha(p), 3) * ipow(xx0, 3)); qreal by3 = (12 * ipow(m_alpha(p), 2) * yy0) - (8 * ipow(m_alpha(p), 3) * ipow(yy0, 3)); qreal bz3 = (12 * ipow(m_alpha(p), 2) * zz0) - (8 * ipow(m_alpha(p), 3) * ipow(zz0, 3)); qreal bx4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(xx0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(xx0, 4)); qreal by4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(yy0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(yy0, 4)); qreal bz4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(zz0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(zz0, 4)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg300 = ay0 * az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3); qreal dg030 = ax0 * az0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg003 = ax0 * ay0 * b0 * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg210 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1); qreal dg201 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az1 + az0 * bz1); qreal dg120 = az0 * b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg021 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg102 = ay0 * b0 * (ax1 + ax0 * bx1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg012 = ax0 * b0 * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg111 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg400 = ay0 * az0 * b0 * (ax4 + 4 * ax3 * bx1 + 6 * ax2 * bx2 + 4 * ax1 * bx3 + ax0 * bx4); qreal dg040 = ax0 * az0 * b0 * (ay4 + 4 * ay3 * by1 + 6 * ay2 * by2 + 4 * ay1 * by3 + ay0 * by4); qreal dg004 = ax0 * ay0 * b0 * (az4 + 4 * az3 * bz1 + 6 * az2 * bz2 + 4 * az1 * bz3 + az0 * bz4); qreal dg310 = az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (ay1 + ay0 * by1); qreal dg301 = ay0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (az1 + az0 * bz1); qreal dg130 = az0 * b0 * (ax1 + ax0 * bx1) * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg031 = ax0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3) * (az1 + az0 * bz1); qreal dg103 = ay0 * b0 * (ax1 + ax0 * bx1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg013 = ax0 * b0 * (ay1 + ay0 * by1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg220 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg202 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg022 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg211 = b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg121 = b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg112 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; m_cdg300(m) += m_coef(m, p) * dg300; m_cdg030(m) += m_coef(m, p) * dg030; m_cdg003(m) += m_coef(m, p) * dg003; m_cdg210(m) += m_coef(m, p) * dg210; m_cdg201(m) += m_coef(m, p) * dg201; m_cdg120(m) += m_coef(m, p) * dg120; m_cdg021(m) += m_coef(m, p) * dg021; m_cdg102(m) += m_coef(m, p) * dg102; m_cdg012(m) += m_coef(m, p) * dg012; m_cdg111(m) += m_coef(m, p) * dg111; m_cdg400(m) += m_coef(m, p) * dg400; m_cdg040(m) += m_coef(m, p) * dg040; m_cdg004(m) += m_coef(m, p) * dg004; m_cdg310(m) += m_coef(m, p) * dg310; m_cdg301(m) += m_coef(m, p) * dg301; m_cdg130(m) += m_coef(m, p) * dg130; m_cdg031(m) += m_coef(m, p) * dg031; m_cdg103(m) += m_coef(m, p) * dg103; m_cdg013(m) += m_coef(m, p) * dg013; m_cdg220(m) += m_coef(m, p) * dg220; m_cdg202(m) += m_coef(m, p) * dg202; m_cdg022(m) += m_coef(m, p) * dg022; m_cdg211(m) += m_coef(m, p) * dg211; m_cdg121(m) += m_coef(m, p) * dg121; m_cdg112(m) += m_coef(m, p) * dg112; } } } qreal deriv300 = zero; qreal deriv030 = zero; qreal deriv003 = zero; qreal deriv210 = zero; qreal deriv201 = zero; qreal deriv120 = zero; qreal deriv021 = zero; qreal deriv102 = zero; qreal deriv012 = zero; qreal deriv400 = zero; qreal deriv040 = zero; qreal deriv004 = zero; qreal deriv310 = zero; qreal deriv301 = zero; qreal deriv130 = zero; qreal deriv031 = zero; qreal deriv103 = zero; qreal deriv013 = zero; qreal deriv220 = zero; qreal deriv202 = zero; qreal deriv022 = zero; qreal deriv211 = zero; qreal deriv121 = zero; qreal deriv112 = zero; for (qint64 m = 0; m < m_nmo; ++m) { deriv300 += (m_occno(m) * (6 * m_cdg100(m) * m_cdg200(m) + 2 * m_cdg000(m) * m_cdg300(m))); deriv030 += (m_occno(m) * (6 * m_cdg010(m) * m_cdg020(m) + 2 * m_cdg000(m) * m_cdg030(m))); deriv003 += (m_occno(m) * (6 * m_cdg001(m) * m_cdg002(m) + 2 * m_cdg000(m) * m_cdg003(m))); deriv210 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg110(m) + m_cdg010(m) * m_cdg200(m) + m_cdg000(m) * m_cdg210(m)))); deriv201 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg101(m) + m_cdg001(m) * m_cdg200(m) + m_cdg000(m) * m_cdg201(m)))); deriv120 += (m_occno(m) * (2 * (m_cdg020(m) * m_cdg100(m) + 2 * m_cdg010(m) * m_cdg110(m) + m_cdg000(m) * m_cdg120(m)))); deriv021 += (m_occno(m) * (2 * (2 * m_cdg010(m) * m_cdg011(m) + m_cdg001(m) * m_cdg020(m) + m_cdg000(m) * m_cdg021(m)))); deriv102 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg100(m) + 2 * m_cdg001(m) * m_cdg101(m) + m_cdg000(m) * m_cdg102(m)))); deriv012 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg010(m) + 2 * m_cdg001(m) * m_cdg011(m) + m_cdg000(m) * m_cdg012(m)))); // deriv111+=(m_occno(m)*( // 2*(m_cdg011(m)*m_cdg100(m)+m_cdg010(m)*m_cdg101(m)+m_cdg001(m)*m_cdg110(m)+m_cdg000(m)*m_cdg111(m)) // )); deriv400 += (m_occno(m) * (6 * ipow(m_cdg200(m), 2) + 8 * m_cdg100(m) * m_cdg300(m) + 2 * m_cdg000(m) * m_cdg400(m))); deriv040 += (m_occno(m) * (6 * ipow(m_cdg020(m), 2) + 8 * m_cdg010(m) * m_cdg030(m) + 2 * m_cdg000(m) * m_cdg040(m))); deriv004 += (m_occno(m) * (6 * ipow(m_cdg002(m), 2) + 8 * m_cdg001(m) * m_cdg003(m) + 2 * m_cdg000(m) * m_cdg004(m))); deriv310 += (m_occno(m) * (2 * (3 * m_cdg110(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg210(m) + m_cdg010(m) * m_cdg300(m) + m_cdg000(m) * m_cdg310(m)))); deriv301 += (m_occno(m) * (2 * (3 * m_cdg101(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg201(m) + m_cdg001(m) * m_cdg300(m) + m_cdg000(m) * m_cdg301(m)))); deriv130 += (m_occno(m) * (2 * (m_cdg030(m) * m_cdg100(m) + 3 * m_cdg020(m) * m_cdg110(m) + 3 * m_cdg010(m) * m_cdg120(m) + m_cdg000(m) * m_cdg130(m)))); deriv031 += (m_occno(m) * (2 * (3 * m_cdg011(m) * m_cdg020(m) + 3 * m_cdg010(m) * m_cdg021(m) + m_cdg001(m) * m_cdg030(m) + m_cdg000(m) * m_cdg031(m)))); deriv103 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg100(m) + 3 * m_cdg002(m) * m_cdg101(m) + 3 * m_cdg001(m) * m_cdg102(m) + m_cdg000(m) * m_cdg103(m)))); deriv013 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg010(m) + 3 * m_cdg002(m) * m_cdg011(m) + 3 * m_cdg001(m) * m_cdg012(m) + m_cdg000(m) * m_cdg013(m)))); deriv220 += (m_occno(m) * (2 * (2 * ipow(m_cdg110(m), 2) + 2 * m_cdg100(m) * m_cdg120(m) + m_cdg020(m) * m_cdg200(m) + 2 * m_cdg010(m) * m_cdg210(m) + m_cdg000(m) * m_cdg220(m)))); deriv202 += (m_occno(m) * (2 * (2 * ipow(m_cdg101(m), 2) + 2 * m_cdg100(m) * m_cdg102(m) + m_cdg002(m) * m_cdg200(m) + 2 * m_cdg001(m) * m_cdg201(m) + m_cdg000(m) * m_cdg202(m)))); deriv022 += (m_occno(m) * (2 * (2 * ipow(m_cdg011(m), 2) + 2 * m_cdg010(m) * m_cdg012(m) + m_cdg002(m) * m_cdg020(m) + 2 * m_cdg001(m) * m_cdg021(m) + m_cdg000(m) * m_cdg022(m)))); deriv211 += (m_occno(m) * (2 * (2 * m_cdg101(m) * m_cdg110(m) + 2 * m_cdg100(m) * m_cdg111(m) + m_cdg011(m) * m_cdg200(m) + m_cdg010(m) * m_cdg201(m) + m_cdg001(m) * m_cdg210(m) + m_cdg000(m) * m_cdg211(m)))); deriv121 += (m_occno(m) * (2 * (m_cdg021(m) * m_cdg100(m) + m_cdg020(m) * m_cdg101(m) + 2 * m_cdg011(m) * m_cdg110(m) + 2 * m_cdg010(m) * m_cdg111(m) + m_cdg001(m) * m_cdg120(m) + m_cdg000(m) * m_cdg121(m)))); deriv112 += (m_occno(m) * (2 * (m_cdg012(m) * m_cdg100(m) + 2 * m_cdg011(m) * m_cdg101(m) + m_cdg010(m) * m_cdg102(m) + m_cdg002(m) * m_cdg110(m) + 2 * m_cdg001(m) * m_cdg111(m) + m_cdg000(m) * m_cdg112(m)))); } gValue(0) = deriv300 + deriv120 + deriv102; gValue(1) = deriv210 + deriv030 + deriv012; gValue(2) = deriv201 + deriv021 + deriv003; hValue(0, 0) = deriv400 + deriv220 + deriv202; hValue(1, 1) = deriv220 + deriv040 + deriv022; hValue(2, 2) = deriv202 + deriv022 + deriv004; hValue(0, 1) = deriv310 + deriv130 + deriv112; hValue(0, 2) = deriv301 + deriv121 + deriv103; hValue(1, 2) = deriv211 + deriv031 + deriv013; hValue(1, 0) = hValue(0, 1); hValue(2, 0) = hValue(0, 2); hValue(2, 1) = hValue(1, 2); value(0, 0) = gValue(0); value(1, 0) = gValue(1); value(2, 0) = gValue(2); value(0, 1) = hValue(0, 0); value(1, 1) = hValue(1, 0); value(2, 1) = hValue(2, 0); value(0, 2) = hValue(0, 1); value(1, 2) = hValue(1, 1); value(2, 2) = hValue(2, 1); value(0, 3) = hValue(0, 2); value(1, 3) = hValue(1, 2); value(2, 3) = hValue(2, 2); return value; } qreal QTAIMWavefunctionEvaluator::kineticEnergyDensityG(Matrix xyz) { qreal value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; } } } value = zero; for (qint64 m = 0; m < m_nmo; ++m) { value += (0.5) * (m_occno(m) * (ipow(m_cdg100(m), 2) + ipow(m_cdg010(m), 2) + ipow(m_cdg001(m), 2))); } return value; } qreal QTAIMWavefunctionEvaluator::kineticEnergyDensityK( const Matrix xyz) { qreal value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; } } } value = 0.0; for (qint64 m = 0; m < m_nmo; ++m) { value += (0.25) * (m_occno(m) * (2 * m_cdg000(m) * (m_cdg200(m) + m_cdg020(m) + m_cdg002(m)))); } return value; } Matrix QTAIMWavefunctionEvaluator::quantumStressTensor( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; } } } value.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { value(0, 0) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg200(m) - 2 * ipow(m_cdg100(m), 2))); value(0, 1) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg110(m) - 2 * m_cdg100(m) * m_cdg010(m))); value(0, 2) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg101(m) - 2 * m_cdg100(m) * m_cdg001(m))); value(1, 1) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg020(m) - 2 * ipow(m_cdg010(m), 2))); value(1, 2) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg011(m) - 2 * m_cdg010(m) * m_cdg001(m))); value(2, 2) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg002(m) - 2 * ipow(m_cdg001(m), 2))); } value(1, 0) = value(0, 1); value(2, 0) = value(0, 2); value(2, 1) = value(1, 2); return 0.25 * value; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.h000066400000000000000000000102531516317240700322760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMWAVEFUNCTIONEVALUATOR_H #define QTAIMWAVEFUNCTIONEVALUATOR_H #include "qtaimwavefunction.h" #include using namespace Eigen; namespace Avogadro::QtPlugins { class QTAIMWavefunctionEvaluator { public: EIGEN_MAKE_ALIGNED_OPERATOR_NEW explicit QTAIMWavefunctionEvaluator(QTAIMWavefunction& wfn); qreal molecularOrbital(const qint64 mo, const Matrix xyz); qreal electronDensity(const Matrix xyz); Matrix gradientOfElectronDensity(const Matrix xyz); Matrix hessianOfElectronDensity(const Matrix xyz); Matrix gradientAndHessianOfElectronDensity( const Matrix xyz); qreal laplacianOfElectronDensity(const Matrix xyz); qreal electronDensityLaplacian(const Matrix xyz) { return laplacianOfElectronDensity(xyz); } Matrix gradientOfElectronDensityLaplacian( const Matrix xyz); Matrix hessianOfElectronDensityLaplacian( const Matrix xyz); Matrix gradientAndHessianOfElectronDensityLaplacian( const Matrix xyz); qreal kineticEnergyDensityG(const Matrix xyz); qreal kineticEnergyDensityK(const Matrix xyz); Matrix quantumStressTensor(const Matrix xyz); private: qint64 m_nmo; qint64 m_nprim; qint64 m_nnuc; // qint64 m_noccmo; // number of (significantly) occupied molecular // orbitals Matrix m_nucxcoord; Matrix m_nucycoord; Matrix m_nuczcoord; Matrix m_nucz; Matrix m_X0; Matrix m_Y0; Matrix m_Z0; Matrix m_xamom; Matrix m_yamom; Matrix m_zamom; Matrix m_alpha; Matrix m_occno; Matrix m_orbe; Matrix m_coef; qreal m_totalEnergy; qreal m_virialRatio; qreal m_cutoff; Matrix m_cdg000; Matrix m_cdg100; Matrix m_cdg010; Matrix m_cdg001; Matrix m_cdg200; Matrix m_cdg110; Matrix m_cdg101; Matrix m_cdg020; Matrix m_cdg011; Matrix m_cdg002; Matrix m_cdg300; Matrix m_cdg120; Matrix m_cdg102; Matrix m_cdg210; Matrix m_cdg030; Matrix m_cdg012; Matrix m_cdg201; Matrix m_cdg021; Matrix m_cdg003; Matrix m_cdg111; Matrix m_cdg400; Matrix m_cdg220; Matrix m_cdg202; Matrix m_cdg310; Matrix m_cdg130; Matrix m_cdg112; Matrix m_cdg301; Matrix m_cdg121; Matrix m_cdg103; Matrix m_cdg040; Matrix m_cdg022; Matrix m_cdg211; Matrix m_cdg031; Matrix m_cdg013; Matrix m_cdg004; static qreal ipow(qreal a, qint64 n) { return (qreal)pow(a, (int)n); } }; } // namespace Avogadro::QtPlugins #endif // QTAIMWAVEFUNCTIONEVALUATOR_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/test/000077500000000000000000000000001516317240700254145ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/test/c4h4.wfn000066400000000000000000001023651516317240700267010ustar00rootroot00000000000000Tetrahedrane 6-31G* at 6-31G* geometry 1/11/91 JRC GAUSSIAN 14 MOL ORBITALS 128 PRIMITIVES 8 NUCLEI C 1 (CENTRE 1) 0.97775600 0.97775600 0.97775600 CHARGE = 6.0 C 2 (CENTRE 2) -0.97775600 -0.97775600 0.97775600 CHARGE = 6.0 C 3 (CENTRE 3) 0.97775600 -0.97775600 -0.97775600 CHARGE = 6.0 C 4 (CENTRE 4) -0.97775600 0.97775600 -0.97775600 CHARGE = 6.0 H 5 (CENTRE 5) 2.13806500 2.13806500 2.13806500 CHARGE = 1.0 H 6 (CENTRE 6) -2.13806500 -2.13806500 2.13806500 CHARGE = 1.0 H 7 (CENTRE 7) 2.13806500 -2.13806500 -2.13806500 CHARGE = 1.0 H 8 (CENTRE 8) -2.13806500 2.13806500 -2.13806500 CHARGE = 1.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 CENTRE ASSIGNMENTS 7 7 7 7 8 8 8 8 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 TYPE ASSIGNMENTS 3 3 3 4 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 EXPONENTS 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 EXPONENTS 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.1687145E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.3047525E+04 0.4573695E+03 EXPONENTS 0.1039487E+03 0.2921016E+02 0.9286663E+01 0.3163927E+01 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 EXPONENTS 0.5442493E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 EXPONENTS 0.9286663E+01 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 EXPONENTS 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.1687145E+00 0.1687145E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.3047525E+04 EXPONENTS 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 0.3163927E+01 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 EXPONENTS 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 EXPONENTS 0.1612778E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 EXPONENTS 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 0.1873114E+02 EXPONENTS 0.2825394E+01 0.6401217E+00 0.1612778E+00 MO 1 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2380343 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.24675943E-03 0.17853802E-03 0.17853802E-03 0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 0.30335721E-05 0.30335722E-05 0.30335721E-05 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 0.61745883E-03 0.47342827E-03 0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.24675943E-03 -0.17853802E-03 -0.17853802E-03 0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 0.30335721E-05 -0.30335721E-05 -0.30335722E-05 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.24675943E-03 0.17853802E-03 -0.17853802E-03 -0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 -0.30335722E-05 -0.30335722E-05 0.30335722E-05 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.24675943E-03 -0.17853802E-03 0.17853802E-03 -0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 -0.30335721E-05 0.30335721E-05 -0.30335721E-05 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 MO 2 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689 -0.13360531E+00 -0.24647571E+00 -0.39788822E+00 -0.51793224E+00 -0.44195252E+00 -0.15259558E+00 0.27798091E-02 0.12812115E-02 -0.35926507E-02 0.40226024E-03 0.30842764E-03 0.15392701E-03 0.39414475E-03 0.30220519E-03 0.15082157E-03 0.39124026E-03 0.29997822E-03 0.14971015E-03 0.87725150E-03 0.46622737E-04 -0.19861053E-03 -0.28637795E-03 0.65105547E-03 0.24361944E-03 0.97800673E-04 -0.47048277E-04 -0.23342264E-03 -0.75417612E-03 -0.24930352E+00 -0.45991631E+00 -0.74244752E+00 -0.96644607E+00 -0.82467018E+00 -0.28473880E+00 0.51870406E-02 0.23907023E-02 -0.67037788E-02 -0.73635732E-03 -0.56459209E-03 -0.28177102E-03 -0.74447281E-03 -0.57081453E-03 -0.28487646E-03 0.73528041E-03 0.56376638E-03 0.28135893E-03 0.16369251E-02 0.34355622E-03 0.98322959E-04 -0.37609819E-03 0.49951990E-03 0.90695593E-03 0.44545394E-03 -0.42388701E-03 0.10137435E-02 0.49298997E-03 0.44833820E+00 0.82709643E+00 0.13351901E+01 0.17380208E+01 0.14830563E+01 0.51206369E+00 -0.93281815E-02 -0.42993503E-02 0.12055827E-01 -0.13282068E-02 -0.10183847E-02 -0.50824535E-03 0.13300344E-02 0.10197860E-02 0.50894468E-03 0.13271299E-02 0.10175590E-02 0.50783326E-03 -0.29437854E-02 0.49790122E-03 -0.44267576E-03 -0.53044319E-03 -0.10975850E-02 -0.11893378E-02 -0.10435190E-02 -0.10721596E-02 -0.12585340E-02 0.11412626E-02 -0.65429372E-01 -0.12070441E+00 -0.19485435E+00 -0.25364247E+00 -0.21643358E+00 -0.74729313E-01 0.13613318E-02 0.62743659E-03 -0.17593977E-02 -0.18958922E-03 -0.14536499E-03 -0.72547319E-04 0.19141680E-03 0.14676626E-03 0.73246649E-04 -0.20060920E-03 -0.15381441E-03 -0.76764171E-04 0.42960878E-03 0.20096773E-03 -0.14574228E-03 -0.13203295E-03 -0.52990380E-04 0.38762430E-04 0.50026442E-03 0.60122434E-03 -0.11367898E-04 -0.10590350E-03 0.33934163E-04 0.57558764E-04 0.65528618E-04 -0.16786044E-04 0.63320134E-04 0.10740293E-03 0.12227444E-03 -0.31322256E-04 -0.11387258E-03 -0.19314945E-03 -0.21989382E-03 0.56328784E-04 0.16618284E-04 0.28187755E-04 0.32090762E-04 -0.82204838E-05 MO 3 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689 0.41906123E+00 0.77308614E+00 0.12480007E+01 0.16245261E+01 0.13862111E+01 0.47862538E+00 -0.87190411E-02 -0.40185981E-02 0.11268569E-01 -0.12393200E-02 -0.95023195E-03 -0.47423234E-03 -0.12443521E-02 -0.95409025E-03 -0.47615790E-03 -0.12414499E-02 -0.95186503E-03 -0.47504736E-03 -0.27515530E-02 0.53046067E-03 0.37840097E-03 0.46609931E-03 -0.91779785E-03 -0.11704332E-02 -0.10247293E-02 0.10652259E-02 0.12514535E-02 0.92855433E-03 -0.12338996E+00 -0.22763039E+00 -0.36746603E+00 -0.47833158E+00 -0.40816121E+00 -0.14092826E+00 0.25672673E-02 0.11832511E-02 -0.33179597E-02 -0.36011201E-03 -0.27611105E-03 -0.13779877E-03 -0.36514412E-03 -0.27996935E-03 -0.13972433E-03 0.37158279E-03 0.28490611E-03 0.14218812E-03 0.81017761E-03 0.30117711E-03 0.14911741E-03 0.45445851E-04 0.29356401E-04 0.28199180E-03 0.60524356E-03 -0.70158307E-03 0.28842746E-03 -0.34471718E-04 0.11448112E-01 0.21119531E-01 0.34093471E-01 0.44379569E-01 0.37869167E-01 0.13075313E-01 -0.23819087E-03 -0.10978195E-03 0.30784006E-03 -0.27241759E-04 -0.20887253E-04 -0.10424203E-04 0.35810339E-04 0.27457097E-04 0.13703016E-04 0.38712536E-04 0.29682317E-04 0.14813557E-04 -0.75168219E-04 0.21436981E-03 0.44554818E-04 0.13225316E-03 0.30700967E-03 -0.12317350E-03 -0.26887749E-03 -0.33697909E-03 -0.15075143E-03 -0.39907570E-03 -0.30711937E+00 -0.56657528E+00 -0.91462817E+00 -0.11905741E+01 -0.10159191E+01 -0.35077243E+00 0.63899647E-02 0.29451289E-02 -0.82584489E-02 -0.90644972E-03 -0.69500816E-03 -0.34685778E-03 0.91501831E-03 0.70157800E-03 0.35013659E-03 -0.90857963E-03 -0.69664123E-03 -0.34767280E-03 0.20165436E-02 0.44365337E-03 -0.18472874E-03 0.37929200E-03 0.58143178E-03 0.10116150E-02 0.68836319E-03 0.70062187E-03 -0.11137775E-02 0.56395035E-03 -0.10643658E-03 -0.18053658E-03 -0.20553452E-03 0.52650453E-04 0.31339586E-04 0.53157870E-04 0.60518356E-04 -0.15502597E-04 -0.29076845E-05 -0.49319833E-05 -0.56148887E-05 0.14383298E-05 0.78004676E-04 0.13231069E-03 0.15063105E-03 -0.38586185E-04 MO 4 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689 -0.14319701E+00 -0.26417052E+00 -0.42645312E+00 -0.55511525E+00 -0.47368085E+00 -0.16355061E+00 0.29793751E-02 0.13731913E-02 -0.38505716E-02 0.42533783E-03 0.32612207E-03 0.16275777E-03 0.41818344E-03 0.32063654E-03 0.16002010E-03 0.42938655E-03 0.32922637E-03 0.16430703E-03 0.94023051E-03 -0.12532999E-03 -0.34152068E-03 -0.29858984E-05 0.40654850E-03 0.47364448E-04 0.60981372E-03 -0.69586773E-03 0.23011784E-04 -0.43606972E-03 0.36958185E+00 0.68180636E+00 0.11006469E+01 0.14327152E+01 0.12225385E+01 0.42211315E+00 -0.76895670E-02 -0.35441144E-02 0.99380668E-02 0.10985157E-02 0.84227219E-03 0.42035285E-03 0.10913613E-02 0.83678666E-03 0.41761519E-03 -0.10954125E-02 -0.83989282E-03 -0.41916538E-03 -0.24266718E-02 -0.30088417E-03 -0.51707486E-03 0.39465762E-03 -0.10867962E-02 -0.72761210E-03 -0.93099883E-03 0.97429593E-03 -0.71434261E-03 -0.11734241E-02 0.11326904E+00 0.20895925E+00 0.33732502E+00 0.43909695E+00 0.37468223E+00 0.12936877E+00 -0.23566899E-02 -0.10861962E-02 0.30458076E-02 -0.33728951E-03 -0.25861220E-03 -0.12906561E-03 0.32918963E-03 0.25240173E-03 0.12596615E-03 0.34039275E-03 0.26099157E-03 0.13025308E-03 -0.74372367E-03 0.73551176E-04 -0.31831250E-03 0.20222281E-04 -0.36408798E-03 0.42563974E-04 -0.51988530E-03 -0.59838982E-03 0.12048969E-03 0.39926164E-03 -0.33965388E+00 -0.62659509E+00 -0.10115188E+01 -0.13166969E+01 -0.11235398E+01 -0.38793130E+00 0.70668818E-02 0.32571194E-02 -0.91333027E-02 -0.10104674E-02 -0.77476232E-03 -0.38666070E-03 0.10023675E-02 0.76855185E-03 0.38356124E-03 -0.10064187E-02 -0.77165802E-03 -0.38511143E-03 0.22301649E-02 0.24910535E-03 -0.49386668E-03 0.37144944E-03 0.10443356E-02 0.63768368E-03 0.84107041E-03 0.87681802E-03 -0.61686470E-03 0.11366160E-02 0.36370340E-04 0.61690981E-04 0.70233001E-04 -0.17991135E-04 -0.93869405E-04 -0.15922028E-03 -0.18126666E-03 0.46433912E-04 -0.28768991E-04 -0.48797653E-04 -0.55554403E-04 0.14231014E-04 0.86268055E-04 0.14632695E-03 0.16658806E-03 -0.42673790E-04 MO 5 MO 0. OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. ENERGY = -0.8053912 -0.96389409E-02 -0.17781964E-01 -0.28705603E-01 -0.37366166E-01 -0.31884617E-01 -0.11008992E-01 -0.13914564E-01 -0.64132098E-02 0.17983310E-01 -0.11652462E+00 -0.89343685E-01 -0.44588761E-01 -0.18258901E-01 -0.13999767E-01 -0.69868648E-02 0.16412115E+00 0.12583769E+00 0.62801825E-01 0.76330712E-02 -0.37176846E-02 -0.66911543E-03 0.49889942E-02 0.12085810E-01 0.31759623E-02 -0.13360614E-01 0.24911443E-01 -0.13498814E-02 -0.15499389E-01 -0.69432276E-01 -0.12808899E+00 -0.20677535E+00 -0.26916006E+00 -0.22967477E+00 -0.79301179E-01 -0.10023091E+00 -0.46196336E-01 0.12953935E+00 -0.84750158E-01 -0.64981046E-01 -0.32430096E-01 0.13515558E-01 0.10362872E-01 0.51717996E-02 0.14009343E+00 0.10741476E+00 0.53607492E-01 0.54983376E-01 -0.18898018E-02 0.11587674E-02 0.36067566E-02 0.32676048E-02 0.12177453E-01 -0.17504234E-02 0.29387282E-01 -0.72687689E-02 -0.21418276E-01 0.62661333E-01 0.11559792E+00 0.18661089E+00 0.24291193E+00 0.20727719E+00 0.71567833E-01 0.90456527E-01 0.41691331E-01 -0.11690684E+00 -0.87471035E-01 -0.67067242E-01 -0.33471254E-01 -0.39565741E-01 -0.30336500E-01 -0.15140040E-01 0.14281431E+00 0.10950095E+00 0.54648650E-01 -0.49621470E-01 -0.20463252E-02 -0.18948297E-02 0.37632800E-02 -0.19528773E-02 -0.13471425E-01 0.30651509E-02 0.28880442E-01 0.26191175E-02 -0.20911436E-01 0.16409884E-01 0.30273032E-01 0.48870060E-01 0.63614298E-01 0.54282196E-01 0.18742338E-01 0.23688949E-01 0.10918215E-01 -0.30615815E-01 -0.11924549E+00 -0.91429881E-01 -0.45629919E-01 -0.77912824E-02 -0.59738611E-02 -0.29813754E-02 0.16140027E+00 0.12375149E+00 0.61760667E-01 -0.12994977E-01 -0.38742080E-02 -0.66946879E-04 0.48324709E-02 -0.13400538E-01 -0.18819898E-02 0.12045886E-01 0.25418283E-01 -0.32997700E-02 -0.14992549E-01 0.48009308E-02 0.81432872E-02 0.92708447E-02 0.18997559E-02 0.34582591E-01 0.58658619E-01 0.66780765E-01 0.13684530E-01 -0.31210142E-01 -0.52938309E-01 -0.60268393E-01 -0.12350033E-01 -0.81733791E-02 -0.13863598E-01 -0.15783216E-01 -0.32342531E-02 MO 7 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912 -0.74474309E-01 -0.13739056E+00 -0.22179096E+00 -0.28870593E+00 -0.24635329E+00 -0.85059872E-01 -0.10750948E+00 -0.49551022E-01 0.13894624E+00 0.13361497E+00 0.10244749E+00 0.51128476E-01 0.99095615E-02 0.75980232E-02 0.37919461E-02 0.83149717E-01 0.63753929E-01 0.31817679E-01 0.58976159E-01 0.33520723E-02 -0.48573120E-03 0.17864517E-02 -0.36770411E-03 0.10848786E-01 0.42080297E-02 0.21856993E-01 0.11310974E-01 0.29123602E-01 0.21251560E-01 0.39204978E-01 0.63288991E-01 0.82383461E-01 0.70297957E-01 0.24272195E-01 0.30678286E-01 0.14139594E-01 -0.39648898E-01 0.15500233E+00 0.11884595E+00 0.59312459E-01 0.31296915E-01 0.23996489E-01 0.11975930E-01 0.12161678E+00 0.93248035E-01 0.46537305E-01 -0.16829097E-01 0.45824182E-02 0.74461472E-03 0.39993388E-02 0.10702071E-01 -0.51441884E-03 -0.14379252E-01 0.14691419E-01 0.73269772E-02 0.25139605E-01 -0.25012937E-02 -0.46143984E-02 -0.74490698E-02 -0.96964755E-02 -0.82740201E-02 -0.28568203E-02 -0.36108127E-02 -0.16642203E-02 0.46666474E-02 0.16253705E+00 0.12462310E+00 0.62195660E-01 0.40841906E-01 0.31314983E-01 0.15628371E-01 0.11408206E+00 0.87470888E-01 0.43654104E-01 0.19807729E-02 0.50158666E-02 0.12937075E-02 0.35658904E-02 -0.14342847E-01 0.40977199E-02 0.10738476E-01 0.16094973E-01 0.55489539E-02 0.23736051E-01 0.55724043E-01 0.10279998E+00 0.16595104E+00 0.21601895E+00 0.18432936E+00 0.63644498E-01 0.80442008E-01 0.37075648E-01 -0.10396399E+00 0.14114969E+00 0.10822463E+00 0.54011676E-01 0.62229259E-01 0.47713449E-01 0.23812355E-01 0.90684438E-01 0.69531075E-01 0.34700880E-01 -0.44127835E-01 0.37855206E-02 0.25240534E-02 0.22199001E-02 0.40084805E-02 -0.14432087E-01 -0.56725327E-03 0.20453439E-01 0.15649572E-02 0.27720048E-01 0.37093910E-01 0.62918292E-01 0.71630251E-01 0.14678273E-01 -0.10584904E-01 -0.17954001E-01 -0.20439996E-01 -0.41885076E-02 0.12458358E-02 0.21131733E-02 0.24057731E-02 0.49298440E-03 -0.27754841E-01 -0.47077464E-01 -0.53596028E-01 -0.10982750E-01 MO 8 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912 -0.34536587E-01 -0.63713259E-01 -0.10285295E+00 -0.13388399E+00 -0.11424345E+00 -0.39445517E-01 -0.49856260E-01 -0.22978705E-01 0.64434686E-01 -0.54903460E-01 -0.42096491E-01 -0.21009099E-01 0.18442817E+00 0.14140782E+00 0.70572415E-01 -0.24407188E-01 -0.18713884E-01 -0.93395396E-02 0.27349501E-01 -0.20711301E-02 0.53538302E-02 -0.11250220E-02 0.10425820E-01 -0.11274611E-01 0.76606938E-02 0.10691756E-02 0.31139861E-01 -0.33220531E-02 0.39492253E-01 0.72855495E-01 0.11761136E+00 0.15309504E+00 0.13063628E+00 0.45105567E-01 0.57010151E-01 0.26275926E-01 -0.73680441E-01 -0.56894875E-01 -0.43623381E-01 -0.21771125E-01 0.18243676E+00 0.13988093E+00 0.69810389E-01 0.53410106E-02 0.40951482E-02 0.20437659E-02 -0.31273890E-01 -0.21856899E-02 0.52392704E-02 0.58629661E-03 -0.11388072E-01 0.10312360E-01 -0.67136329E-02 -0.44722640E-02 0.31510818E-01 -0.29510959E-02 0.53846158E-01 0.99335647E-01 0.16035853E+00 0.20873916E+00 0.17811751E+00 0.61499695E-01 0.77731134E-01 0.35826208E-01 -0.10046043E+00 -0.19387201E-01 -0.14864876E-01 -0.74186149E-02 0.17666870E+00 0.13545835E+00 0.67603210E-01 -0.32166663E-01 -0.24663357E-01 -0.12308744E-01 -0.42640739E-01 -0.27993513E-04 0.49074524E-02 -0.15713997E-02 -0.67356325E-02 0.75252335E-02 -0.11410071E-01 0.25145963E-02 0.32585282E-01 -0.99379563E-02 -0.58801824E-01 -0.10847788E+00 -0.17511694E+00 -0.22795022E+00 -0.19451034E+00 -0.67159745E-01 -0.84885025E-01 -0.39123430E-01 0.10970618E+00 -0.17395786E-01 -0.13337985E-01 -0.66565894E-02 0.17467728E+00 0.13393146E+00 0.66841185E-01 0.13100486E-01 0.10044622E-01 0.50129702E-02 0.46565127E-01 0.86566212E-04 0.47928927E-02 0.10326744E-02 0.76978840E-02 -0.65629820E-02 0.10463011E-01 -0.59176848E-02 0.32956239E-01 -0.10308913E-01 0.17201865E-01 0.29177619E-01 0.33217688E-01 0.68068770E-02 -0.19670166E-01 -0.33364325E-01 -0.37984105E-01 -0.77835980E-02 -0.26819510E-01 -0.45490966E-01 -0.51789856E-01 -0.10612635E-01 0.29287812E-01 0.49677672E-01 0.56556273E-01 0.11589356E-01 MO 9 MO 0. OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. ENERGY = -0.3317291 -0.36495206E-14 -0.67326530E-14 -0.10868589E-13 -0.14147674E-13 -0.12072236E-13 -0.41682530E-14 -0.18851650E-14 -0.86887083E-15 0.24364045E-14 -0.63288358E-01 -0.48525499E-01 -0.24217625E-01 -0.24830844E+00 -0.19038716E+00 -0.95016539E-01 0.31159680E+00 0.23891266E+00 0.11923416E+00 0.65142744E-13 -0.59376216E-02 -0.23295936E-01 0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 0.38365817E-01 -0.30573344E-01 -0.77924727E-02 -0.20221178E-14 -0.37304124E-14 -0.60220424E-14 -0.78389098E-14 -0.66889560E-14 -0.23095357E-14 -0.88316400E-14 -0.40704948E-14 0.11414092E-13 0.63288358E-01 0.48525499E-01 0.24217625E-01 0.24830844E+00 0.19038716E+00 0.95016539E-01 0.31159680E+00 0.23891266E+00 0.11923416E+00 0.34430177E-13 0.59376216E-02 0.23295936E-01 0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 0.38365817E-01 0.30573344E-01 0.77924727E-02 0.57685046E-16 0.10641765E-15 0.17179108E-15 0.22362094E-15 0.19081615E-15 0.65884232E-16 -0.14807045E-13 -0.68245535E-14 0.19136760E-13 -0.63288358E-01 -0.48525499E-01 -0.24217625E-01 0.24830844E+00 0.19038716E+00 0.95016539E-01 -0.31159680E+00 -0.23891266E+00 -0.11923416E+00 0.55760697E-14 -0.59376216E-02 0.23295936E-01 -0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 -0.38365817E-01 0.30573344E-01 -0.77924727E-02 -0.15149400E-14 -0.27947685E-14 -0.45116230E-14 -0.58727926E-14 -0.50112645E-14 -0.17302692E-14 -0.70233960E-14 -0.32370768E-14 0.90771012E-14 0.63288358E-01 0.48525499E-01 0.24217625E-01 -0.24830844E+00 -0.19038716E+00 -0.95016539E-01 -0.31159680E+00 -0.23891266E+00 -0.11923416E+00 0.36183546E-13 0.59376216E-02 -0.23295936E-01 -0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 -0.38365817E-01 -0.30573344E-01 0.77924727E-02 -0.55690635E-15 -0.94461857E-15 -0.10754149E-14 -0.25677310E-13 -0.97427039E-15 -0.16525470E-14 -0.18813663E-14 -0.37625618E-13 -0.24248538E-14 -0.41130109E-14 -0.46825176E-14 -0.46528245E-13 -0.12681288E-14 -0.21509864E-14 -0.24488220E-14 -0.35763604E-13 MO 14 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3317291 0.39348459E-14 0.72590224E-14 0.11718313E-13 0.15253762E-13 0.13016062E-13 0.44941335E-14 0.47891249E-13 0.22073033E-13 -0.61895088E-13 0.32326144E+00 0.24785637E+00 0.12369770E+00 -0.21644005E+00 -0.16595250E+00 -0.82821928E-01 -0.10682140E+00 -0.81903871E-01 -0.40875772E-01 -0.34844584E-13 0.30327918E-01 -0.20306090E-01 -0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 -0.13152542E-01 -0.26649501E-01 0.39802043E-01 0.38265503E-14 0.70592381E-14 0.11395799E-13 0.14833944E-13 0.12657832E-13 0.43704451E-14 0.48856706E-13 0.22518011E-13 -0.63142854E-13 -0.32326144E+00 -0.24785637E+00 -0.12369770E+00 0.21644005E+00 0.16595250E+00 0.82821928E-01 -0.10682140E+00 -0.81903871E-01 -0.40875772E-01 -0.33404032E-13 -0.30327918E-01 0.20306090E-01 -0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 -0.13152542E-01 0.26649501E-01 -0.39802043E-01 0.31654048E-14 0.58395537E-14 0.94268504E-14 0.12270958E-13 0.10470831E-13 0.36153263E-14 0.47551396E-13 0.21916395E-13 -0.61455859E-13 0.32326144E+00 0.24785637E+00 0.12369770E+00 0.21644005E+00 0.16595250E+00 0.82821928E-01 0.10682140E+00 0.81903871E-01 0.40875772E-01 -0.33164406E-13 0.30327918E-01 0.20306090E-01 0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 0.13152542E-01 0.26649501E-01 0.39802043E-01 0.37820742E-14 0.69771885E-14 0.11263346E-13 0.14661529E-13 0.12510709E-13 0.43196473E-14 0.44902243E-13 0.20695403E-13 -0.58032070E-13 -0.32326144E+00 -0.24785637E+00 -0.12369770E+00 -0.21644005E+00 -0.16595250E+00 -0.82821928E-01 0.10682140E+00 0.81903871E-01 0.40875772E-01 -0.44495561E-13 -0.30327918E-01 -0.20306090E-01 0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 0.13152542E-01 -0.26649501E-01 -0.39802043E-01 -0.19063144E-14 -0.32334701E-14 -0.36811914E-14 0.42081563E-13 -0.12518890E-14 -0.21234406E-14 -0.24174621E-14 0.41194256E-13 -0.79033825E-15 -0.13405633E-14 -0.15261839E-14 0.42572468E-13 -0.11195100E-14 -0.18989009E-14 -0.21618315E-14 0.38501656E-13 END DATA THE RHF ENERGY = -153.597882732801 THE VIRIAL(-V/T)= 2.00054039 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/qtaim/test/hco2.wfn000066400000000000000000000571401516317240700267720ustar00rootroot00000000000000Formate anion 6-31++G** GAUSSIAN 12 MOL ORBITALS 104 PRIMITIVES 4 NUCLEI C 1 (CENTRE 1) 0.00000000 0.00000000 0.57942804 CHARGE = 6.0 O 2 (CENTRE 2) 0.00000000 2.11695431 -0.38686460 CHARGE = 8.0 O 3 (CENTRE 3) 0.00000000 -2.11695431 -0.38686460 CHARGE = 8.0 H 4 (CENTRE 4) 0.00000000 0.00000000 2.71326541 CHARGE = 1.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 2 3 4 EXPONENTS 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 EXPONENTS 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.1687145E+00 0.4380000E-01 0.4380000E-01 0.4380000E-01 EXPONENTS 0.4380000E-01 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.5484672E+04 0.8252349E+03 0.1880470E+03 EXPONENTS 0.5296450E+02 0.1689757E+02 0.5799635E+01 0.1553962E+02 0.3599934E+01 EXPONENTS 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 EXPONENTS 0.3599934E+01 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 EXPONENTS 0.2700058E+00 0.2700058E+00 0.2700058E+00 0.2700058E+00 0.8450000E-01 EXPONENTS 0.8450000E-01 0.8450000E-01 0.8450000E-01 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.5484672E+04 EXPONENTS 0.8252349E+03 0.1880470E+03 0.5296450E+02 0.1689757E+02 0.5799635E+01 EXPONENTS 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 0.3599934E+01 EXPONENTS 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 EXPONENTS 0.3599934E+01 0.1013762E+01 0.2700058E+00 0.2700058E+00 0.2700058E+00 EXPONENTS 0.2700058E+00 0.8450000E-01 0.8450000E-01 0.8450000E-01 0.8450000E-01 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 EXPONENTS 0.3600000E-01 0.1100000E+01 0.1100000E+01 0.1100000E+01 MO 1 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -20.2999736 -0.12188442E-13 -0.22485295E-13 -0.36298238E-13 -0.47249521E-13 -0.40318102E-13 -0.13920872E-13 -0.41960794E-12 -0.19339692E-12 0.54230514E-12 -0.39273770E-15 -0.30112636E-15 -0.15028316E-15 0.29917662E-03 0.22938966E-03 0.11448152E-03 -0.63478413E-13 -0.48671221E-13 -0.24290350E-13 0.22529127E-12 0.13071387E-15 0.10185809E-03 -0.62728986E-13 0.10023463E-12 -0.29802626E-16 0.15830967E-04 -0.98332270E-14 -0.24693743E-12 -0.14752123E-11 -0.25765489E-12 0.18297189E-14 -0.66615675E-15 0.54705851E-03 0.58494882E+00 0.10766181E+01 0.17421713E+01 0.22901329E+01 0.19642337E+01 0.67160487E+00 -0.91594649E-02 -0.40869354E-02 0.12068775E-01 0.13518265E-14 0.10415094E-14 0.45727874E-15 -0.28829800E-02 -0.22211807E-02 -0.97521795E-03 0.12404677E-02 0.95571350E-03 0.41960970E-03 0.87774840E-03 -0.32212280E-15 0.15512643E-03 -0.10153969E-03 -0.16545660E-03 0.61506469E-16 -0.37903054E-05 -0.37038128E-05 -0.33187344E-02 -0.31410279E-02 -0.33038069E-02 0.74824127E-15 -0.24267011E-15 0.10744751E-03 -0.58494882E+00 -0.10766181E+01 -0.17421713E+01 -0.22901329E+01 -0.19642337E+01 -0.67160487E+00 0.91594649E-02 0.40869354E-02 -0.12068775E-01 0.12737899E-14 0.98138644E-15 0.43088151E-15 -0.28829800E-02 -0.22211807E-02 -0.97521795E-03 -0.12404677E-02 -0.95571350E-03 -0.41960970E-03 -0.87774839E-03 -0.13253444E-15 0.15512643E-03 0.10153969E-03 0.16545660E-03 0.23148336E-16 -0.37903054E-05 0.37038128E-05 0.33187344E-02 0.31410279E-02 0.33038069E-02 -0.14848270E-16 -0.68315079E-15 0.10744751E-03 -0.34702469E-13 -0.58861956E-13 -0.67012256E-13 0.22566017E-13 -0.31113147E-14 0.92067613E-15 -0.20220193E-03 0.19169822E-12 MO 2 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -20.2999400 -0.76032131E-05 -0.14026444E-04 -0.22643029E-04 -0.29474496E-04 -0.25150641E-04 -0.86839118E-05 -0.25352583E-03 -0.11684982E-03 0.32765910E-03 -0.46458861E-15 -0.35621708E-15 -0.17777729E-15 -0.49717214E-12 -0.38120007E-12 -0.19024555E-12 -0.36505553E-04 -0.27990143E-04 -0.13969043E-04 0.13379545E-03 0.15410457E-15 -0.16985819E-12 -0.37260932E-04 0.59582199E-04 -0.33013166E-17 -0.26264395E-13 -0.59799736E-05 -0.14837160E-03 -0.88805571E-03 -0.15585303E-03 0.91654207E-15 -0.56688934E-15 -0.90845593E-12 0.58494329E+00 0.10766079E+01 0.17421548E+01 0.22901113E+01 0.19642151E+01 0.67159852E+00 -0.91359783E-02 -0.40764557E-02 0.12037828E-01 -0.69384055E-15 -0.53456674E-15 -0.23470359E-15 -0.28671447E-02 -0.22089804E-02 -0.96986139E-03 0.13496592E-02 0.10398397E-02 0.45654563E-03 0.97103205E-03 0.32365768E-16 0.12453228E-03 -0.14888987E-04 -0.14163251E-03 -0.51015398E-17 -0.58826214E-06 0.49234601E-06 -0.34141266E-02 -0.32557299E-02 -0.31636818E-02 0.85810319E-15 -0.21994607E-15 -0.26326172E-03 0.58494329E+00 0.10766079E+01 0.17421548E+01 0.22901113E+01 0.19642151E+01 0.67159852E+00 -0.91359783E-02 -0.40764557E-02 0.12037828E-01 -0.93713542E-16 -0.72201232E-16 -0.31700230E-16 0.28671447E-02 0.22089804E-02 0.96986139E-03 0.13496592E-02 0.10398397E-02 0.45654563E-03 0.97103205E-03 -0.11050101E-15 -0.12453228E-03 -0.14888987E-04 -0.14163251E-03 -0.29425795E-17 0.58826216E-06 0.49234600E-06 -0.34141266E-02 -0.32557299E-02 -0.31636818E-02 -0.53710110E-15 0.19194431E-15 0.26326172E-03 -0.20738602E-04 -0.35176594E-04 -0.40047309E-04 0.13445219E-04 -0.14915103E-05 -0.62765065E-15 0.33685368E-12 0.11682620E-03 MO 3 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.1259858 0.53422217E+00 0.98553558E+00 0.15909600E+01 0.20709572E+01 0.17671515E+01 0.61015496E+00 -0.10842516E-01 -0.49973057E-02 0.14012967E-01 -0.26399094E-15 -0.20241151E-15 -0.10101753E-15 -0.67153739E-15 -0.51489227E-15 -0.25696733E-15 -0.51904345E-03 -0.39796960E-03 -0.19861472E-03 -0.24364266E-02 -0.44618693E-16 -0.11138516E-14 -0.14900667E-04 -0.34405146E-03 0.49907391E-17 -0.72656510E-16 -0.36041018E-04 -0.22405914E-02 -0.17736819E-03 -0.13078581E-02 0.25464249E-16 0.80735526E-16 -0.22785222E-14 -0.21118904E-03 -0.38870057E-03 -0.62899089E-03 -0.82682613E-03 -0.70916397E-03 -0.24247521E-03 -0.32654787E-03 -0.14570502E-03 0.43026889E-03 0.44005858E-15 0.33904142E-15 0.14885744E-15 -0.59465254E-03 -0.45814773E-03 -0.20115153E-03 0.28425497E-03 0.21900313E-03 0.96154171E-04 -0.39057537E-03 0.90780662E-16 0.19698398E-03 -0.14874850E-03 0.51083855E-03 -0.15573357E-16 -0.11842933E-03 0.10543451E-03 0.41231631E-03 0.62289754E-04 0.92118237E-04 -0.21381963E-15 0.15794712E-15 0.36723638E-03 -0.21118904E-03 -0.38870057E-03 -0.62899089E-03 -0.82682613E-03 -0.70916397E-03 -0.24247521E-03 -0.32654787E-03 -0.14570502E-03 0.43026889E-03 -0.56970734E-15 -0.43892879E-15 -0.19271338E-15 0.59465254E-03 0.45814773E-03 0.20115153E-03 0.28425497E-03 0.21900313E-03 0.96154171E-04 -0.39057537E-03 0.88802174E-16 -0.19698398E-03 -0.14874850E-03 0.51083855E-03 -0.16841347E-16 0.11842933E-03 0.10543451E-03 0.41231631E-03 0.62289754E-04 0.92118237E-04 0.85807874E-15 0.14026940E-16 -0.36723638E-03 -0.11890413E-04 -0.20168390E-04 -0.22960999E-04 0.23697920E-03 0.11546874E-03 0.43195428E-15 0.21925556E-14 0.50274602E-03 MO 4 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.1740934 -0.73231042E-01 -0.13509697E+00 -0.21808840E+00 -0.28388630E+00 -0.24224069E+00 -0.83639890E-01 -0.10522870E+00 -0.48499814E-01 0.13599854E+00 -0.28727776E-16 -0.22026636E-16 -0.10992835E-16 0.12100552E-13 0.92779359E-14 0.46303402E-14 -0.11901634E+00 -0.91254183E-01 -0.45542233E-01 0.10549147E-01 0.31762539E-16 -0.27780100E-14 0.49219789E-02 0.20754759E-02 0.25998815E-17 -0.53719651E-15 0.17045827E-03 -0.24548666E-01 0.31766034E-01 -0.17348874E-01 0.21249983E-15 0.68948723E-16 0.22101938E-15 -0.11052937E+00 -0.20343305E+00 -0.32919307E+00 -0.43273351E+00 -0.37115301E+00 -0.12690352E+00 -0.18013184E+00 -0.80374477E-01 0.23734691E+00 0.14708424E-14 0.11332048E-14 0.49753794E-15 -0.29446967E+00 -0.22687301E+00 -0.99609470E-01 0.11368823E+00 0.87590655E-01 0.38457016E-01 0.72481314E-01 0.23669280E-15 -0.12000654E-01 0.36696488E-02 -0.63902347E-03 -0.48889586E-16 0.13084694E-03 -0.35384531E-03 -0.10010288E-02 0.15647882E-01 -0.15052629E-02 -0.87594485E-16 -0.29313373E-17 -0.12142530E-01 -0.11052937E+00 -0.20343305E+00 -0.32919307E+00 -0.43273351E+00 -0.37115301E+00 -0.12690352E+00 -0.18013184E+00 -0.80374477E-01 0.23734691E+00 -0.15949994E-14 -0.12288610E-14 -0.53953618E-15 0.29446967E+00 0.22687301E+00 0.99609470E-01 0.11368823E+00 0.87590655E-01 0.38457016E-01 0.72481314E-01 -0.23399000E-15 0.12000654E-01 0.36696488E-02 -0.63902347E-03 0.27944600E-16 -0.13084694E-03 -0.35384531E-03 -0.10010288E-02 0.15647882E-01 -0.15052629E-02 -0.32611019E-16 -0.13048552E-16 0.12142530E-01 0.80895605E-02 0.13721426E-01 0.15621358E-01 -0.20758061E-02 -0.74912400E-03 -0.40079127E-16 0.88502528E-16 -0.12462681E-01 MO 5 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.0744921 0.18692576E-14 0.34484153E-14 0.55668115E-14 0.72463345E-14 0.61833103E-14 0.21349485E-14 0.31631417E-14 0.14578891E-14 -0.40880733E-14 0.85863809E-15 0.65834923E-15 0.32856241E-15 0.34495054E+00 0.26448620E+00 0.13199715E+00 0.24759331E-14 0.18983885E-14 0.94742889E-15 0.21014382E-14 0.12892468E-15 -0.41275671E-02 -0.69889242E-15 0.22560192E-15 0.30391526E-16 0.26353774E-03 -0.17884285E-15 0.21133158E-14 0.17535656E-14 0.21051693E-14 -0.33941281E-15 -0.21678398E-15 -0.64772949E-01 -0.12539442E+00 -0.23079267E+00 -0.37346611E+00 -0.49093165E+00 -0.42106922E+00 -0.14397072E+00 -0.20379474E+00 -0.90932815E-01 0.26852582E+00 0.25676757E-14 0.19782557E-14 0.86856081E-15 -0.21694570E+00 -0.16714497E+00 -0.73385643E-01 0.14375607E+00 0.11075630E+00 0.48627981E-01 0.86738391E-01 0.63864588E-16 -0.70857096E-02 0.61101790E-02 0.22488619E-02 -0.43160215E-16 -0.66559843E-03 0.24865111E-03 -0.19514481E-02 0.67320129E-02 0.27753057E-02 -0.88513393E-16 0.19930271E-15 -0.14003368E-01 0.12539442E+00 0.23079267E+00 0.37346611E+00 0.49093165E+00 0.42106922E+00 0.14397072E+00 0.20379474E+00 0.90932815E-01 -0.26852582E+00 -0.28628612E-15 -0.22056802E-15 -0.96841242E-16 -0.21694570E+00 -0.16714497E+00 -0.73385643E-01 -0.14375607E+00 -0.11075630E+00 -0.48627981E-01 -0.86738391E-01 -0.13876243E-15 -0.70857096E-02 -0.61101790E-02 -0.22488619E-02 -0.41652027E-16 -0.66559843E-03 -0.24865111E-03 0.19514481E-02 -0.67320129E-02 -0.27753057E-02 -0.46396439E-15 -0.20076890E-15 -0.14003368E-01 -0.39863194E-15 -0.67615522E-15 -0.76977882E-15 0.31285519E-15 0.25992725E-15 -0.74759164E-16 0.33628781E-02 0.96439545E-15 MO 6 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.5530167 -0.70117172E-01 -0.12935249E+00 -0.20881503E+00 -0.27181512E+00 -0.23194034E+00 -0.80083424E-01 -0.11157011E+00 -0.51422559E-01 0.14419422E+00 0.17896166E-16 0.13721645E-16 0.68480624E-17 -0.21223634E-14 -0.16272936E-14 -0.81213356E-15 0.28800605E+00 0.22082477E+00 0.11020704E+00 0.52815085E-01 -0.21353772E-16 0.14236388E-14 0.10449305E-01 0.81723774E-03 0.55233791E-17 0.16612234E-15 0.41658645E-03 -0.14158017E-01 -0.21644039E-02 0.85164950E-02 0.91567838E-15 0.81779774E-15 0.13475524E-14 0.58244667E-01 0.10720128E+00 0.17347191E+00 0.22803367E+00 0.19558316E+00 0.66873203E-01 0.98204491E-01 0.43818653E-01 -0.12939707E+00 0.44951010E-14 0.34632330E-14 0.15205458E-14 -0.33527287E+00 -0.25830967E+00 -0.11341186E+00 0.48675301E+00 0.37501695E+00 0.16465264E+00 -0.63886549E-01 0.43431938E-15 -0.12722688E-01 0.21301169E-01 -0.47251497E-02 -0.68698575E-16 0.57636688E-04 -0.33885860E-03 -0.31899863E-02 0.19678919E-02 0.35950450E-02 -0.42946813E-15 -0.35150773E-16 -0.20700089E-01 0.58244667E-01 0.10720128E+00 0.17347191E+00 0.22803367E+00 0.19558316E+00 0.66873203E-01 0.98204491E-01 0.43818653E-01 -0.12939707E+00 -0.36200009E-14 -0.27890155E-14 -0.12245280E-14 0.33527287E+00 0.25830967E+00 0.11341186E+00 0.48675301E+00 0.37501695E+00 0.16465264E+00 -0.63886549E-01 -0.22043429E-15 0.12722688E-01 0.21301169E-01 -0.47251497E-02 0.65414131E-16 -0.57636688E-04 -0.33885860E-03 -0.31899863E-02 0.19678919E-02 0.35950450E-02 0.10055396E-14 0.20933174E-15 0.20700089E-01 0.48260411E-01 0.81858791E-01 0.93193340E-01 0.27286475E-01 -0.18822032E-03 -0.24601791E-15 0.94535590E-15 -0.24668746E-01 MO 7 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.4350704 0.29516069E-01 0.54451384E-01 0.87901417E-01 0.11442153E+00 0.97636096E-01 0.33711398E-01 0.54618306E-01 0.25173527E-01 -0.70589198E-01 0.55987897E-15 0.42927968E-15 0.21424065E-15 0.17236844E-13 0.13216118E-13 0.65957693E-14 0.41469345E+00 0.31796063E+00 0.15868464E+00 -0.13947528E-01 0.28029789E-16 -0.83951432E-15 0.11799832E-01 0.25914292E-03 -0.72652828E-17 -0.18414718E-15 0.11905279E-03 0.96763138E-02 -0.26911937E-02 0.62491930E-02 -0.13411045E-14 -0.42749602E-16 0.23406753E-15 -0.42022439E-01 -0.77343721E-01 -0.12515674E+00 -0.16452204E+00 -0.14110960E+00 -0.48247767E-01 -0.70337187E-01 -0.31384316E-01 0.92678305E-01 0.93458021E-14 0.72004367E-14 0.31613795E-14 0.10123545E+01 0.77996454E+00 0.34244644E+00 0.25096101E+00 0.19335193E+00 0.84891910E-01 0.51948210E-01 0.49498841E-15 0.49336295E-01 0.16426237E-01 0.46901968E-02 0.49969754E-16 0.13228224E-02 0.36500115E-03 0.48533355E-02 -0.23809057E-01 0.13331413E-01 -0.82678011E-15 0.75855186E-15 0.14884136E-02 -0.42022439E-01 -0.77343721E-01 -0.12515674E+00 -0.16452204E+00 -0.14110960E+00 -0.48247767E-01 -0.70337187E-01 -0.31384316E-01 0.92678305E-01 -0.60862544E-14 -0.46891309E-14 -0.20587810E-14 -0.10123545E+01 -0.77996454E+00 -0.34244644E+00 0.25096101E+00 0.19335193E+00 0.84891910E-01 0.51948210E-01 -0.30099943E-15 -0.49336295E-01 0.16426237E-01 0.46901968E-02 -0.28745755E-16 -0.13228224E-02 0.36500115E-03 0.48533355E-02 -0.23809057E-01 0.13331413E-01 -0.72580272E-15 -0.98662623E-15 -0.14884136E-02 0.25631277E-01 0.43475498E-01 0.49495318E-01 0.20088197E-01 0.32421027E-03 0.32117158E-15 -0.36079578E-15 -0.77174499E-02 MO 8 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3925008 -0.10990965E-14 -0.20276184E-14 -0.32732048E-14 -0.42607401E-14 -0.36356972E-14 -0.12553189E-14 -0.12597383E-14 -0.58061223E-15 0.16280973E-14 0.30391715E-15 0.23302440E-15 0.11629551E-15 0.47521351E+00 0.36436358E+00 0.18184296E+00 -0.15674025E-13 -0.12017848E-13 -0.59977485E-14 0.23959725E-14 0.10003107E-15 0.13052360E-01 -0.10191030E-14 0.13275707E-14 -0.84108065E-16 -0.20431390E-03 0.11305413E-15 -0.11047004E-14 -0.41105133E-15 -0.64244187E-15 0.80951759E-15 -0.85955184E-15 -0.34592804E-01 0.45179757E-01 0.83154871E-01 0.13456028E+00 0.17688325E+00 0.15171174E+00 0.51872819E-01 0.76245321E-01 0.34020514E-01 -0.10046303E+00 0.10940547E-13 0.84291014E-14 0.37008295E-14 -0.91268535E+00 -0.70317486E+00 -0.30873164E+00 0.73641683E+00 0.56736947E+00 0.24910576E+00 -0.63894105E-01 0.43466765E-15 -0.40970939E-01 0.36101567E-01 -0.50146391E-02 0.18405106E-15 -0.16027372E-02 0.12749166E-02 -0.75700601E-02 0.10995193E-01 0.26772376E-02 0.71963657E-15 -0.13181106E-15 -0.31118299E-01 -0.45179757E-01 -0.83154871E-01 -0.13456028E+00 -0.17688325E+00 -0.15171174E+00 -0.51872819E-01 -0.76245321E-01 -0.34020514E-01 0.10046303E+00 -0.92429181E-14 -0.71211701E-14 -0.31265772E-14 -0.91268535E+00 -0.70317486E+00 -0.30873164E+00 -0.73641683E+00 -0.56736947E+00 -0.24910576E+00 0.63894105E-01 -0.78890469E-15 -0.40970939E-01 -0.36101567E-01 0.50146391E-02 0.84189932E-16 -0.16027372E-02 -0.12749166E-02 0.75700601E-02 -0.10995193E-01 -0.26772376E-02 -0.10409164E-14 -0.13401409E-14 -0.31118299E-01 -0.93365222E-15 -0.15836509E-14 -0.18029305E-14 -0.46280510E-15 -0.65902358E-15 0.55049012E-15 0.43684877E-02 0.42292198E-15 MO 9 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3515679 0.42992532E-16 0.79312826E-16 0.12803549E-15 0.16666417E-15 0.14221484E-15 0.49103366E-16 -0.33638851E-15 -0.15504116E-15 0.43475159E-15 0.42325022E+00 0.32452142E+00 0.16195893E+00 -0.21186711E-14 -0.16244626E-14 -0.81072068E-15 0.31852096E-15 0.24422167E-15 0.12188373E-15 -0.44831012E-15 0.22943621E-01 -0.28520655E-14 -0.17311944E-15 -0.25890548E-15 0.10780039E-02 -0.45327461E-16 -0.37838258E-16 -0.16648437E-15 -0.35671005E-15 0.35656373E-15 0.28405848E-14 -0.32004969E-01 0.46027347E-15 -0.46083976E-15 -0.84819117E-15 -0.13725334E-14 -0.18042336E-14 -0.15474807E-14 -0.52910992E-15 0.13739851E-14 0.61306947E-15 -0.18104024E-14 0.10693282E+01 0.82385976E+00 0.36171881E+00 -0.14596552E-13 -0.11245856E-13 -0.49375367E-14 -0.19854389E-13 -0.15296737E-13 -0.67160913E-14 0.45588133E-14 0.63719638E-01 -0.25630748E-14 -0.57762674E-16 -0.34971873E-15 0.11768325E-02 0.32156253E-15 0.39635969E-16 -0.12216953E-14 0.12505853E-15 -0.22736117E-14 -0.47807263E-01 0.23803807E-01 -0.11705483E-14 0.56351519E-15 0.10371688E-14 0.16783348E-14 0.22062181E-14 0.18922605E-14 0.64699599E-15 -0.17334309E-14 -0.77345349E-15 0.22840185E-14 0.10693282E+01 0.82385976E+00 0.36171881E+00 -0.11070953E-13 -0.85295724E-14 -0.37449417E-14 0.14112768E-13 0.10873127E-13 0.47738883E-14 -0.51586321E-14 0.63719638E-01 -0.24936818E-14 -0.11371921E-15 0.55393074E-15 0.11768325E-02 0.40932747E-15 0.18333847E-16 0.14023041E-14 0.11391859E-14 0.25528990E-14 0.47807263E-01 0.23803807E-01 -0.17811519E-14 0.14250971E-15 0.24172344E-15 0.27519359E-15 0.75032357E-16 0.22625231E-15 0.86480103E-02 0.11570854E-14 0.10925372E-15 MO 10 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.2088715 0.16186460E-15 0.29860858E-15 0.48204684E-15 0.62748176E-15 0.53543132E-15 0.18487157E-15 0.94603044E-15 0.43602457E-15 -0.12226584E-14 0.33879951E-14 0.25976997E-14 0.12964342E-14 -0.72908341E-01 -0.55901492E-01 -0.27898762E-01 -0.11993699E-13 -0.91960074E-14 -0.45894522E-14 0.33915210E-15 0.36801763E-16 0.95685588E-02 -0.38307992E-15 0.10074515E-14 0.22947369E-16 0.12130812E-02 0.23928569E-15 -0.35157680E-15 0.36640424E-14 -0.30475341E-14 -0.17735846E-13 0.12387032E-14 0.93730918E-01 0.32475817E-02 0.59772839E-02 0.96723736E-02 0.12714606E-01 0.10905244E-01 0.37286880E-02 0.21740825E-02 0.97007138E-03 -0.28646338E-02 -0.20180964E-12 -0.15548345E-12 -0.68265610E-13 0.89726886E+00 0.69129729E+00 0.30351674E+00 0.11078994E+01 0.85357673E+00 0.37476616E+00 -0.11070026E-01 -0.13948942E-13 0.58903491E-01 0.71329483E-01 -0.36231867E-02 -0.10058512E-14 0.27838881E-02 0.40027887E-02 0.27068274E-02 -0.14876593E-01 0.18711862E-01 0.71278538E-14 -0.34660657E-14 -0.17097552E-01 -0.32475817E-02 -0.59772839E-02 -0.96723736E-02 -0.12714606E-01 -0.10905244E-01 -0.37286880E-02 -0.21740825E-02 -0.97007138E-03 0.28646338E-02 0.23460372E-12 0.18074952E-12 0.79358773E-13 0.89726886E+00 0.69129729E+00 0.30351674E+00 -0.11078994E+01 -0.85357673E+00 -0.37476616E+00 0.11070026E-01 0.16128442E-13 0.58903491E-01 -0.71329483E-01 0.36231867E-02 0.10491727E-14 0.27838881E-02 -0.40027887E-02 -0.27068274E-02 0.14876593E-01 -0.18711862E-01 0.58494747E-14 0.21608028E-14 -0.17097552E-01 -0.26074836E-14 -0.44227857E-14 -0.50351852E-14 -0.35055129E-14 -0.89434247E-15 -0.25195570E-14 0.16181864E-02 0.20874339E-15 MO 11 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.1883276 -0.91916341E-15 -0.16956770E-14 -0.27373485E-14 -0.35632144E-14 -0.30404973E-14 -0.10498106E-14 0.33614825E-14 0.15493042E-14 -0.43444107E-14 -0.33020665E-14 -0.25318152E-14 -0.12635532E-14 -0.14816542E-13 -0.11360385E-13 -0.56696282E-14 -0.57293829E-13 -0.43929274E-13 -0.21923787E-13 0.24193504E-13 -0.34477690E-15 0.24743909E-14 -0.87598959E-14 0.24511915E-13 0.96136067E-18 0.22701680E-15 0.15171890E-14 -0.45754063E-14 0.20657721E-13 -0.17738499E-13 0.10830363E+00 -0.16024470E-15 0.13125499E-13 -0.17260972E-14 -0.31769403E-14 -0.51408891E-14 -0.67578426E-14 -0.57961624E-14 -0.19818064E-14 0.56234982E-15 0.25091939E-15 -0.74096833E-15 0.13558285E+01 0.10445928E+01 0.45863249E+00 0.14837758E-12 0.11431692E-12 0.50191287E-13 0.47994820E-12 0.36977421E-12 0.16235080E-12 0.25551546E-14 0.92788274E-01 0.16808313E-13 0.30752203E-13 -0.19442261E-13 0.64962109E-02 0.30282181E-14 -0.46354044E-16 -0.30222011E-14 -0.10210477E-13 0.22273685E-15 -0.40099335E-01 0.22392489E-01 -0.48999307E-14 -0.21761755E-14 -0.40053247E-14 -0.64813714E-14 -0.85199441E-14 -0.73075065E-14 -0.24985606E-14 -0.13635060E-16 -0.60839372E-17 0.17965948E-16 -0.13558285E+01 -0.10445928E+01 -0.45863249E+00 0.13658309E-12 0.10522991E-12 0.46201597E-13 0.14559424E-12 0.11217251E-12 0.49249775E-13 0.56860577E-14 -0.92788274E-01 0.23147249E-14 0.10382293E-13 -0.16654836E-13 -0.64962109E-02 -0.18573361E-14 -0.11933823E-14 -0.37001322E-14 -0.59396267E-14 -0.34550931E-14 -0.40099335E-01 -0.22392489E-01 0.81285579E-15 -0.12454088E-13 -0.21124490E-13 -0.24049485E-13 -0.14903127E-13 -0.11784076E-13 -0.69210390E-15 -0.35169975E-17 0.29960746E-14 MO 12 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.1853055 0.16440141E-02 0.30328851E-02 0.48960169E-02 0.63731592E-02 0.54382283E-02 0.18776895E-02 -0.32414818E-02 -0.14939960E-02 0.41893207E-02 0.10617617E-14 0.81409155E-15 0.40628874E-15 0.43777004E-15 0.33565430E-15 0.16751502E-15 -0.20485919E+00 -0.15707304E+00 -0.78390454E-01 -0.19383023E-01 0.15402398E-15 -0.22614904E-14 -0.36658076E-02 -0.18987697E-02 -0.46312070E-18 -0.13457127E-15 0.61367607E-03 -0.59317254E-02 0.63841864E-01 -0.64032243E-01 -0.27945291E-13 0.71540579E-15 0.50370806E-15 -0.52521498E-02 -0.96667594E-02 -0.15642641E-01 -0.20562690E-01 -0.17636500E-01 -0.60302188E-02 -0.56501612E-02 -0.25210909E-02 0.74448153E-02 -0.34627860E-12 -0.26678900E-12 -0.11713474E-12 0.23389523E-01 0.18020366E-01 0.79119114E-02 0.12252558E+01 0.94399358E+00 0.41446403E+00 0.12234358E-01 -0.24022089E-13 0.10768208E-02 0.82285813E-01 0.39539767E-02 -0.16303915E-14 0.38969476E-03 0.48002253E-02 -0.48315857E-02 -0.56669261E-02 0.34009425E-02 0.11162655E-13 -0.70095075E-14 -0.22149149E-01 -0.52521498E-02 -0.96667594E-02 -0.15642641E-01 -0.20562690E-01 -0.17636500E-01 -0.60302188E-02 -0.56501612E-02 -0.25210909E-02 0.74448153E-02 0.35070484E-12 0.27019917E-12 0.11863199E-12 -0.23389523E-01 -0.18020366E-01 -0.79119114E-02 0.12252558E+01 0.94399358E+00 0.41446403E+00 0.12234358E-01 0.23920700E-13 -0.10768208E-02 0.82285813E-01 0.39539767E-02 0.16340155E-14 -0.38969476E-03 0.48002253E-02 -0.48315857E-02 -0.56669261E-02 0.34009425E-02 0.93558014E-14 0.54268186E-14 0.22149149E-01 -0.46606863E-01 -0.79054060E-01 -0.90000254E-01 -0.61419635E-01 -0.48996275E-02 -0.19529193E-14 0.44206302E-16 0.94257513E-02 END DATA THE RHF ENERGY = -188.209663369086 THE VIRIAL(-V/T)= 2.00251408 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/quantuminput/000077500000000000000000000000001516317240700260745ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/quantuminput/CMakeLists.txt000066400000000000000000000011461516317240700306360ustar00rootroot00000000000000# Extension set(quantuminput_srcs quantuminput.cpp ) avogadro_plugin(QuantumInput "Quantum input file generation" ExtensionPlugin quantuminput.h QuantumInput "${quantuminput_srcs}" ) target_link_libraries(QuantumInput PRIVATE Avogadro::IO Avogadro::MoleQueue) set(_prefix "${AvogadroLibs_SOURCE_DIR}/../avogenerators") if(EXISTS "${_prefix}") install(DIRECTORY "${_prefix}" DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/plugins/" PATTERN ".git" EXCLUDE PATTERN ".pixi" EXCLUDE PATTERN "__pycache__" EXCLUDE) else() message("Avogadro Generators not found at ${_prefix}!") endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/quantuminput/quantuminput.cpp000066400000000000000000000311451516317240700313560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantuminput.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using MoleQueue::InputGenerator; using MoleQueue::InputGeneratorDialog; using MoleQueue::JobObject; QuantumInput::QuantumInput(QObject* parent_) : ExtensionPlugin(parent_), m_molecule(nullptr), m_outputFormat(nullptr) { refreshGenerators(); // Connect to PackageManager for pyproject.toml-based packages auto* pm = QtGui::PackageManager::instance(); connect(pm, &QtGui::PackageManager::featureRegistered, this, &QuantumInput::registerFeature); connect(pm, &QtGui::PackageManager::featureRemoved, this, &QuantumInput::unregisterFeature); } QuantumInput::~QuantumInput() { qDeleteAll(m_dialogs.values()); m_dialogs.clear(); } QList QuantumInput::actions() const { return m_packageActions.values(); } QStringList QuantumInput::menuPath(QAction* action) const { QStringList path; if (action == nullptr) return path; // Package-based actions may carry a custom menu path QVariant pkgMenuPath = action->property("packageMenuPath"); if (pkgMenuPath.isValid()) return pkgMenuPath.toStringList(); path << tr("&Input"); return path; } void QuantumInput::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) disconnect(m_molecule, &QtGui::Molecule::changed, this, &QuantumInput::moleculeChanged); m_molecule = mol; if (m_molecule) connect(m_molecule, &QtGui::Molecule::changed, this, &QuantumInput::moleculeChanged); foreach (InputGeneratorDialog* dlg, m_dialogs.values()) dlg->setMolecule(mol); updateActionStates(); } void QuantumInput::moleculeChanged(unsigned int change) { if (change & QtGui::Molecule::UnitCell) updateActionStates(); } void QuantumInput::updateActionStates() { bool isPeriodic = m_molecule && m_molecule->unitCell() != nullptr; for (QAction* action : m_packageActions.values()) { // Default: supports molecules (true), does not support periodic (false) bool supportsMolecular = action->property("supportMolecular").isValid() ? action->property("supportMolecular").toBool() : true; bool supportsPeriodic = action->property("supportPeriodic").isValid() ? action->property("supportPeriodic").toBool() : false; action->setEnabled(isPeriodic ? supportsPeriodic : supportsMolecular); } } void QuantumInput::openJobOutput(const JobObject& job) { m_outputFormat = nullptr; m_outputFileName.clear(); QString outputPath(job.value("outputDirectory").toString()); using QtGui::FileFormatDialog; FileFormatDialog::FormatFilePair result = FileFormatDialog::fileToRead( qobject_cast(parent()), tr("Open Output File"), outputPath); if (result.first == nullptr) // User canceled return; m_outputFormat = result.first; m_outputFileName = result.second; emit moleculeReady(1); } bool QuantumInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void QuantumInput::refreshGenerators() {} void QuantumInput::menuActivated() { auto* theSender = qobject_cast(sender()); if (!theSender) return; QWidget* theParent = qobject_cast(parent()); bool isPackage = theSender->property("packageMode").toBool(); QString key; InputGeneratorDialog* dlg = nullptr; if (isPackage) { QString pkgDir = theSender->property("packageDir").toString(); QString pkgCmd = theSender->property("packageCommand").toString(); QString pkgId = theSender->property("packageIdentifier").toString(); key = QtGui::PackageManager::packageFeatureKey(pkgDir, pkgCmd, pkgId); dlg = m_dialogs.value(key, nullptr); if (!dlg) { dlg = new InputGeneratorDialog(theParent); dlg->widget().inputGenerator().interpreter().setPackageInfo( pkgDir, pkgCmd, pkgId, theSender->property("packageDisplayName").toString()); // The pyproject.toml [avogadro.X] table may declare a separate // user-options file (JSON or TOML) that overrides the defaults baked // into the input-generator script. Load it now so the dialog starts // with the right set of options. QJsonObject opts; // Inject the preferred input molecule format (e.g. "cjson") so the // generator knows which format to request from Avogadro. QString inputFormat = theSender->property("packageInputFormat").toString(); if (!inputFormat.isEmpty()) opts.insert("inputMoleculeFormat", inputFormat); QString userOptionsRel = theSender->property("packageUserOptions").toString(); if (!userOptionsRel.isEmpty()) { QJsonObject userOpts = QtGui::PackageManager::resolveUserOptions( userOptionsRel, pkgDir, pkgCmd, pkgId); if (!userOpts.isEmpty()) opts.insert(QStringLiteral("userOptions"), userOpts); } // Optionally load syntax-highlight rules from a separate file. // The file path is relative to the package directory and may be // JSON or TOML. The expected JSON shape fed to the widget is: // "highlightStyles": [ { "style": "", "rules": [...] }, … ] // This runs unconditionally so a package that only supplies highlight // styles (with no other options) is not silently skipped. QString highlightStylesRel = theSender->property("packageHighlightStyles").toString(); if (!highlightStylesRel.isEmpty()) { QFile stylesFile(pkgDir + '/' + highlightStylesRel); if (stylesFile.open(QIODevice::ReadOnly)) { QByteArray content = stylesFile.readAll(); if (highlightStylesRel.endsWith(QLatin1String(".toml"), Qt::CaseInsensitive)) { // TOML layout: each top-level key is a style name whose // value has a "rules" array, e.g.: // [[default.rules]] // … // Each entry is reshaped into {"style": key, "rules": […]}. bool ok = false; QJsonObject stylesObj = QtGui::parseTomlToJson(content, &ok); if (!ok) { qWarning() << "QuantumInput: failed to parse TOML highlight" " styles file:" << highlightStylesRel; } else { // it was converted to JSON successfully QJsonArray stylesArray; for (auto it = stylesObj.constBegin(); it != stylesObj.constEnd(); ++it) { QJsonObject styleObj; styleObj[QStringLiteral("style")] = it.key(); styleObj[QStringLiteral("rules")] = it.value() .toObject() .value(QStringLiteral("rules")) .toArray(); stylesArray.append(styleObj); } if (!stylesArray.isEmpty()) opts.insert("highlightStyles", stylesArray); } } else { // JSON: accept either a bare array or an object that wraps // the array under the "highlightStyles" key. QJsonDocument stylesDoc = QJsonDocument::fromJson(content); if (stylesDoc.isArray()) { opts.insert("highlightStyles", stylesDoc.array()); } else if (stylesDoc.isObject()) { QJsonValue v = stylesDoc.object().value("highlightStyles"); if (v.isArray()) opts.insert("highlightStyles", v.toArray()); } } } } if (!opts.isEmpty()) dlg->widget().inputGenerator().setOptions(opts); } dlg->widget().reloadOptions(); // check the title for … QString title(theSender->text()); if (title.endsWith("...")) title.chop(3); else if (title.endsWith("…")) title.chop(1); dlg->setWindowTitle(tr("%1 Input Generator").arg(title)); connect(&dlg->widget(), &MoleQueue::InputGeneratorWidget::openJobOutput, this, &QuantumInput::openJobOutput); m_dialogs.insert(key, dlg); } dlg->setMolecule(m_molecule); dlg->show(); dlg->raise(); dlg->activateWindow(); } void QuantumInput::registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata) { if (type != QLatin1String("input-generators")) return; // Extract label from metadata QString displayName = metadata.value("program-name").toString(); if (displayName.isEmpty()) displayName = identifier; QString label = displayName; if (!label.endsWith("…") && !label.endsWith("...")) label.append("…"); // Create the action auto* action = new QAction(label, this); action->setProperty("packageMode", true); action->setProperty("packageDir", packageDir); action->setProperty("packageCommand", command); action->setProperty("packageIdentifier", identifier); action->setProperty("packageDisplayName", displayName); action->setProperty("packageUserOptions", metadata.value("user-options").toString()); action->setProperty("packageInputFormat", metadata.value("input-format").toString()); action->setProperty("packageHighlightStyles", metadata.value("highlight-styles").toString()); // Default to &Input menu path action->setProperty("packageMenuPath", QStringList() << tr("&Input")); // Molecule/periodic support: default molecular=true, periodic=false // "support" is a nested QVariantMap in the metadata QVariantMap supportMeta = metadata.value("support").toMap(); action->setProperty("supportMolecular", supportMeta.value("molecular", true).toBool()); action->setProperty("supportPeriodic", supportMeta.value("periodic", false).toBool()); action->setEnabled(true); connect(action, SIGNAL(triggered()), SLOT(menuActivated())); m_packageActions.insert( QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier), action); emit actionsChanged(); } void QuantumInput::unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier) { if (type != QLatin1String("input-generators")) return; const QString featureKey = QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier); const QList actions = m_packageActions.values(featureKey); if (actions.isEmpty()) return; m_packageActions.remove(featureKey); InputGeneratorDialog* dlg = m_dialogs.take(featureKey); if (dlg) { dlg->close(); delete dlg; } for (QAction* action : actions) action->deleteLater(); emit actionsChanged(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/quantuminput/quantuminput.h000066400000000000000000000050151516317240700310200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_QUANTUMINPUT_H #define AVOGADRO_QTPLUGINS_QUANTUMINPUT_H #include #include #include #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace MoleQueue { class InputGeneratorDialog; class JobObject; } // namespace MoleQueue namespace QtPlugins { /** * @brief The QuantumInput class implements the extension interface for * simulation input generators. * @author Allison Vacanti */ class QuantumInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit QuantumInput(QObject* parent = nullptr); ~QuantumInput() override; QString name() const override { return tr("Quantum input"); } QString description() const override { return tr("Generate input for quantum codes."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Scan for new scripts in the input generator directories. */ void refreshGenerators(); /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; /** * Handle a feature registered by PackageManager. */ void registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata); /** * Handle a feature removed by PackageManager. */ void unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier); private slots: void menuActivated(); void moleculeChanged(unsigned int change); private: void updateActionStates(); QtGui::Molecule* m_molecule; // keyed on package feature key QMap m_dialogs; QMultiHash m_packageActions; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_QUANTUMINPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/resetview/000077500000000000000000000000001516317240700253375ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/resetview/CMakeLists.txt000066400000000000000000000005721516317240700301030ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS OpenGLWidgets) endif() avogadro_plugin(ResetView "Manipulate the view camera." ExtensionPlugin resetview.h ResetView "resetview.cpp" "" ) target_link_libraries(ResetView PRIVATE Avogadro::QtOpenGL) if(QT_VERSION EQUAL 6) target_link_libraries(ResetView PRIVATE Qt6::OpenGLWidgets) endif() OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/resetview/resetview.cpp000066400000000000000000000245401516317240700300650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "resetview.h" #include #include #include #include #include #include #include #include #include #define CAMERA_NEAR_DISTANCE 13.35f // Experimental number namespace Avogadro::QtPlugins { using Avogadro::QtGui::ExtensionPlugin; using Core::Array; using Eigen::Affine3f; using Eigen::EigenSolver; using Eigen::Matrix3d; using Eigen::Matrix3f; using Eigen::Quaternionf; using Eigen::Vector3d; using Rendering::Projection; using std::numeric_limits; const float ResetView::DELTA_TIME = 100.0f / 3.0f; // 33.3 ms ~ 30 fps const int ResetView::TOTAL_FRAMES = 25; // ~1 sec ResetView::ResetView(QObject* parent_) : ExtensionPlugin(parent_), m_centerAction(new QAction(tr("Center"), this)), m_viewToAxesAction(new QAction(tr("Align View to Axes"), this)) { m_centerAction->setProperty("menu priority", 210); m_viewToAxesAction->setProperty("menu priority", 200); connect(m_centerAction, SIGNAL(triggered()), SLOT(centerView())); connect(m_viewToAxesAction, SIGNAL(triggered()), SLOT(alignToAxes())); } ResetView::~ResetView() {} void ResetView::registerCommands() { emit registerCommand("alignView", tr("Align view to axes.")); } bool ResetView::handleCommand(const QString& command, [[maybe_unused]] const QVariantMap& options) { if (m_molecule == nullptr || m_camera == nullptr) return false; // Nothing to do if (command == "alignView") { animationCameraDefault(false); return true; } return false; } QList ResetView::actions() const { QList result; return result << m_centerAction << m_viewToAxesAction; } QStringList ResetView::menuPath(QAction*) const { return QStringList() << tr("&View"); } void ResetView::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void ResetView::setCamera(Rendering::Camera* camera) { m_camera = camera; } void ResetView::setActiveWidget(QWidget* widget) { if (widget != nullptr) { m_glWidget = widget; connect(this, SIGNAL(updateRequested()), m_glWidget, SLOT(requestUpdate())); } } bool ResetView::defaultChecks() { if (m_molecule == nullptr || m_camera == nullptr) return true; // Check for 3D coordinates - it's useless to consider the camera otherwise if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return true; // no need to animate when there are no atoms if (m_molecule->atomCount() == 0) { animationCameraDefault(false); return true; } return false; } inline float getZDistance(const Affine3f& projection, float x, Projection perspective) { if (perspective == Projection::Perspective) { float fov = 2.0f * std::atan(1.0f / projection(1, 1)); // float aspect = projection(1,1) / projection(0,0); // tan (fov/2) = (x/2) / z -> z = (x/2) / tan (fov/2) return std::max(CAMERA_NEAR_DISTANCE, (x / 2.0f) / std::tan(fov / 2.0f)); } else { return 3.0f * CAMERA_NEAR_DISTANCE; } } inline void getBB(const Array& mols, Vector3& min, Vector3& max) { if (mols.size() > 0) { min = mols[0]; max = mols[0]; for (size_t i = 1; i < mols.size(); ++i) { min.x() = std::min(mols[i].x(), min.x()); max.x() = std::max(mols[i].x(), max.x()); min.y() = std::min(mols[i].y(), min.y()); max.y() = std::max(mols[i].y(), max.y()); min.z() = std::min(mols[i].z(), min.z()); max.z() = std::max(mols[i].z(), max.z()); } } else { min = max = Vector3(0, 0, 0); } } // namespace QtPlugins void ResetView::animationCameraDefault(bool animate) { Matrix3f linearGoal; linearGoal.row(0) = Vector3f::UnitX(); linearGoal.row(1) = Vector3f::UnitY(); linearGoal.row(2) = Vector3f::UnitZ(); // calculate the translation matrix auto goal = Affine3f(linearGoal); const Array& mols = m_molecule->atomPositions3d(); Vector3 min, max; getBB(mols, min, max); Vector3f mid = (max.cast() + min.cast()) / 2.0f; float d = getZDistance(m_camera->projection(), max.x() - min.x(), m_camera->projectionType()); Vector3f eye = -mid + (Vector3f::UnitZ() * -d); goal.translate(eye); animationCamera(goal, animate); } float ResetView::calculateOptimalOrthographicScale( const Affine3f& viewTransform) { if (m_camera->projectionType() != Projection::Orthographic) { return 1.0f; } const Array& mols = m_molecule->atomPositions3d(); Vector3 min, max; getBB(mols, min, max); // Transform bounding box corners to view space float infinity = numeric_limits::infinity(); Vector3f minView{ infinity, infinity, infinity }; Vector3f maxView{ -infinity, -infinity, -infinity }; Vector3f corners[8] = { Vector3f(min.x(), min.y(), min.z()), Vector3f(max.x(), min.y(), min.z()), Vector3f(min.x(), max.y(), min.z()), Vector3f(max.x(), max.y(), min.z()), Vector3f(min.x(), min.y(), max.z()), Vector3f(max.x(), min.y(), max.z()), Vector3f(min.x(), max.y(), max.z()), Vector3f(max.x(), max.y(), max.z()) }; for (const auto& corner : corners) { Vector3f transformed = viewTransform * corner; minView.x() = std::min(transformed.x(), minView.x()); maxView.x() = std::max(transformed.x(), maxView.x()); minView.y() = std::min(transformed.y(), minView.y()); maxView.y() = std::max(transformed.y(), maxView.y()); } // Calculate scene extent in view space float sceneWidth = maxView.x() - minView.x(); float sceneHeight = maxView.y() - minView.y(); // Base orthographic frustum has half-height of 5.0 float baseHalfHeight = 5.0f; float aspectRatio = static_cast(m_camera->width()) / static_cast(m_camera->height()); float baseHalfWidth = baseHalfHeight * aspectRatio; // Calculate scale needed to fit with 10% padding float scaleX = (sceneWidth / 2.0f) / baseHalfWidth * 1.1f; float scaleY = (sceneHeight / 2.0f) / baseHalfHeight * 1.1f; float optimalScale = std::max(scaleX, scaleY); // Clamp to reasonable values return std::clamp(optimalScale, 0.1f, 10.0f); } void ResetView::animationCamera(const Affine3f& goal, bool animate) { if (animate) { Matrix3f rot_aux = goal.rotation(); Vector3f posGoal = goal.translation(); auto rotGoal = Quaternionf(rot_aux); Affine3f start = m_camera->modelView(); rot_aux = start.rotation(); Vector3f posStart = start.translation(); auto rotStart = Quaternionf(rot_aux); // Calculate optimal orthographic scales float scaleStart = m_camera->orthographicScale(); float scaleGoal = calculateOptimalOrthographicScale(goal); for (int frame = 0; frame <= ResetView::TOTAL_FRAMES; ++frame) { Affine3f interpolation; float alpha = frame / float(ResetView::TOTAL_FRAMES); interpolation.fromPositionOrientationScale( ((1.0f - alpha) * posStart) + (alpha * posGoal), rotStart.slerp(alpha, rotGoal), Vector3f(1.0f, 1.0f, 1.0f)); // Interpolate orthographic scale float interpolatedScale = (1.0f - alpha) * scaleStart + alpha * scaleGoal; float time = frame * ResetView::DELTA_TIME; QTimer::singleShot( time, this, [this, interpolation, interpolatedScale]() { m_camera->setModelView(interpolation); if (m_camera->projectionType() == Projection::Orthographic) { m_camera->setOrthographicScale(interpolatedScale); } emit updateRequested(); }); } } else { m_camera->setModelView(goal); // Set optimal orthographic scale immediately float optimalScale = calculateOptimalOrthographicScale(goal); m_camera->setOrthographicScale(optimalScale); emit updateRequested(); } } // Calculate the oriented bounding box to get the most significant // axis base and the centroid inline void getOBB(const Array& mols, Vector3d& centroid, Vector3d& min, Vector3d& mid, Vector3d& max) { centroid = Vector3::Zero(); for (const auto& mol : mols) centroid += mol; centroid /= (double)mols.size(); Matrix3d covariance = Matrix3::Zero(); for (const auto& mol : mols) { Vector3d adjusted = mol - centroid; covariance += adjusted * adjusted.transpose(); } covariance /= (double)mols.size(); auto solver = EigenSolver(covariance); Eigen::Matrix3d vectors = solver.eigenvectors().real(); max = vectors.row(0); mid = vectors.row(1); min = vectors.row(2); } void ResetView::centerView() { if (defaultChecks()) return; const Array& mols = m_molecule->atomPositions3d(); Vector3d centroid, min, mid, max; getOBB(mols, centroid, min, mid, max); Matrix3f linearGoal; linearGoal.col(0) = (max.normalized()).cast(); // x linearGoal.col(1) = (mid.normalized()).cast(); // y linearGoal.col(2) = (min.normalized()).cast(); // z // calculate the translation matrix auto goal = Affine3f(linearGoal); // eigen return the eigenvectors normalized, but we need a non-normalized // so we project all the points to the axis and get the min/max float infinity = numeric_limits::infinity(); Vector3f minScreen{ infinity, infinity, infinity }; Vector3f maxScreen{ -infinity, -infinity, -infinity }; for (const auto& atom : mols) { Vector3f aux = linearGoal * Vector3f(atom.x(), atom.y(), atom.z()); minScreen.x() = std::min(aux.x(), minScreen.x()); maxScreen.x() = std::max(aux.x(), maxScreen.x()); minScreen.y() = std::min(aux.y(), minScreen.y()); maxScreen.y() = std::max(aux.y(), maxScreen.y()); minScreen.z() = std::min(aux.z(), minScreen.z()); maxScreen.z() = std::max(aux.z(), maxScreen.z()); } Vector3f midScreen = (maxScreen + minScreen) / 2.0f; float d = getZDistance(m_camera->projection(), maxScreen.x() - minScreen.x(), m_camera->projectionType()); midScreen.z() = 0; Vector3f eye = -midScreen + (Vector3f::UnitZ() * -d); goal.pretranslate(eye); animationCamera(goal); } void ResetView::alignToAxes() { if (defaultChecks()) return; animationCameraDefault(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/resetview/resetview.h000066400000000000000000000036241516317240700275320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_RESETVIEW_H #define AVOGADRO_QTPLUGINS_RESETVIEW_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The ResetView class is an extension to center the camera in the best * fit panel or the default camera position */ class ResetView : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ResetView(QObject* parent_ = nullptr); ~ResetView() override; QString name() const override { return tr("Reset view"); } QString description() const override { return tr("Manipulate the view camera."); } QList actions() const override; QStringList menuPath(QAction*) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setCamera(Rendering::Camera* camera) override; void setActiveWidget(QWidget* widget) override; signals: void updateRequested(); private slots: void centerView(); void alignToAxes(); private: QtGui::Molecule* m_molecule; Rendering::Camera* m_camera; QAction* m_centerAction; QAction* m_viewToAxesAction; QWidget* m_glWidget; static const float DELTA_TIME; static const int TOTAL_FRAMES; bool defaultChecks(); void animationCamera(const Eigen::Affine3f& goal, bool animate = true); void animationCameraDefault(bool animate = true); float calculateOptimalOrthographicScale(const Eigen::Affine3f& viewTransform); }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptcharges/000077500000000000000000000000001516317240700261635ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptcharges/CMakeLists.txt000066400000000000000000000005041516317240700307220ustar00rootroot00000000000000set(scriptcharges_srcs scriptchargemodel.cpp scriptcharges.cpp ) avogadro_plugin(ScriptCharges "Scriptable electrostatics models" ExtensionPlugin scriptcharges.h ScriptCharges "${scriptcharges_srcs}" "" ) target_link_libraries(ScriptCharges PRIVATE Avogadro::Calc ) # charge scripts are now download only OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp000066400000000000000000000455761516317240700324070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptchargemodel.h" #include #include // formats supported in scripts #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { // Strip any leading non-JSON output (e.g. deprecation warnings printed to // stdout by third-party libraries). Find the first '{' or '['. static void stripLeadingNonJson(QByteArray& data) { qsizetype jsonObj = data.indexOf('{'); qsizetype jsonArr = data.indexOf('['); qsizetype jsonStart = (jsonObj < 0) ? jsonArr : (jsonArr < 0) ? jsonObj : qMin(jsonObj, jsonArr); if (jsonStart > 0) data = data.mid(jsonStart); } // Parse a JSON byte array into a flat list of doubles. // Accepts either a bare JSON array or an object containing `arrayKey`. // Calls errorReporter(message) for structural problems and invalid elements. // Returns true when JSON parsed successfully (even if some elements were // invalid); returns false when JSON parsing itself failed, signalling the // caller should fall through to legacy line-delimited parsing. template static bool parseJsonNumericArray(const QByteArray& result, const QString& arrayKey, QList& outValues, int maxCount, ErrorFunc errorReporter) { QJsonParseError parseError; QJsonDocument doc = QJsonDocument::fromJson(result, &parseError); if (parseError.error != QJsonParseError::NoError) return false; QJsonArray values; if (doc.isArray()) { values = doc.array(); } else if (doc.isObject()) { QJsonValue v = doc.object().value(arrayKey); if (!v.isArray()) { errorReporter(QStringLiteral("Invalid ") + arrayKey + QStringLiteral(" output: missing required '") + arrayKey + QStringLiteral("' JSON array.")); return true; // JSON was valid; caller receives empty outValues } values = v.toArray(); } else { return false; // neither array nor object; fall through to legacy parser } if (values.size() > maxCount) errorReporter(QStringLiteral("Too many ") + arrayKey + QStringLiteral(" in script output.")); const int n = qMin(static_cast(values.size()), maxCount); outValues.resize(n); for (int i = 0; i < n; ++i) { const auto value = values.at(i); if (!value.isDouble()) { errorReporter(QStringLiteral("Invalid ") + arrayKey + QStringLiteral(" value in JSON output at index ") + QString::number(i) + QStringLiteral(".")); outValues[i] = 0.0; } else { outValues[i] = value.toDouble(); } } return true; } ScriptChargeModel::ScriptChargeModel(const QString& scriptFileName_) : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_inputFormat(NotUsed), m_valid(false), m_partialCharges(false), m_electrostatics(false), m_inputCjson(false) { m_elements.reset(); if (!scriptFileName_.isEmpty()) readMetaData(); } ScriptChargeModel::~ScriptChargeModel() { delete m_interpreter; } void ScriptChargeModel::setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier) { m_interpreter->setPackageInfo(packageDir, command, identifier); } void ScriptChargeModel::readMetaData(const QVariantMap& metadata) { resetMetaData(); m_identifier = metadata.value("identifier").toString().toStdString(); m_name = metadata.value("model-name").toString().toStdString(); m_description = metadata.value("description").toString().toStdString(); QString inputFmt = metadata.value("input-format").toString(); m_inputFormat = stringToFormat(inputFmt.toStdString()); m_formatString = inputFmt; QVariantMap support = metadata.value("support").toMap(); m_partialCharges = support.value("charges", false).toBool(); m_electrostatics = support.value("potentials", false).toBool(); m_inputCjson = metadata.value("input-cjson", false).toBool(); QString elemStr = support.value("elements").toString(); if (!elemStr.isEmpty()) processElementString(elemStr); m_valid = !m_identifier.empty() && !m_name.empty() && m_inputFormat != NotUsed; } QString ScriptChargeModel::scriptFilePath() const { return m_interpreter->scriptFilePath(); } Calc::ChargeModel* ScriptChargeModel::newInstance() const { auto* copy = new ScriptChargeModel(); copy->m_interpreter->setPackageInfo(m_interpreter->packageDir(), m_interpreter->packageCommand(), m_interpreter->packageIdentifier()); copy->copyMetaDataFrom(*this); return copy; } void ScriptChargeModel::copyMetaDataFrom(const ScriptChargeModel& other) { m_identifier = other.m_identifier; m_name = other.m_name; m_description = other.m_description; m_inputFormat = other.m_inputFormat; m_formatString = other.m_formatString; m_partialCharges = other.m_partialCharges; m_electrostatics = other.m_electrostatics; m_inputCjson = other.m_inputCjson; m_elements = other.m_elements; m_valid = other.m_valid; } MatrixX ScriptChargeModel::partialCharges(const Core::Molecule& mol) const { MatrixX charges(mol.atomCount(), 1); // check to see if we already have them in the molecule charges = mol.partialCharges(m_identifier); // if there's a non-zero charge, then we're done for (unsigned int i = 0; i < charges.rows(); ++i) { if (abs(charges(i, 0)) > 0.00001) return charges; } // Create the intermediate format writer std::string intermediate; QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { appendError("Cannot create file format."); return charges; } if (!format->writeString(intermediate, mol)) { appendError(format->error(), false); return charges; } QByteArray scriptInput; if (m_interpreter->isPackageMode()) { // Package-mode scripts consume structured JSON from stdin. QJsonObject request; request[m_formatString] = QString::fromStdString(intermediate); if (m_inputCjson) { // Some package features request both the selected input format and a // parsed cjson molecule object. std::string cjson; Io::CjsonFormat cjsonFormat; if (!cjsonFormat.writeString(cjson, mol)) { appendError(cjsonFormat.error(), false); return charges; } QJsonParseError cjsonParseError; QJsonDocument cjsonDoc = QJsonDocument::fromJson( QByteArray::fromStdString(cjson), &cjsonParseError); if (cjsonParseError.error == QJsonParseError::NoError && cjsonDoc.isObject()) { request["cjson"] = cjsonDoc.object(); } else { appendError("Failed to serialize cjson input for charge script."); return charges; } } scriptInput = QJsonDocument(request).toJson(QJsonDocument::Compact); } else { scriptInput = QByteArray::fromStdString(intermediate); } // Call the script to convert the file QByteArray result = m_interpreter->execute(QStringList() << "--charges", scriptInput); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return charges; } stripLeadingNonJson(result); // parse the result - preferred output is JSON: bare array or {"charges":[]} QList jsonValues; if (parseJsonNumericArray( result, QStringLiteral("charges"), jsonValues, static_cast(charges.rows()), [this](const QString& msg) { appendError(msg.toStdString()); })) { for (int i = 0; i < jsonValues.size(); ++i) charges(i, 0) = jsonValues[i]; return charges; } // Backward compatibility: accept legacy line-delimited numeric output. QString resultString = QString::fromUtf8(result); QStringList lines = resultString.split('\n'); // keep a separate atom counter in case there is other text // (e.g., "normal termination, etc.") unsigned int atom = 0; for (const auto& line : lines) { if (line.isEmpty()) continue; if (atom >= static_cast(charges.rows())) { appendError("Too many charges in script output."); break; } bool ok; double charge = line.toDouble(&ok); if (!ok) { appendError("Invalid charge: " + line.toStdString()); continue; } charges(atom, 0) = charge; ++atom; } return charges; } MatrixX ScriptChargeModel::partialCharges(Core::Molecule& mol) const { // just create a copy of the const version MatrixX charges = partialCharges(static_cast(mol)); // cache them mol.setPartialCharges(m_identifier, charges); return charges; } double ScriptChargeModel::potential(Core::Molecule& mol, const Vector3& point) const { // just create an array of size one and run that Core::Array points; points.push_back(point); Core::Array results = potentials(mol, points); if (results.size() == 1) return results[0]; else return 0.0; } Core::Array ScriptChargeModel::potentials( Core::Molecule& mol, const Core::Array& points) const { // first off, if the script doesn't handle potentials // call the parent class (default method from partial charges) if (!m_electrostatics) return Calc::ChargeModel::potentials(mol, points); // Create the intermediate format writer std::string intermediate; QScopedPointer format(createFileFormat(m_inputFormat)); Core::Array potentials(points.size(), 0.0); if (format.isNull()) { appendError("Cannot create file format."); return potentials; } if (!format->writeString(intermediate, mol)) { appendError(format->error(), false); return potentials; } // now we stuff the file and the points into JSON QJsonObject json; json[m_formatString] = QString::fromStdString(intermediate); if (m_inputCjson) { // Mirror the package-mode charge request and include cjson when requested. std::string cjson; Io::CjsonFormat cjsonFormat; if (!cjsonFormat.writeString(cjson, mol)) { appendError(cjsonFormat.error(), false); return potentials; } QJsonParseError cjsonParseError; QJsonDocument cjsonDoc = QJsonDocument::fromJson( QByteArray::fromStdString(cjson), &cjsonParseError); if (cjsonParseError.error == QJsonParseError::NoError && cjsonDoc.isObject()) { json["cjson"] = cjsonDoc.object(); } else { appendError("Failed to serialize cjson input for potential script."); return potentials; } } QJsonArray pointsArray; for (const auto& i : points) { QJsonArray point; point << i.x() << i.y() << i.z(); pointsArray.append(point); } json["points"] = pointsArray; QJsonDocument doc(json); // Call the script to convert the file QByteArray result = m_interpreter->execute(QStringList() << "--potentials", doc.toJson()); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return potentials; } stripLeadingNonJson(result); // Preferred output is JSON: bare array or {"potentials":[...]} QList jsonValues; if (parseJsonNumericArray( result, QStringLiteral("potentials"), jsonValues, static_cast(potentials.size()), [this](const QString& msg) { appendError(msg.toStdString()); })) { for (int i = 0; i < jsonValues.size(); ++i) potentials[i] = jsonValues[i]; return potentials; } // Backward compatibility: accept legacy line-delimited numeric output. QString resultString = QString::fromUtf8(result); QStringList lines = resultString.split('\n'); unsigned int point = 0; for (const QString& line : lines) { if (line.isEmpty()) continue; if (point >= potentials.size()) { appendError("Too many potentials in script output."); break; } bool ok; double potential = line.toDouble(&ok); if (!ok) { appendError("Invalid potential: " + line.toStdString()); continue; } potentials[point] = potential; ++point; } return potentials; } ScriptChargeModel::Format ScriptChargeModel::stringToFormat( const std::string& str) { if (str == "cjson") return Cjson; else if (str == "cml") return Cml; else if (str == "mdl" || str == "mol") return Mdl; else if (str == "sdf") return Sdf; else if (str == "pdb") return Pdb; else if (str == "xyz") return Xyz; return NotUsed; } Io::FileFormat* ScriptChargeModel::createFileFormat( ScriptChargeModel::Format fmt) { switch (fmt) { case Cjson: return new Io::CjsonFormat; case Cml: return new Io::CmlFormat; case Mdl: return new Io::MdlFormat; case Pdb: return new Io::PdbFormat; case Sdf: return new Io::SdfFormat; case Xyz: return new Io::XyzFormat; default: case NotUsed: return nullptr; } } void ScriptChargeModel::resetMetaData() { m_valid = false; m_partialCharges = false; m_electrostatics = false; m_inputCjson = false; m_inputFormat = NotUsed; m_identifier.clear(); m_name.clear(); m_description.clear(); m_formatString.clear(); } void ScriptChargeModel::readMetaData() { resetMetaData(); QByteArray output(m_interpreter->execute(QStringList() << "--metadata")); if (m_interpreter->hasErrors()) { qWarning() << "Error retrieving metadata for charge script:" << scriptFilePath() << "\n" << m_interpreter->errorList(); return; } QJsonParseError parseError; QJsonDocument doc(QJsonDocument::fromJson(output, &parseError)); if (parseError.error != QJsonParseError::NoError) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << parseError.errorString() << "(at offset" << parseError.offset << ")"; return; } if (!doc.isObject()) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\nResult is not a JSON object:\n" << output; return; } const QJsonObject metaData(doc.object()); // Read required inputs first. std::string identifierTmp; if (!parseString(metaData, "identifier", identifierTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Error parsing required member 'identifier'" << "\n" << output; return; } m_identifier = identifierTmp; std::string nameTmp; if (!parseString(metaData, "name", nameTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Error parsing required member 'name'" << "\n" << output; return; } m_name = nameTmp; std::string descriptionTmp; parseString(metaData, "description", descriptionTmp); m_description = descriptionTmp; // optional Format inputFormatTmp = NotUsed; std::string inputFormatStrTmp; if (!parseString(metaData, "inputFormat", inputFormatStrTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Member 'inputFormat' required for writable formats." << "\n" << output; return; } m_formatString = inputFormatStrTmp.c_str(); // for the json key // Validate the input format inputFormatTmp = stringToFormat(inputFormatStrTmp); if (inputFormatTmp == NotUsed) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Member 'inputFormat' not recognized:" << inputFormatStrTmp.c_str() << "\nValid values are cjson, cml, mdl/sdf, pdb, or xyz.\n" << output; return; } m_inputFormat = inputFormatTmp; // check if we handle charges and/or potentials if (!metaData["charges"].isBool()) { return; // not valid } m_partialCharges = metaData["charges"].toBool(); if (!metaData["potential"].isBool()) { return; // not valid } m_electrostatics = metaData["potential"].toBool(); if (metaData["inputCjson"].isBool()) m_inputCjson = metaData["inputCjson"].toBool(); // get the element mask // (if it doesn't exist, the default is no elements anyway) m_valid = parseElements(metaData); } bool ScriptChargeModel::parseString(const QJsonObject& ob, const QString& key, std::string& str) { if (!ob[key].isString()) return false; str = ob[key].toString().toStdString(); return !str.empty(); } void ScriptChargeModel::processElementString(const QString& str) { // parse the QString // first turn any commas into whitespace QString str2(str); str2.replace(',', ' '); // then split on whitespace QStringList strList = str2.split(QRegularExpression("\\s+"), Qt::SkipEmptyParts); foreach (QString sstr, strList) { // these should be numbers or ranges (e.g., 1-84) if (sstr.contains('-')) { // range, so split on the dash QStringList strList2 = sstr.split('-'); if (strList2.size() != 2) return; // get the two numbers bool ok; int start = strList2[0].toInt(&ok); if (!ok || start < 1 || start > 119) return; int end = strList2[1].toInt(&ok); if (!ok || end < 1 || end > 119) return; for (int i = start; i <= end; ++i) m_elements.set(i); } bool ok; int i = sstr.toInt(&ok); if (!ok || i < 1 || i > 119) return; m_elements.set(i); } } bool ScriptChargeModel::parseElements(const QJsonObject& ob) { m_elements.reset(); // we could either get a string or an array (of numbers) if (ob["elements"].isString()) { auto str = ob["elements"].toString(); processElementString(str); } else if (ob["elements"].isArray()) { QJsonArray arr = ob["elements"].toArray(); for (auto&& i : arr) { if (i.isString()) { processElementString(i.toString()); } else if (i.isDouble()) { int element = i.toInt(); if (element >= 1 && element <= 119) // check the range m_elements.set(element); } } } return true; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptcharges/scriptchargemodel.h000066400000000000000000000057151516317240700320430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTCHARGEMODEL_H #define AVOGADRO_QTPLUGINS_SCRIPTCHARGEMODEL_H #include #include #include #include class QJsonObject; namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class PythonScript; } namespace QtPlugins { class ScriptChargeModel : public Avogadro::Calc::ChargeModel { public: /** Formats that may be written to the script's input. */ enum Format { NotUsed, Cjson, Cml, Mdl, Pdb, Sdf, Xyz }; ScriptChargeModel(const QString& scriptFileName = ""); ~ScriptChargeModel() override; /** * Configure the interpreter for package-based (pixi) execution. */ void setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier); /** * Populate metadata fields from a QVariantMap (e.g. from pyproject.toml) * instead of calling the script with --metadata. */ void readMetaData(const QVariantMap& metadata); QString scriptFilePath() const; Format inputFormat() const { return m_inputFormat; } bool isValid() const { return m_valid; } ChargeModel* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } Core::Molecule::ElementMask elements() const override { return m_elements; } MatrixX partialCharges(Core::Molecule& mol) const override; MatrixX partialCharges(const Core::Molecule& mol) const override; double potential(Core::Molecule& mol, const Vector3& point) const override; bool supportsCharges() const { return m_partialCharges; } bool supportsElectrostatics() const { return m_electrostatics; } Core::Array potentials( Core::Molecule& mol, const Core::Array& points) const override; private: static Format stringToFormat(const std::string& str); static Io::FileFormat* createFileFormat(Format fmt); void resetMetaData(); void readMetaData(); bool parseString(const QJsonObject& ob, const QString& key, std::string& str); void processElementString(const QString& str); bool parseElements(const QJsonObject& ob); void copyMetaDataFrom(const ScriptChargeModel& other); private: QtGui::PythonScript* m_interpreter; Format m_inputFormat; Core::Molecule::ElementMask m_elements; bool m_valid; bool m_partialCharges; bool m_electrostatics; bool m_inputCjson; std::string m_identifier; std::string m_name; std::string m_description; QString m_formatString; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SCRIPTCHARGEMODEL_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptcharges/scriptcharges.cpp000066400000000000000000000102321516317240700315260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptcharges.h" #include "scriptchargemodel.h" #include #include #include #include #include namespace Avogadro::QtPlugins { ScriptCharges::ScriptCharges(QObject* p) : ExtensionPlugin(p) { refreshModels(); // Connect to PackageManager for pyproject.toml-based packages auto* pm = QtGui::PackageManager::instance(); connect(pm, &QtGui::PackageManager::featureRegistered, this, &ScriptCharges::registerFeature); connect(pm, &QtGui::PackageManager::featureRemoved, this, &ScriptCharges::unregisterFeature); // If PackageManager already replayed cached features before this plugin was // constructed, we would miss those registrations. Replay only // electrostatic-models here to catch up. pm->loadRegisteredPackages(QStringLiteral("electrostatic-models")); } ScriptCharges::~ScriptCharges() {} QList ScriptCharges::actions() const { return QList(); } QStringList ScriptCharges::menuPath(QAction*) const { return QStringList(); } void ScriptCharges::setMolecule(QtGui::Molecule*) {} void ScriptCharges::refreshModels() { unregisterModels(); qDeleteAll(m_models); m_models.clear(); m_packageModels.clear(); registerModels(); } void ScriptCharges::unregisterModels() { for (auto* model : m_models) Calc::ChargeManager::unregisterModel(model->identifier()); } void ScriptCharges::registerModels() { for (auto* model : m_models) { if (!Calc::ChargeManager::registerModel(model->newInstance())) { qDebug() << "Could not register model" << model->identifier().c_str() << "due to name conflict."; } } } void ScriptCharges::registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata) { if (type != QLatin1String("electrostatic-models")) return; const QString featureKey = QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier); // Ignore duplicate feature emissions for the same package feature key. // This can happen when replaying cached registrations in addition to live // registration events. if (m_packageModels.contains(featureKey)) return; auto* model = new ScriptChargeModel(); model->setPackageInfo(packageDir, command, identifier); model->readMetaData(metadata); if (model->isValid()) { QString managerId = QString::fromStdString(model->identifier()); if (!Calc::ChargeManager::registerModel(model->newInstance())) { qDebug() << "Could not register charge model" << identifier << "due to name conflict."; delete model; } else { m_models.push_back(model); m_packageModels.insert(featureKey, managerId); } } else { delete model; } } void ScriptCharges::unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier) { if (type != QLatin1String("electrostatic-models")) return; const QString featureKey = QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier); const QList managerIds = m_packageModels.values(featureKey); if (managerIds.isEmpty()) return; m_packageModels.remove(featureKey); for (const QString& managerId : managerIds) { Calc::ChargeManager::unregisterModel(managerId.toStdString()); for (int i = m_models.size() - 1; i >= 0; --i) { if (QString::fromStdString(m_models[i]->identifier()) == managerId) delete m_models.takeAt(i); } } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptcharges/scriptcharges.h000066400000000000000000000036531516317240700312040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTCHARGES_H #define AVOGADRO_QTPLUGINS_SCRIPTCHARGES_H #include #include #include #include namespace Avogadro { namespace Calc { class ChargeModel; } namespace QtPlugins { /** * @brief This extension registers ChargeModel electrostatics * implemented as external scripts. */ class ScriptCharges : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ScriptCharges(QObject* parent = nullptr); ~ScriptCharges() override; QString name() const override { return tr("Script Charge Models"); } QString description() const override { return tr("Load electrostatic models from external scripts."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Handle a feature registered by PackageManager. */ void registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata); /** * Handle a feature removed by PackageManager. */ void unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier); private: QList m_models; QMultiHash m_packageModels; void refreshModels(); void unregisterModels(); void registerModels(); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SCRIPTCHARGES_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/000077500000000000000000000000001516317240700270625ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/CMakeLists.txt000066400000000000000000000004621516317240700316240ustar00rootroot00000000000000set(scriptfileformats_srcs scriptfileformats.cpp fileformatscript.cpp ) avogadro_plugin(ScriptFileFormats "Scriptable file formats" ExtensionPlugin scriptfileformats.h ScriptFileFormats "${scriptfileformats_srcs}" "" ) target_link_libraries(ScriptFileFormats PRIVATE Avogadro::QuantumIO) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/fileformatscript.cpp000066400000000000000000000250751516317240700331540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformatscript.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { FileFormatScript::FileFormatScript(const QString& scriptFileName_) : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_valid(false), m_bondOnRead(false), m_inputModeFile(false), m_outputModeFile(false), m_inputFormat(NotUsed), m_outputFormat(NotUsed) { } FileFormatScript::~FileFormatScript() { delete m_interpreter; } void FileFormatScript::setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier) { m_interpreter->setPackageInfo(packageDir, command, identifier); } void FileFormatScript::readMetaData(const QVariantMap& metadata) { resetMetaData(); m_identifier = metadata.value("identifier").toString().toStdString(); if (!m_identifier.empty()) m_identifier = "User Script: " + m_identifier; m_name = metadata.value("format-name").toString().toStdString(); m_description = metadata.value("description").toString().toStdString(); QVariantMap support = metadata.value("support").toMap(); if (support.value("read", false).toBool()) m_operations |= Io::FileFormat::Read; if (support.value("write", false).toBool()) m_operations |= Io::FileFormat::Write; // Parse input-mode / output-mode: "string" (default) or "file" m_inputModeFile = metadata.value("input-mode") .toString() .compare(QLatin1String("file"), Qt::CaseInsensitive) == 0; m_outputModeFile = metadata.value("output-mode") .toString() .compare(QLatin1String("file"), Qt::CaseInsensitive) == 0; if (m_inputModeFile || m_outputModeFile) m_operations |= Io::FileFormat::File; else m_operations |= Io::FileFormat::File | Io::FileFormat::Stream | Io::FileFormat::String; if (m_operations & Io::FileFormat::Write) { QString inputFmt = metadata.value("input-format").toString(); m_inputFormat = stringToFormat(inputFmt.toStdString()); } if (m_operations & Io::FileFormat::Read) { QString outputFmt = metadata.value("output-format").toString(); m_outputFormat = stringToFormat(outputFmt.toStdString()); } // Parse file extensions array QVariantList extList = metadata.value("file-extensions").toList(); for (const auto& ext : extList) m_fileExtensions.push_back(ext.toString().toStdString()); // Parse mime types array QVariantList mimeList = metadata.value("mime-types").toList(); for (const auto& mime : mimeList) m_mimeTypes.push_back(mime.toString().toStdString()); // Check for bond-on-read if (metadata.contains("bond")) m_bondOnRead = metadata.value("bond").toBool(); m_valid = !m_identifier.empty() && !m_name.empty() && (!(m_operations & Io::FileFormat::Write) || m_inputFormat != NotUsed) && (!(m_operations & Io::FileFormat::Read) || m_outputFormat != NotUsed); } QString FileFormatScript::scriptFilePath() const { return m_interpreter->scriptFilePath(); } Io::FileFormat* FileFormatScript::newInstance() const { auto* copy = new FileFormatScript(); copy->m_interpreter->setPackageInfo(m_interpreter->packageDir(), m_interpreter->packageCommand(), m_interpreter->packageIdentifier()); copy->copyMetaDataFrom(*this); return copy; } void FileFormatScript::copyMetaDataFrom(const FileFormatScript& other) { m_identifier = other.m_identifier; m_name = other.m_name; m_description = other.m_description; m_specificationUrl = other.m_specificationUrl; m_operations = other.m_operations; m_inputFormat = other.m_inputFormat; m_outputFormat = other.m_outputFormat; m_fileExtensions = other.m_fileExtensions; m_mimeTypes = other.m_mimeTypes; m_bondOnRead = other.m_bondOnRead; m_inputModeFile = other.m_inputModeFile; m_outputModeFile = other.m_outputModeFile; m_valid = other.m_valid; } bool FileFormatScript::read(std::istream& in, Core::Molecule& molecule) { if (m_inputModeFile) { appendError("This format requires a file path and cannot be read from a " "stream."); return false; } // Create intermediate format reader QScopedPointer format(createFileFormat(m_outputFormat)); if (format.isNull()) { appendError("Invalid intermediate format enum value."); return false; } // Copy input into memory /// @todo would be nice to pass the stream to the interpreter directly... // Get length first: in.seekg(0, std::istream::end); std::istream::pos_type size = in.tellg(); // Construct byte array QByteArray buffer; buffer.resize(static_cast(size)); in.seekg(0, std::istream::beg); in.read(buffer.data(), size); // Call the script to convert the file QByteArray result = m_interpreter->execute(QStringList() << "--read", buffer); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return false; } if (!format->readString(std::string(result.constData(), result.size()), molecule)) { appendError(format->error(), false); return false; } if (m_bondOnRead) { molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); } return true; } bool FileFormatScript::write(std::ostream& out, const Core::Molecule& molecule) { if (m_outputModeFile) { appendError("This format requires a file path and cannot be written to a " "stream."); return false; } // Create the intermediate format writer std::string intermediate; QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { appendError("Invalid intermediate format enum value."); return false; } if (!format->writeString(intermediate, molecule)) { appendError(format->error(), false); return false; } // Call the script to convert the file QByteArray result = m_interpreter->execute( QStringList() << "--write", QByteArray::fromRawData(intermediate.c_str(), intermediate.size())); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return false; } out.write(result.constData(), result.size()); return true; } FileFormatScript::Format FileFormatScript::stringToFormat( const std::string& str) { if (str == "cjson") return Cjson; else if (str == "cml") return Cml; else if (str == "mdl" || str == "mol") return Mdl; else if (str == "pdb") return Pdb; else if (str == "sdf") return Sdf; else if (str == "xyz") return Xyz; return NotUsed; } std::string FileFormatScript::formatToString(Format fmt) { switch (fmt) { case Cjson: return "cjson"; case Cml: return "cml"; case Mdl: return "mdl"; case Pdb: return "pdb"; case Sdf: return "sdf"; case Xyz: return "xyz"; default: return ""; } } bool FileFormatScript::readFile(const std::string& fileName, Core::Molecule& molecule) { if (!m_inputModeFile) return FileFormat::readFile(fileName, molecule); QScopedPointer format(createFileFormat(m_outputFormat)); if (format.isNull()) { appendError("Invalid intermediate format enum value."); return false; } QJsonObject payload; payload["operation"] = QLatin1String("read"); payload["filename"] = QString::fromStdString(fileName); QByteArray input = QJsonDocument(payload).toJson(QJsonDocument::Compact); QByteArray result = m_interpreter->execute(QStringList() << "--read", input); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return false; } if (!format->readString(std::string(result.constData(), result.size()), molecule)) { appendError(format->error(), false); return false; } if (m_bondOnRead) { molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); } return true; } bool FileFormatScript::writeFile(const std::string& fileName, const Core::Molecule& molecule) { if (!m_outputModeFile) return FileFormat::writeFile(fileName, molecule); QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { appendError("Invalid intermediate format enum value."); return false; } std::string intermediate; if (!format->writeString(intermediate, molecule)) { appendError(format->error(), false); return false; } QJsonObject payload; payload["operation"] = QLatin1String("write"); payload["filename"] = QString::fromStdString(fileName); payload[QString::fromStdString(formatToString(m_inputFormat))] = QString::fromStdString(intermediate); QByteArray input = QJsonDocument(payload).toJson(QJsonDocument::Compact); m_interpreter->execute(QStringList() << "--write", input); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return false; } return true; } Io::FileFormat* FileFormatScript::createFileFormat(FileFormatScript::Format fmt) { switch (fmt) { case Cjson: return new Io::CjsonFormat; case Cml: return new Io::CmlFormat; case Mdl: return new Io::MdlFormat; case Pdb: return new Io::PdbFormat; case Sdf: return new Io::SdfFormat; case Xyz: return new Io::XyzFormat; default: case NotUsed: return nullptr; } } void FileFormatScript::resetMetaData() { m_operations = Io::FileFormat::None; m_valid = false; m_bondOnRead = false; m_inputModeFile = false; m_outputModeFile = false; m_inputFormat = NotUsed; m_identifier.clear(); m_name.clear(); m_description.clear(); m_specificationUrl.clear(); m_fileExtensions.clear(); m_mimeTypes.clear(); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/fileformatscript.h000066400000000000000000000152011516317240700326070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FILEFORMATSCRIPT_H #define AVOGADRO_QTPLUGINS_FILEFORMATSCRIPT_H #include #include #include #include namespace Avogadro { namespace QtGui { class PythonScript; } namespace QtPlugins { /** * @brief The FileFormatScript class interfaces with external scripts that * implement chemical file reader/writers. * * Script Entry Points * =================== * * The script must handle the following command line arguments: * - `--metadata` Print metadata describing the format and the script's * abilities and exit. * - `--read` Read data from standard input and produce a standard * representation on standard output. * - `--write` Read a standard representation from standard input and write * the formatted result to standard output. * * Identify the Format with `--metadata` * ===================================== * * Running the script with the `--metadata` option should print a JSON object * of the following form: ~~~{.js} { "inputFormat": "cml", "outputFormat": "cml", "operations": ["read", "write"], "identifier": "Unique Name", "name": "User-friendly Name", "description": "Description of format.", "specificationUrl": "http://url.specifying.format/if/any/exist", "fileExtensions": ["ext"], "mimeTypes": ["chemical/x-ext"] } ~~~ * * Details: * - `inputFormat` indicates the format that the script can convert to the * implemented format by the `--write` command. Allowed values are `"cml"`, * `"cjson"`, or `"xyz"`. See the `--write` documentation for more detail. * - `outputFormat` indicates the format that the script can convert to from the * implemented format by the `--read` command. Allowed values are `"cml"`, * `"cjson"`, `"sdf"`, `"pdb"` or `"xyz"`. See the `--read` documentation for more detail. * - `operations` specifies the scripts capabilities. The array should contain * `"read"` if the script implements the `--read` option, and/or `"write"` if * `--write` is available. * - `identifier` is a unique identifier. The value must only be unique amongst * script formats, as it will be prefixed with "User Script: " internally by * Avogadro. * - `name` is a user-friendly name for the format. * - `description` is a description of the format, along with any relevant help * text for users. * - `specificationUrl` is the URL of the format specification if available * (or relevant web page/wiki otherwise). * - `fileExtensions` is an array specifying the file extensions that this * format supports. * - `mimeTypes` is an array specifying the mime types that this format * supports. * - `bond` is a boolean indicating whether the format expects Avogadro * to perceive bonds after reading the file. * * Required members are * - `operations` * - `inputFormat` (if `"write"` is specified in `operations`) * - `outputFormat` (if `"read"` is specified in `operations`) * - `identifier` * - `name` * * Optional members are * - `description` * - `specificationUrl` * - `fileExtensions` * - `mimeTypes` * * Reading a format with `--read` * ============================== * * If `"read"` is specified in the `operations` `--metadata` output along with * a valid `outputFormat`, Avogadro will call the script with `--read` and * write the implemented format to the script's standard input. The script shall * convert the input to `outputFormat` and print it to standard output. * * Writing a format with `--write` * =============================== * * If `"write"` is specified in the `operations` `--metadata` output along with * a valid `inputFormat`, Avogadro will call the script with `--write` and * write the `inputFormat` to the script's standard input. The script shall * convert the input to the implemented format and print it to standard output. */ class FileFormatScript : public Avogadro::Io::FileFormat { public: /** Formats that may be written to the script's input/output formats. */ enum Format { NotUsed, Cjson, Cml, Mdl, Pdb, Sdf, Xyz }; FileFormatScript(const QString& scriptFileName = ""); ~FileFormatScript() override; /** * Configure the interpreter for package-based (pixi) execution. */ void setPackageInfo(const QString& packageDir, const QString& command, const QString& identifier); /** * Populate metadata fields from a QVariantMap (e.g. from pyproject.toml) * instead of calling the script with --metadata. */ void readMetaData(const QVariantMap& metadata); QString scriptFilePath() const; Format inputFormat() const { return m_inputFormat; } Format outputFormat() const { return m_outputFormat; } bool isValid() const { return m_valid; } FileFormat* newInstance() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; bool readFile(const std::string& fileName, Core::Molecule& molecule) override; bool writeFile(const std::string& fileName, const Core::Molecule& molecule) override; Operations supportedOperations() const override { return m_operations; } std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description; } std::string specificationUrl() const override { return m_specificationUrl; } std::vector fileExtensions() const override { return m_fileExtensions; } std::vector mimeTypes() const override { return m_mimeTypes; } private: static Format stringToFormat(const std::string& str); static std::string formatToString(Format fmt); static Io::FileFormat* createFileFormat(Format fmt); void resetMetaData(); void copyMetaDataFrom(const FileFormatScript& other); private: QtGui::PythonScript* m_interpreter; bool m_valid; bool m_bondOnRead; bool m_inputModeFile; bool m_outputModeFile; Operations m_operations; Format m_inputFormat; Format m_outputFormat; std::string m_identifier; std::string m_name; std::string m_description; std::string m_specificationUrl; std::vector m_fileExtensions; std::vector m_mimeTypes; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FILEFORMATSCRIPT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/formatScripts/000077500000000000000000000000001516317240700317225ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/formatScripts/zyx.py000066400000000000000000000044301516317240700331270ustar00rootroot00000000000000# This source file is part of the Avogadro project. # This source code is released under the 3-Clause BSD License, (see "LICENSE"). import argparse import json import sys def getMetaData(): metaData = {} metaData['inputFormat'] = 'xyz' metaData['outputFormat'] = 'xyz' metaData['operations'] = ['read', 'write'] metaData['identifier'] = 'ZYX Example Format' metaData['name'] = 'ZYX' metaData['description'] = "Mostly useless file format that reads xyz-style " +\ "files with reversed coordinates. Demonstrates " +\ "the implementation of a user-scripted file format." metaData['fileExtensions'] = ['zyx'] metaData['mimeTypes'] = ['chemical/x-zyx'] return metaData def write(): result = "" # Just copy the first two lines: numAtoms and comment/title result += sys.stdin.readline() result += sys.stdin.readline() for line in sys.stdin: words = line.split() result += '%-3s %9.5f %9.5f %9.5f' %\ (words[0], float(words[3]), float(words[2]), float(words[1])) if len(words) > 4: result += words[4:].join(' ') result += '\n' return result def read(): result = "" # Just copy the first two lines: numAtoms and comment/title result += sys.stdin.readline() result += sys.stdin.readline() for line in sys.stdin: words = line.split() result += '%-3s %9.5f %9.5f %9.5f' %\ (words[0], float(words[3]), float(words[2]), float(words[1])) if len(words) > 4: result += words[4:].join(' ') result += '\n' return result if __name__ == "__main__": parser = argparse.ArgumentParser('Example file format script.') parser.add_argument('--metadata', action='store_true') parser.add_argument('--read', action='store_true') parser.add_argument('--write', action='store_true') parser.add_argument('--display-name', action='store_true') parser.add_argument('--lang', nargs='?', default='en') args = vars(parser.parse_args()) if args['metadata']: print(json.dumps(getMetaData())) elif args['display_name']: print(getMetaData()['name']) elif args['read']: print(read()) elif args['write']: print(write()) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/scriptfileformats.cpp000066400000000000000000000074431516317240700333360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptfileformats.h" #include "fileformatscript.h" #include #include #include #include namespace Avogadro::QtPlugins { ScriptFileFormats::ScriptFileFormats(QObject* p) : ExtensionPlugin(p) { refreshFileFormats(); // Connect to PackageManager for pyproject.toml-based packages auto* pm = QtGui::PackageManager::instance(); connect(pm, &QtGui::PackageManager::featureRegistered, this, &ScriptFileFormats::registerFeature); connect(pm, &QtGui::PackageManager::featureRemoved, this, &ScriptFileFormats::unregisterFeature); } ScriptFileFormats::~ScriptFileFormats() {} QList ScriptFileFormats::actions() const { return QList(); } QStringList ScriptFileFormats::menuPath(QAction*) const { return QStringList(); } void ScriptFileFormats::setMolecule(QtGui::Molecule*) {} void ScriptFileFormats::refreshFileFormats() { unregisterFileFormats(); qDeleteAll(m_formats); m_formats.clear(); m_packageFormats.clear(); registerFileFormats(); } void ScriptFileFormats::unregisterFileFormats() { for (auto* format : m_formats) Io::FileFormatManager::unregisterFormat(format->identifier()); } void ScriptFileFormats::registerFileFormats() { for (auto* format : m_formats) { if (!Io::FileFormatManager::registerFormat(format->newInstance())) { qDebug() << "Could not register format" << format->identifier().c_str() << "due to name conflict."; } } } void ScriptFileFormats::registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata) { if (type != QLatin1String("file-formats")) return; auto* format = new FileFormatScript(); format->setPackageInfo(packageDir, command, identifier); format->readMetaData(metadata); if (format->isValid()) { QString managerId = QString::fromStdString(format->identifier()); if (!Io::FileFormatManager::registerFormat(format->newInstance())) { qDebug() << "Could not register file format" << identifier << "due to name conflict."; delete format; } else { m_formats.push_back(format); m_packageFormats.insert(QtGui::PackageManager::packageFeatureKey( packageDir, command, identifier), managerId); } } else { delete format; } } void ScriptFileFormats::unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier) { if (type != QLatin1String("file-formats")) return; const QString featureKey = QtGui::PackageManager::packageFeatureKey(packageDir, command, identifier); const QList managerIds = m_packageFormats.values(featureKey); if (managerIds.isEmpty()) return; m_packageFormats.remove(featureKey); for (const QString& managerId : managerIds) { Io::FileFormatManager::unregisterFormat(managerId.toStdString()); for (int i = m_formats.size() - 1; i >= 0; --i) { if (QString::fromStdString(m_formats[i]->identifier()) == managerId) delete m_formats.takeAt(i); } } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/scriptfileformats/scriptfileformats.h000066400000000000000000000036341516317240700330010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTFILEFORMATS_H #define AVOGADRO_QTPLUGINS_SCRIPTFILEFORMATS_H #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief This extension registers FileFormat reader/writers that are * implemented as external scripts. */ class ScriptFileFormats : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ScriptFileFormats(QObject* parent = nullptr); ~ScriptFileFormats() override; QString name() const override { return tr("Script File Formats"); } QString description() const override { return tr("Load file reader/writers from external scripts."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; /** * Handle a feature registered by PackageManager. */ void registerFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier, const QVariantMap& metadata); /** * Handle a feature removed by PackageManager. */ void unregisterFeature(const QString& type, const QString& packageDir, const QString& command, const QString& identifier); private: QList m_formats; QMultiHash m_packageFormats; void refreshFileFormats(); void unregisterFileFormats(); void registerFileFormats(); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_QUANTUMOUTPUT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/select/000077500000000000000000000000001516317240700246015ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/select/CMakeLists.txt000066400000000000000000000001731516317240700273420ustar00rootroot00000000000000avogadro_plugin(Select "Extension that modifies selections." ExtensionPlugin select.h Select "select.cpp" "" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/select/select.cpp000066400000000000000000000434561516317240700266000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "select.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { Select::Select(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_elements(nullptr), m_layerManager("Select") { auto* action = new QAction(tr("Select All"), this); action->setShortcut(QKeySequence("Ctrl+A")); action->setProperty("menu priority", 990); connect(action, SIGNAL(triggered()), SLOT(selectAll())); m_actions.append(action); action = new QAction(tr("Select None"), this); action->setShortcut(QKeySequence("Ctrl+Shift+A")); action->setProperty("menu priority", 980); connect(action, SIGNAL(triggered()), SLOT(selectNone())); m_actions.append(action); action = new QAction(this); action->setSeparator(true); action->setProperty("menu priority", 970); m_actions.append(action); action = new QAction(tr("Invert Selection"), this); action->setProperty("menu priority", 890); connect(action, SIGNAL(triggered()), SLOT(invertSelection())); m_actions.append(action); action = new QAction(tr("Select by Element…"), this); action->setProperty("menu priority", 880); connect(action, SIGNAL(triggered()), SLOT(selectElement())); m_actions.append(action); action = new QAction(tr("Select by Atom Index…"), this); action->setProperty("menu priority", 870); connect(action, SIGNAL(triggered()), SLOT(selectAtomIndex())); m_actions.append(action); action = new QAction(tr("Select by Residue…"), this); action->setProperty("menu priority", 860); connect(action, SIGNAL(triggered()), SLOT(selectResidue())); m_actions.append(action); action = new QAction(tr("Select Backbone Atoms…"), this); action->setProperty("menu priority", 858); connect(action, SIGNAL(triggered()), SLOT(selectBackboneAtoms())); m_actions.append(action); action = new QAction(tr("Select Sidechain Atoms…"), this); action->setProperty("menu priority", 855); connect(action, SIGNAL(triggered()), SLOT(selectSidechainAtoms())); m_actions.append(action); action = new QAction(tr("Select Water"), this); action->setProperty("menu priority", 850); connect(action, SIGNAL(triggered()), SLOT(selectWater())); m_actions.append(action); action = new QAction(this); action->setProperty("menu priority", 840); action->setSeparator(true); m_actions.append(action); action = new QAction(tr("Enlarge Selection"), this); action->setProperty("menu priority", 790); connect(action, SIGNAL(triggered()), SLOT(enlargeSelection())); m_actions.append(action); action = new QAction(tr("Shrink Selection"), this); action->setProperty("menu priority", 780); connect(action, SIGNAL(triggered()), SLOT(shrinkSelection())); m_actions.append(action); action = new QAction(this); action->setProperty("menu priority", 700); action->setSeparator(true); m_actions.append(action); action = new QAction(tr("Create New Layer from Selection"), this); action->setProperty("menu priority", 300); connect(action, SIGNAL(triggered()), SLOT(createLayerFromSelection())); m_actions.append(action); } Select::~Select() { if (m_elements) m_elements->deleteLater(); } QString Select::description() const { return tr("Change selections"); } QList Select::actions() const { return m_actions; } QStringList Select::menuPath(QAction*) const { return QStringList() << tr("&Select"); } void Select::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool Select::evalSelect(bool input, Index index) const { return !m_layerManager.atomLocked(index) && input; } void Select::selectAll() { if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i)); } m_molecule->emitChanged(Molecule::Atoms); } } void Select::selectNone() { if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); m_molecule->emitChanged(Molecule::Atoms); } } void Select::selectElement() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; if (m_elements == nullptr) { m_elements = new QtGui::PeriodicTableView(qobject_cast(parent())); connect(m_elements, SIGNAL(elementChanged(int)), this, SLOT(selectElement(int))); } m_elements->show(); } void Select::selectElement(int element) { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QString undoText = tr("Select Element"); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomicNumber(i) == element) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } else m_molecule->undoMolecule()->setAtomSelected(i, false, undoText); } m_molecule->emitChanged(Molecule::Atoms); } bool Select::isWaterOxygen(Index i) { if (m_molecule->atomicNumber(i) != 8) return false; // check to see if it has two bonds auto bonds = m_molecule->bonds(i); if (bonds.size() != 2) return false; // check to see that both bonds are to hydrogens for (auto& bond : bonds) { if (m_molecule->atomicNumber(bond.getOtherAtom(i).index()) != 1) return false; } return true; } void Select::selectWater() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QString undoText = tr("Select Water"); for (Index i = 0; i < m_molecule->atomCount(); ++i) { auto atomicNumber = m_molecule->atomicNumber(i); if (atomicNumber == 8 && isWaterOxygen(i)) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i)); continue; } else if (atomicNumber == 1) { // check if it's attached to a water oxygen auto bonds = m_molecule->bonds(i); bool isWater = false; // check the bonds for a water oxygen for (auto& bond : bonds) { if (isWaterOxygen(bond.getOtherAtom(i).index())) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); isWater = true; break; } } if (!isWater) m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); continue; } m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); } // also select water residues (which may be isolated "O" atoms) for (const auto& residue : m_molecule->residues()) { if (residue.residueName() == "HOH") { for (auto atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectBackboneAtoms() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; // unselect everything selectNone(); QString undoText = tr("Select Backbone"); for (const auto& residue : m_molecule->residues()) { for (auto atom : residue.residueAtoms()) { auto name = residue.atomName(atom); if (name == "CA" || name == "C" || name == "N" || name == "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } // also select hydrogens connected to the backbone atoms if (atom.atomicNumber() == 1) { auto bonds = m_molecule->bonds(atom.index()); if (bonds.size() == 1) { auto otherAtom = bonds[0].getOtherAtom(atom.index()); auto otherName = residue.atomName(otherAtom); if (otherName == "CA" || otherName == "C" || otherName == "N" || otherName == "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } } } } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectSidechainAtoms() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; // unselect everything selectNone(); QString undoText = tr("Select Sidechain"); for (const auto& residue : m_molecule->residues()) { for (auto atom : residue.residueAtoms()) { auto name = residue.atomName(atom); if (name != "CA" && name != "C" && name != "N" && name != "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } // or is it a hydrogen connected to a backbone atom? // (then we don't want to select it) if (atom.atomicNumber() == 1) { auto bonds = m_molecule->bonds(atom.index()); if (bonds.size() == 1) { auto otherAtom = bonds[0].getOtherAtom(atom.index()); auto otherName = residue.atomName(otherAtom); if (otherName == "CA" || otherName == "C" || otherName == "N" || otherName == "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); } } } } } m_molecule->emitChanged(Molecule::Atoms); } Vector3 Select::getSelectionCenter() { Vector3 center(0, 0, 0); int count = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { center += m_molecule->atomPosition3d(i); ++count; } } if (count > 0) center /= count; return center; } void Select::enlargeSelection() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center = getSelectionCenter(); // find the current max distance of the selection Real maxDistance = 0.0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { // we'll use the squaredNorm to save a bunch of square roots Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance > maxDistance) maxDistance = distance; } } maxDistance = sqrt(maxDistance) + 2.5; maxDistance *= maxDistance; // square to compare with .squaredNorm() values QString undoText = tr("Enlarge Selection"); // now select all atoms within the NEW max distance for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) { Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance < maxDistance) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } } m_molecule->emitChanged(Molecule::Atoms); } void Select::shrinkSelection() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center = getSelectionCenter(); // find the current max distance of the selection Real maxDistance = 0.0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { // we'll use the squaredNorm to save a bunch of square roots Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance > maxDistance) maxDistance = distance; } } maxDistance = sqrt(maxDistance) - 2.5; if (maxDistance < 0.0) maxDistance = 0.0; maxDistance *= maxDistance; // square to compare with .squaredNorm() values QString undoText = tr("Shrink Selection"); // now select ONLY atoms within the NEW max distance for (Index i = 0; i < m_molecule->atomCount(); ++i) { Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance < maxDistance) m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); else m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectAtomIndex() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool ok; QString text = QInputDialog::getText( qobject_cast(parent()), tr("Select Atoms by Index"), tr("Atoms to Select:"), QLineEdit::Normal, QString(), &ok); if (!ok || text.isEmpty()) return; QString undoText = tr("Select Atom"); auto list = text.simplified().split(','); foreach (const QString item, list) { // check if it's a range if (item.contains('-')) { auto range = item.split('-'); if (range.size() == 2) { bool ok1, ok2; int k = m_molecule->atomCount(); int start = range.first().toInt(&ok1); int last = range.back().toInt(&ok2); if (ok1 && ok2) { if (start < k) for (int i = start; i <= last; ++i) m_molecule->undoMolecule()->setAtomSelected( i, evalSelect(true, i), undoText); } } } else { int i = item.toInt(&ok); int k = m_molecule->atomCount(); if (ok) if (i < k) m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectResidue() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool ok; QString text = QInputDialog::getText( qobject_cast(parent()), tr("Select Atoms by Residue"), tr("Residues to Select:"), QLineEdit::Normal, QString(), &ok); if (!ok || text.isEmpty()) return; QString undoText = tr("Select Residue"); auto list = text.simplified().split(','); foreach (const QString item, list) { const QString label = item.simplified(); // get rid of whitespace // check if it's a number - select that residue index int index = label.toInt(&ok); if (ok) { auto residueList = m_molecule->residues(); if (index >= 1 && index < static_cast(residueList.size())) { auto residue = residueList[index]; for (auto& atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } // index makes sense continue; } // okay it's not just a number, so see if it's HIS57, etc. QRegularExpression re("([a-zA-Z]+)([0-9]+)"); QRegularExpressionMatch match = re.match(label); if (match.hasMatch()) { QString name = match.captured(1); index = match.captured(2).toInt(); auto residueList = m_molecule->residues(); if (index >= 1 && index < static_cast(residueList.size())) { auto residue = residueList[index]; if (name == residue.residueName().c_str()) { for (auto atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } // check if name matches specified (e.g. HIS57 is really a HIS) } // index makes sense } else { // standard residue name for (const auto& residue : m_molecule->residues()) { if (label == residue.residueName().c_str()) { // select the atoms of the residue for (auto atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } // residue matches label } // for(residues) continue; } // 3-character labels } m_molecule->emitChanged(Molecule::Atoms); } void Select::invertSelection() { if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected( i, evalSelect(!m_molecule->atomSelected(i), i), tr("Invert Selection")); m_molecule->emitChanged(Molecule::Atoms); } } void Select::createLayerFromSelection() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QtGui::RWMolecule* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Change Layer")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Layers | Molecule::Modified; auto& layerInfo = Core::LayerManager::getMoleculeInfo(m_molecule)->layer; QtGui::RWLayerManager rwLayerManager; rwLayerManager.addLayer(rwmol); int layer = layerInfo.maxLayer(); for (Index i = 0; i < rwmol->atomCount(); ++i) { auto a = rwmol->atom(i); if (a.selected()) { a.setLayer(layer); } } rwmol->endMergeMode(); rwmol->emitChanged(changes); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/select/select.h000066400000000000000000000033671516317240700262420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SELECT_H #define AVOGADRO_QTPLUGINS_SELECT_H #include #include #include namespace Avogadro { namespace QtGui { class PeriodicTableView; } namespace QtPlugins { /** * @brief The Select class is an extension to modify selections */ class Select : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Select(QObject* parent_ = nullptr); ~Select() override; QString name() const override { return tr("Select"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void selectAll(); void selectNone(); void invertSelection(); void selectElement(); void selectAtomIndex(); void selectElement(int element); void selectResidue(); void selectBackboneAtoms(); void selectSidechainAtoms(); void selectWater(); bool isWaterOxygen(Index i); void enlargeSelection(); void shrinkSelection(); Vector3 getSelectionCenter(); void createLayerFromSelection(); private: QList m_actions; QtGui::Molecule* m_molecule; QtGui::PeriodicTableView* m_elements; QtGui::PluginLayerManager m_layerManager; bool evalSelect(bool input, Index index) const; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SELECT_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/000077500000000000000000000000001516317240700262055ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/CMakeLists.txt000066400000000000000000000005251516317240700307470ustar00rootroot00000000000000set(tool_srcs selectiontool.cpp selectiontoolwidget.cpp ) set(tool_uis selectiontoolwidget.ui ) set(tool_rcs selectiontool.qrc) avogadro_plugin(Selection "Selection tool" ToolPlugin selectiontool.h SelectionTool "${tool_srcs}" "${tool_uis}" "${tool_rcs}" ) target_link_libraries(Selection PRIVATE Avogadro::QtOpenGL) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selection_dark.svg000066400000000000000000000005651516317240700317220ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selection_light.svg000066400000000000000000000007051516317240700321040ustar00rootroot00000000000000 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selectiontool.cpp000066400000000000000000000256121516317240700316020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "selectiontool.h" #include "selectiontoolwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWMolecule; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::MeshGeometry; namespace Avogadro::QtPlugins { SelectionTool::SelectionTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_toolWidget(nullptr), m_drawSelectionBox(false), m_doubleClick(false), m_initSelectionBox(false), m_layerManager("Selection Tool") { QString shortcut = tr("Ctrl+4", "control-key 4"); m_activateAction->setText(tr("Selection")); m_activateAction->setToolTip( tr("Selection Tool\t(%1)\n\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment.") .arg(shortcut)); setIcon(); } SelectionTool::~SelectionTool() {} void SelectionTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/selection_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/selection_light.svg")); } QWidget* SelectionTool::toolWidget() const { if (m_toolWidget == nullptr) { m_toolWidget = new SelectionToolWidget(qobject_cast(parent())); connect(m_toolWidget, SIGNAL(colorApplied(Vector3ub)), this, SLOT(applyColor(Vector3ub))); connect(m_toolWidget, SIGNAL(changeLayer(int)), this, SLOT(applyLayer(int))); } return m_toolWidget; } QUndoCommand* SelectionTool::mousePressEvent(QMouseEvent* e) { if (e->button() != Qt::LeftButton || !m_renderer) { m_initSelectionBox = false; return nullptr; } m_drawSelectionBox = false; m_initSelectionBox = true; m_start = Vector2(e->pos().x(), e->pos().y()); m_end = m_start; e->accept(); return nullptr; } QUndoCommand* SelectionTool::mouseReleaseEvent(QMouseEvent* e) { // If the click is released on an atom, add it to the list if (e->button() != Qt::LeftButton || !m_renderer || m_doubleClick) { m_doubleClick = false; return nullptr; } // Assess whether the selection box is big enough to use, or a mis-click. m_end = Vector2(e->pos().x(), e->pos().y()); Vector2f start(m_start.x() < m_end.x() ? m_start.x() : m_end.x(), m_start.y() < m_end.y() ? m_start.y() : m_end.y()); Vector2f end(m_start.x() > m_end.x() ? m_start.x() : m_end.x(), m_start.y() > m_end.y() ? m_start.y() : m_end.y()); bool bigEnough = fabs(start.x() - end.x()) > 2 && fabs(start.y() - end.y()) > 2; bool anySelect = false; Index selectedIndex = MaxIndex; if (m_drawSelectionBox && bigEnough) { shouldClean(e); m_initSelectionBox = false; auto hits = m_renderer->hits(start.x(), start.y(), end.x(), end.y()); for (const auto& hit : hits) { if (hit.type == Rendering::AtomType) { anySelect = selectAtom(e, hit.index) || anySelect; selectedIndex = hit.index; } } } else { // Single click m_start = Vector2(e->pos().x(), e->pos().y()); m_end = m_start; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // Now add the atom on release. if (hit.type == Rendering::AtomType) { // store the result in case it's a toggle bool selected = selectAtom(e, hit.index); shouldClean(e); if (selected) { anySelect = addAtom(hit.index); selectedIndex = hit.index; } else { anySelect = removeAtom(hit.index); selectedIndex = hit.index; } } } if (anySelect && m_toolWidget != nullptr) { m_toolWidget->setDropDown(m_layerManager.getLayerID(selectedIndex), m_layerManager.layerCount()); } m_drawSelectionBox = false; // Disable this code until rectangle selection is ready. emit drawablesChanged(); e->accept(); return nullptr; } QUndoCommand* SelectionTool::mouseDoubleClickEvent(QMouseEvent* e) { if (e->button() == Qt::LeftButton) { m_doubleClick = true; m_initSelectionBox = false; Vector2 select = Vector2(e->pos().x(), e->pos().y()); Identifier hit = m_renderer->hit(select.x(), select.y()); // Reset the atom list if (!hit.isValid()) { clearAtoms(); } else { shouldClean(e); m_drawSelectionBox = false; // resync the select from simple click only on control if (e->modifiers() & Qt::ControlModifier) { toggleAtom(hit.index); } selectLinkedMolecule(e, hit.index); emit drawablesChanged(); e->accept(); } } return nullptr; } // namespace QtPlugins QUndoCommand* SelectionTool::mouseMoveEvent(QMouseEvent* e) { // Disable this code until rectangle selection is ready. if (m_initSelectionBox) { m_drawSelectionBox = true; m_end = Vector2(e->pos().x(), e->pos().y()); emit drawablesChanged(); e->accept(); } return nullptr; } QUndoCommand* SelectionTool::keyPressEvent(QKeyEvent*) { return nullptr; } void SelectionTool::draw(Rendering::GroupNode& node) { if (!m_drawSelectionBox || !m_initSelectionBox) { node.clear(); return; } auto* geo = new GeometryNode; node.addChild(geo); auto* mesh = new MeshGeometry; mesh->setRenderPass(Rendering::Overlay2DPass); Array verts(4); Vector3f start(m_start.x() < m_end.x() ? m_start.x() : m_end.x(), m_start.y() < m_end.y() ? m_start.y() : m_end.y(), 0.0f); Vector3f end(m_start.x() > m_end.x() ? m_start.x() : m_end.x(), m_start.y() > m_end.y() ? m_start.y() : m_end.y(), 0.0f); start.y() = m_renderer->overlayCamera().height() - start.y(); end.y() = m_renderer->overlayCamera().height() - end.y(); verts[0] = Vector3f(start.x(), end.y(), 0.0f); verts[1] = Vector3f(end.x(), end.y(), 0.0f); verts[2] = Vector3f(start.x(), start.y(), 0.0f); verts[3] = Vector3f(end.x(), start.y(), 0.0f); const Vector3f normal = verts[0].cross(verts[1]).normalized(); Array norms(4, normal); Array indices(6); indices[0] = 0; indices[1] = 1; indices[2] = 2; indices[3] = 2; indices[4] = 1; indices[5] = 3; mesh->setColor(Vector3ub(200, 200, 0)); mesh->setOpacity(180); mesh->addVertices(verts, norms); mesh->addTriangles(indices); geo->addDrawable(mesh); } void SelectionTool::applyColor(Vector3ub color) { RWMolecule* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Paint Atoms")); for (Index i = 0; i < rwmol->atomCount(); ++i) { auto a = rwmol->atom(i); if (a.selected()) a.setColor(color); } rwmol->endMergeMode(); rwmol->emitChanged(Molecule::Atoms | Molecule::Modified); } void SelectionTool::applyLayer(int layer) { if (layer <= 0 || m_molecule == nullptr) { return; } RWMolecule* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Change Layer")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; // qDebug() << "SelectionTool::applyLayer" << layer << " layerCount " << // m_layerManager.layerCount(); if (layer >= static_cast(m_layerManager.layerCount())) { // add a new layer auto& layerInfo = Core::LayerManager::getMoleculeInfo(m_molecule)->layer; QtGui::RWLayerManager rwLayerManager; rwLayerManager.addLayer(rwmol); layer = layerInfo.maxLayer(); // update the menu too if (m_toolWidget != nullptr) m_toolWidget->setDropDown(layer, m_layerManager.layerCount()); changes |= Molecule::Layers | Molecule::Added; } for (Index i = 0; i < rwmol->atomCount(); ++i) { auto a = rwmol->atom(i); if (a.selected()) { a.setLayer(layer); } } rwmol->endMergeMode(); rwmol->emitChanged(changes); } void SelectionTool::selectLinkedMolecule(QMouseEvent* e, Index atom) { auto connectedAtoms = m_molecule->graph().connectedComponent(atom); for (auto a : connectedAtoms) { selectAtom(e, a); } } void SelectionTool::clearAtoms() { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); } bool SelectionTool::addAtom(const Index& atom) { m_molecule->undoMolecule()->setAtomSelected(atom, true); return true; } bool SelectionTool::removeAtom(const Index& atom) { m_molecule->undoMolecule()->setAtomSelected(atom, false); return true; } bool SelectionTool::toggleAtom(const Index& atom) { Atom a = m_molecule->atom(atom); m_molecule->undoMolecule()->setAtomSelected(atom, !a.selected()); return a.selected(); } bool SelectionTool::shouldClean(QMouseEvent* e) { // accumulate the selection if shift or ctrl are presset if (!(e->modifiers() & Qt::ControlModifier) && !(e->modifiers() & Qt::ShiftModifier)) { clearAtoms(); return true; } return false; } bool SelectionTool::selectAtom(QMouseEvent* e, const Index& index) { if (m_layerManager.atomLocked(index)) { return false; } // control toggles the selection if (e->modifiers() & Qt::ControlModifier) { return toggleAtom(index); } // shift and default selection adds else if (e->modifiers() & Qt::ShiftModifier || m_drawSelectionBox) { return addAtom(index); } // default toggle else { return toggleAtom(index); } } void SelectionTool::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { m_molecule = mol; } size_t currentLayer = 0; size_t maxLayers = 1; if (m_molecule && !m_molecule->isSelectionEmpty()) { // find a selected atom Index selectedIndex = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { auto a = m_molecule->atom(i); if (a.selected()) selectedIndex = i; break; } currentLayer = m_layerManager.getLayerID(selectedIndex); maxLayers = m_layerManager.layerCount(); } if (m_toolWidget != nullptr) m_toolWidget->setDropDown(currentLayer, maxLayers); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selectiontool.h000066400000000000000000000050541516317240700312450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SelectionTool_H #define AVOGADRO_QTPLUGINS_SelectionTool_H #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class SelectionToolWidget; /** * @brief SelectionTool selects atoms and bonds from the screen. */ class SelectionTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit SelectionTool(QObject* parent_ = nullptr); ~SelectionTool() override; QString name() const override { return tr("Selection tool"); } QString description() const override { return tr("Selection tool"); } unsigned char priority() const override { return 25; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule*) override; void setGLRenderer(Rendering::GLRenderer* renderer) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private slots: void applyColor(Vector3ub color); void applyLayer(int layer); private: void clearAtoms(); bool selectAtom(QMouseEvent* e, const Index& atom); bool addAtom(const Index& atom); bool removeAtom(const Index& atom); bool toggleAtom(const Index& atom); bool shouldClean(QMouseEvent* e); void selectLinkedMolecule(QMouseEvent* e, Index atom); QAction* m_activateAction; QtGui::Molecule* m_molecule; Rendering::GLRenderer* m_renderer; mutable SelectionToolWidget* m_toolWidget; bool m_drawSelectionBox; bool m_doubleClick; bool m_initSelectionBox; Vector2 m_start; Vector2 m_end; QtGui::PluginLayerManager m_layerManager; }; inline void SelectionTool::setGLRenderer(Rendering::GLRenderer* renderer) { m_renderer = renderer; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SelectionTool_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selectiontool.qrc000066400000000000000000000002171516317240700315770ustar00rootroot00000000000000 selection_light.svg selection_dark.svg OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp000066400000000000000000000040611516317240700330010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "selectiontoolwidget.h" #include "ui_selectiontoolwidget.h" #include namespace Avogadro::QtPlugins { SelectionToolWidget::SelectionToolWidget(QWidget* parent) : QWidget(parent), m_ui(new Ui::SelectionToolWidget) { m_ui->setupUi(this); setDropDown(0, 1); connect(m_ui->applyColorButton, SIGNAL(clicked()), this, SLOT(userClickedColor())); } SelectionToolWidget::~SelectionToolWidget() { delete m_ui; } void SelectionToolWidget::setDropDown(size_t current, size_t max) { // disconnect the signal so we don't send it accidentally disconnect(m_ui->changeLayerDropDown, nullptr, nullptr, nullptr); m_ui->changeLayerDropDown->clear(); for (size_t i = 0; i < max; ++i) { m_ui->changeLayerDropDown->addItem(QString::number(i + 1)); } m_ui->changeLayerDropDown->addItem(tr("New Layer")); if (current != static_cast(m_ui->changeLayerDropDown->currentIndex())) m_ui->changeLayerDropDown->setCurrentIndex(static_cast(current)); // reconnect the signal connect(m_ui->changeLayerDropDown, SIGNAL(currentIndexChanged(int)), this, SIGNAL(changeLayer(int))); } void SelectionToolWidget::userClickedColor() { QColorDialog dlg(this); QPalette pal = m_ui->applyColorButton->palette(); dlg.setCurrentColor(pal.color(QPalette::Button)); if (dlg.exec()) { QColor new_color = dlg.currentColor(); pal.setColor(QPalette::Button, new_color); m_ui->applyColorButton->setPalette(pal); m_ui->applyColorButton->update(); Vector3ub color; color[0] = static_cast(new_color.red()); color[1] = static_cast(new_color.green()); color[2] = static_cast(new_color.blue()); emit colorApplied(color); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selectiontoolwidget.h000066400000000000000000000020001516317240700324350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SELECTIONTOOLWIDGET_H #define AVOGADRO_QTPLUGINS_SELECTIONTOOLWIDGET_H #include #include namespace Avogadro { namespace QtPlugins { namespace Ui { class SelectionToolWidget; } class SelectionToolWidget : public QWidget { Q_OBJECT public: explicit SelectionToolWidget(QWidget* parent = nullptr); ~SelectionToolWidget() override; void setDropDown(size_t current, size_t max); signals: void colorApplied(Vector3ub color); void changeLayer(int layer); private slots: void userClickedColor(); private: Ui::SelectionToolWidget* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SELECTIONTOOLWIDGET_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/selectiontool/selectiontoolwidget.ui000066400000000000000000000023741516317240700326410ustar00rootroot00000000000000 Avogadro::QtPlugins::SelectionToolWidget 0 0 400 300 Form Apply Color true Change Layer OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spacegroup/000077500000000000000000000000001516317240700254725ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spacegroup/CMakeLists.txt000066400000000000000000000003371516317240700302350ustar00rootroot00000000000000set(spacegroup_srcs spacegroup.cpp ) set(spacegroup_uis ) avogadro_plugin(SpaceGroup "Space group features for crystals." ExtensionPlugin spacegroup.h SpaceGroup "${spacegroup_srcs}" "${spacegroup_uis}" ) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spacegroup/spacegroup.cpp000066400000000000000000000701641516317240700303560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spacegroup.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::AvoSpglib; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RichTextDelegate; namespace Avogadro::QtPlugins { SpaceGroup::SpaceGroup(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_spgTol(1e-5), m_perceiveSpaceGroupAction(new QAction(this)), m_reduceToPrimitiveAction(new QAction(this)), m_conventionalizeCellAction(new QAction(this)), m_symmetrizeAction(new QAction(this)), m_fillTranslationalCellAction(new QAction(this)), m_fillUnitCellAction(new QAction(this)), m_reduceToAsymmetricUnitAction(new QAction(this)), m_setToleranceAction(new QAction(this)) { m_perceiveSpaceGroupAction->setText(tr("Perceive Space Group…")); connect(m_perceiveSpaceGroupAction, SIGNAL(triggered()), SLOT(perceiveSpaceGroup())); m_actions.push_back(m_perceiveSpaceGroupAction); m_perceiveSpaceGroupAction->setProperty("menu priority", 90); m_reduceToPrimitiveAction->setText(tr("Reduce to Primitive")); connect(m_reduceToPrimitiveAction, SIGNAL(triggered()), SLOT(reduceToPrimitive())); m_actions.push_back(m_reduceToPrimitiveAction); m_reduceToPrimitiveAction->setProperty("menu priority", 80); m_conventionalizeCellAction->setText(tr("Conventionalize Cell")); connect(m_conventionalizeCellAction, SIGNAL(triggered()), SLOT(conventionalizeCell())); m_actions.push_back(m_conventionalizeCellAction); m_conventionalizeCellAction->setProperty("menu priority", 70); m_symmetrizeAction->setText(tr("Symmetrize")); connect(m_symmetrizeAction, SIGNAL(triggered()), SLOT(symmetrize())); m_actions.push_back(m_symmetrizeAction); m_symmetrizeAction->setProperty("menu priority", 60); m_reduceToAsymmetricUnitAction->setText(tr("Reduce to Asymmetric Unit")); connect(m_reduceToAsymmetricUnitAction, SIGNAL(triggered()), SLOT(reduceToAsymmetricUnit())); m_actions.push_back(m_reduceToAsymmetricUnitAction); m_reduceToAsymmetricUnitAction->setProperty("menu priority", 40); m_setToleranceAction->setText(tr("Set Tolerance…")); connect(m_setToleranceAction, SIGNAL(triggered()), SLOT(setTolerance())); m_actions.push_back(m_setToleranceAction); m_setToleranceAction->setProperty("menu priority", 0); // should fall next to the "Wrap Atoms to Unit Cell" action on Crystal menu m_fillUnitCellAction->setText(tr("Fill Unit Cell…")); connect(m_fillUnitCellAction, SIGNAL(triggered()), SLOT(fillUnitCell())); m_actions.push_back(m_fillUnitCellAction); m_fillUnitCellAction->setProperty("menu priority", 185); m_fillTranslationalCellAction->setText(tr( "Fill Translation Cell…", "fill the translationally unique repeat unit")); connect(m_fillTranslationalCellAction, SIGNAL(triggered()), SLOT(fillTranslationalCell())); m_actions.push_back(m_fillTranslationalCellAction); m_fillTranslationalCellAction->setProperty("menu priority", 184); updateActions(); } SpaceGroup::~SpaceGroup() { qDeleteAll(m_actions); m_actions.clear(); } QList SpaceGroup::actions() const { return m_actions; } QStringList SpaceGroup::menuPath(QAction* action) const { if (action == m_fillUnitCellAction || action == m_fillTranslationalCellAction) return QStringList() << tr("&Crystal"); return QStringList() << tr("&Crystal") << tr("Space Group"); } void SpaceGroup::registerCommands() { emit registerCommand( "fillUnitCell", tr("Fill symmetric atoms based on the crystal space group.")); emit registerCommand("fillTranslationalCell", tr("Fill all atoms based on the crystal space group.")); } bool SpaceGroup::handleCommand(const QString& command, [[maybe_unused]] const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "fillUnitCell") { fillUnitCell(); return true; } else if (command == "fillTranslationalCell") { fillTranslationalCell(); return true; } return false; } const QString SpaceGroup::toleranceToString() { // Convert to scientific notation to extract mantissa and exponent int exponent = static_cast(std::floor(std::log10(m_spgTol))); double mantissa = m_spgTol / std::pow(10.0, exponent); // UTF-8 superscript characters const QString superscriptDigits[] = { QStringLiteral("⁰"), QStringLiteral("¹"), QStringLiteral("²"), QStringLiteral("³"), QStringLiteral("⁴"), QStringLiteral("⁵"), QStringLiteral("⁶"), QStringLiteral("⁷"), QStringLiteral("⁸"), QStringLiteral("⁹") }; const QString superscriptMinus = QStringLiteral("⁻"); // Build the exponent string with superscripts QString expStr; int absExp = std::abs(exponent); if (exponent < 0) expStr += superscriptMinus; QString digits = QString::number(absExp); for (const QChar& c : digits) { expStr += superscriptDigits[c.digitValue()]; } return QStringLiteral("%1 × 10%2").arg(mantissa, 0, 'f', 1).arg(expStr); } const QString SpaceGroup::symbolToString(unsigned short hallNumber, bool replaceOverlines) { QString symbol(Core::SpaceGroups::internationalShort(hallNumber)); // Replace -N notation with N̅ (number with combining overline U+0305) // for rotoinversion axes in Hermann-Mauguin symbols if (replaceOverlines) { QString htmlOverline( "%1"); symbol.replace(QStringLiteral("-1"), htmlOverline.arg(QStringLiteral("1"))); symbol.replace(QStringLiteral("-2"), htmlOverline.arg(QStringLiteral("2"))); symbol.replace(QStringLiteral("-3"), htmlOverline.arg(QStringLiteral("3"))); symbol.replace(QStringLiteral("-4"), htmlOverline.arg(QStringLiteral("4"))); symbol.replace(QStringLiteral("-6"), htmlOverline.arg(QStringLiteral("6"))); } // Replace screw axis notation with subscripts // e.g., "21" -> "2₁", "42" -> "4₂", etc. // Unicode subscript digits: ₁=U+2081, ₂=U+2082, ₃=U+2083, ₄=U+2084, ₅=U+2085 symbol.replace(QStringLiteral("2_1"), QStringLiteral("2₁")); symbol.replace(QStringLiteral("3_1"), QStringLiteral("3₁")); symbol.replace(QStringLiteral("3_2"), QStringLiteral("3₂")); symbol.replace(QStringLiteral("4_1"), QStringLiteral("4₁")); symbol.replace(QStringLiteral("4_2"), QStringLiteral("4₂")); symbol.replace(QStringLiteral("4_3"), QStringLiteral("4₃")); symbol.replace(QStringLiteral("6_1"), QStringLiteral("6₁")); symbol.replace(QStringLiteral("6_2"), QStringLiteral("6₂")); symbol.replace(QStringLiteral("6_3"), QStringLiteral("6₃")); symbol.replace(QStringLiteral("6_4"), QStringLiteral("6₄")); symbol.replace(QStringLiteral("6_5"), QStringLiteral("6₅")); return symbol; } const QString SpaceGroup::hallSymbolToString(unsigned short hallNumber) { // Format a Hall symbol like "-P 2yc" with proper super/subscripts and // overlines QString symbol(Core::SpaceGroups::hallSymbol(hallNumber)); QString newSymbol; // Superscript characters for axis directions const QSet superscriptChars = { 'x', 'y', 'z' }; // HTML template for overline QString htmlOverline("%1"); // Split by spaces and process each token QStringList tokens = symbol.split(' '); bool firstToken = true; for (const QString& token : tokens) { if (!firstToken) newSymbol += ' '; firstToken = false; // Parenthesized tokens like "(0 0 1)" are output as-is if (token.startsWith('(')) { newSymbol += token; continue; } QString mainPart; QString superPart; QString subPart; QString tailPart; // For *, ″ (from =), etc. that don't get subscripted bool pastMain = false; for (int i = 0; i < token.length(); ++i) { QChar c = token[i]; // "-" means overline on the next character if (c == '-' && i + 1 < token.length()) { QChar next = token[i + 1]; mainPart += htmlOverline.arg(next); ++i; // Skip the next character since we processed it pastMain = true; continue; } if (!pastMain) { // This is the main rotation/lattice symbol - keep as-is mainPart += c; pastMain = true; } else { // Past the main symbol: x/y/z → superscript, others → subscript if (superscriptChars.contains(c)) { superPart += c; } else if (c == '*' || c == ')') { tailPart += c; } else if (c == '=') { // Double-prime character tailPart += QStringLiteral("″"); } else { subPart += c; } } } // Build the token: main + superscripts + grouped subscript + tail newSymbol += mainPart; if (!superPart.isEmpty()) { newSymbol += QStringLiteral("") + superPart + QStringLiteral(""); } if (!subPart.isEmpty()) { newSymbol += QStringLiteral("") + subPart + QStringLiteral(""); } newSymbol += tailPart; } return newSymbol; } void SpaceGroup::fillHeuristic() { // Don't re-fill when we just performed a reduce/conventionalize/symmetrize if (m_blockFillHeuristic) return; // add a heuristic to completely fill the cell if it's a solid // (vs. a molecule) — skip if the cell was already filled if (m_molecule != nullptr && m_molecule->unitCell()) { // check if there's carbon and hydrogen atoms and at least 5 total atoms bool hasCarbon = false; bool hasHydrogen = false; for (unsigned int i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atom(i).atomicNumber() == 6) hasCarbon = true; else if (m_molecule->atom(i).atomicNumber() == 1) hasHydrogen = true; if (hasCarbon && hasHydrogen) break; } if (m_molecule->atomCount() <= 250 && (m_molecule->atomCount() <= 5 || !(hasCarbon && hasHydrogen))) { fillUnitCell(); } } } void SpaceGroup::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); // possibly fill the cell fillHeuristic(); } void SpaceGroup::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); // Only fill when a new crystal is imported (not on every modification) if (changes & Molecule::NewCrystal) fillHeuristic(); } } void SpaceGroup::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void SpaceGroup::perceiveSpaceGroup() { // only do this if we don't have a Hall number set if (m_molecule == nullptr) return; if (m_molecule->hallNumber() != 0) { // Ask if the user wants to overwrite the current space group std::string hallSymbol = Core::SpaceGroups::hallSymbol(m_molecule->hallNumber()); QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Perceive Space Group"), tr("The space group is already set to: %1.\n" "Would you like to overwrite it?") .arg(hallSymbol.c_str()), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) return; } unsigned short hallNumber = AvoSpglib::getHallNumber(*m_molecule, m_spgTol); unsigned short intNum = Core::SpaceGroups::internationalNumber(hallNumber); std::string hallSymbol = Core::SpaceGroups::hallSymbol(hallNumber); QString intShort = symbolToString(hallNumber); // Success! if (hallNumber != 0) { // Let's make the message QString message = tr("Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4") .arg(toleranceToString()) .arg(intNum) .arg(hallSymbol.c_str()) .arg(intShort); // Now let's make the Message Box QMessageBox::information(nullptr, tr("Perceive Space Group"), message); } // Failure else { // Ask if the user wants to try again with a different tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Failure"), tr("Space group perception failed.\n" "Would you like to try again with a " "different tolerance?"), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::Yes) { setTolerance(); perceiveSpaceGroup(); // Recursion! } } } void SpaceGroup::reduceToPrimitive() { // Confirm the tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Primitive Reduction"), tr("The tolerance is currently set to: %1.\n" "Proceed with this tolerance?") .arg(toleranceToString()), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) setTolerance(); // Primitive reduction (with boundary copies in the same undo step) m_blockFillHeuristic = true; bool success = m_molecule->undoMolecule()->reduceCellToPrimitive(m_spgTol, 0.25); m_blockFillHeuristic = false; if (!success) { // Print an error message. QMessageBox retMsgBox; retMsgBox.setText(tr("Primitive reduction failed.\n" "Please check your crystal and try again " "with a different tolerance.")); retMsgBox.exec(); } } void SpaceGroup::conventionalizeCell() { // Confirm the tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Conventionalize Cell"), tr("The tolerance is currently set to: %1.\n" "Proceed with this tolerance?") .arg(toleranceToString()), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) setTolerance(); // Conventionalize the cell (with boundary copies in the same undo step) m_blockFillHeuristic = true; bool success = m_molecule->undoMolecule()->conventionalizeCell(m_spgTol, 0.25); m_blockFillHeuristic = false; if (!success) { // Print an error message. QMessageBox retMsgBox; retMsgBox.setText(tr("Conventionalize cell failed.\n" "Please check your crystal and try again " "with a different tolerance.")); retMsgBox.exec(); } } void SpaceGroup::symmetrize() { // Confirm the tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Symmetrize Cell"), tr("The tolerance is currently set to: %1.\n" "Proceed with this tolerance?") .arg(toleranceToString()), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) setTolerance(); m_blockFillHeuristic = true; bool success = m_molecule->undoMolecule()->symmetrizeCell(m_spgTol, 0.25); m_blockFillHeuristic = false; if (!success) { // Print an error message. QMessageBox retMsgBox; retMsgBox.setText(tr("Symmetrization failed.\n" "Please check your crystal and try again " "with a different tolerance.")); retMsgBox.exec(); } } void SpaceGroup::fillUnitCell() { unsigned short hallNumber = m_molecule->hallNumber(); // If it's not set, ask the user to select a space group if (hallNumber == 0) hallNumber = selectSpaceGroup(); // If the hall number is zero, the user canceled if (hallNumber == 0) return; if (!checkPrimitiveCell(hallNumber)) return; // true here to fill all copies, including edges and corners // 0.25 indicates the distance in A that two atoms must be apart m_molecule->undoMolecule()->fillUnitCell(hallNumber, 0.25, true); } void SpaceGroup::fillTranslationalCell() { unsigned short hallNumber = m_molecule->hallNumber(); // If it's not set, ask the user to select a space group if (hallNumber == 0) hallNumber = selectSpaceGroup(); // If the hall number is zero, the user canceled if (hallNumber == 0) return; if (!checkPrimitiveCell(hallNumber)) return; // 0.25 indicates the distance in A that two atoms must be apart m_molecule->undoMolecule()->fillUnitCell(hallNumber, 0.25); } void SpaceGroup::reduceToAsymmetricUnit() { // Let's gather some information about the space group first unsigned short hallNumber = AvoSpglib::getHallNumber(*m_molecule, m_spgTol); unsigned short intNum = Core::SpaceGroups::internationalNumber(hallNumber); std::string hallSymbol = Core::SpaceGroups::hallSymbol(hallNumber); QString intShort = symbolToString(hallNumber); // Ask the user if he/she wants to use this space group QString message = tr("With a tolerance of %1 Å, " "the space group information was perceived to be the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n\n" "Proceed with this space group?") .arg(toleranceToString()) .arg(intNum) .arg(hallSymbol.c_str()) .arg(intShort); QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Reduce to Asymmetric Unit"), message, QMessageBox::Yes | QMessageBox::No); // If the user does not want to use the perceived space group, // let the user set it. if (reply == QMessageBox::No) hallNumber = selectSpaceGroup(); // If 0 was set, that means the user cancelled if (hallNumber == 0) return; // Perform the operation! m_molecule->undoMolecule()->reduceCellToAsymmetricUnit(hallNumber, m_spgTol); } void SpaceGroup::setTolerance() { bool ok; double tol = QInputDialog::getDouble(nullptr, tr("Avogadro2"), // title tr("Select tolerance in Å:"), // label m_spgTol, // initial 1e-5, // min 0.5, // max 5, // decimals &ok); if (!ok) return; m_spgTol = tol; } const QString SpaceGroup::crystalSystem(unsigned short hallNumber) { auto cs = Core::SpaceGroups::crystalSystem(hallNumber); switch (cs) { case Core::Triclinic: return tr("Triclinic"); case Core::Monoclinic: return tr("Monoclinic"); case Core::Orthorhombic: return tr("Orthorhombic"); case Core::Tetragonal: return tr("Tetragonal"); case Core::Trigonal: return tr("Trigonal"); case Core::Rhombohedral: return tr("Rhombohedral"); case Core::Hexagonal: return tr("Hexagonal"); case Core::Cubic: return tr("Cubic"); default: return tr("Unknown"); } } bool SpaceGroup::checkPrimitiveCell(unsigned short hallNumber) { // Check if the cell appears to be primitive but the space group expects // a centered cell. This can cause unexpected atom duplication. std::string hallSymbol = Core::SpaceGroups::hallSymbol(hallNumber); if (!hallSymbol.empty()) { char centering = hallSymbol[0]; // F, I, A, B, C are centered lattice types if (centering == 'F' || centering == 'I' || centering == 'A' || centering == 'B' || centering == 'C') { // Check if cell angles deviate significantly from 90 degrees // which would suggest a primitive cell basis Core::UnitCell* uc = m_molecule->unitCell(); if (uc) { double alpha = uc->alpha() * 180.0 / M_PI; double beta = uc->beta() * 180.0 / M_PI; double gamma = uc->gamma() * 180.0 / M_PI; double tolerance = 5.0; // degrees bool nonConventionalAngles = (std::abs(alpha - 90.0) > tolerance) || (std::abs(beta - 90.0) > tolerance) || (std::abs(gamma - 90.0) > tolerance); if (nonConventionalAngles) { QMessageBox::StandardButton reply; reply = QMessageBox::warning( nullptr, tr("Primitive Cell Detected"), tr( "The current unit cell appears to be a primitive cell " "(non-90° angles), but the space group %1 expects a " "centered conventional cell.\n\n" "Filling the unit cell may create unexpected duplicate atoms.\n\n" "Would you like to create a conventional cell first?") .arg(hallSymbol.c_str()), QMessageBox::Yes | QMessageBox::No | QMessageBox::Cancel); if (reply == QMessageBox::Cancel) return false; if (reply == QMessageBox::Yes) { // Conventionalize first, then fill if (!m_molecule->undoMolecule()->conventionalizeCell(m_spgTol)) { QMessageBox::warning(nullptr, tr("Error"), tr("Failed to conventionalize the cell.")); return false; } } // If No, continue with fill anyway (user's choice) } } } } return true; } unsigned short SpaceGroup::selectSpaceGroup() { QStandardItemModel spacegroups; QStringList modelHeader; modelHeader << tr("International") << tr("Hall") << tr("Hermann-Mauguin") << tr("Crystal System"); spacegroups.setHorizontalHeaderLabels(modelHeader); for (unsigned short i = 1; i <= 530; ++i) { QList row; // Use setData with int type so the column sorts numerically auto* intItem = new QStandardItem(); intItem->setData(Core::SpaceGroups::internationalNumber(i), Qt::DisplayRole); intItem->setEditable(false); intItem->setTextAlignment(Qt::AlignCenter); auto* hallItem = new QStandardItem(hallSymbolToString(i)); hallItem->setEditable(false); hallItem->setTextAlignment(Qt::AlignCenter); // true = replace the overlines with HTML auto* hmItem = new QStandardItem(symbolToString(i, true)); hmItem->setEditable(false); hmItem->setTextAlignment(Qt::AlignCenter); auto* csItem = new QStandardItem(crystalSystem(i)); csItem->setEditable(false); csItem->setTextAlignment(Qt::AlignCenter); row << intItem << hallItem << hmItem << csItem; spacegroups.appendRow(row); } // Create a proxy model for filtering QSortFilterProxyModel proxyModel; proxyModel.setSourceModel(&spacegroups); proxyModel.setFilterCaseSensitivity(Qt::CaseInsensitive); proxyModel.setFilterKeyColumn(-1); // Search all columns QDialog dialog; dialog.setLayout(new QVBoxLayout); dialog.setWindowTitle(tr("Select Space Group")); // Add search box auto* searchBox = new QLineEdit; searchBox->setClearButtonEnabled(true); // Pre-filter by crystal system based on unit cell parameters if (m_molecule && m_molecule->unitCell()) { Core::UnitCell* uc = m_molecule->unitCell(); double a = uc->a(); double b = uc->b(); double c = uc->c(); double alpha = uc->alpha() * 180.0 / M_PI; double beta = uc->beta() * 180.0 / M_PI; double gamma = uc->gamma() * 180.0 / M_PI; double angTol = 1.0; // degrees double lenTol = 0.01; // fractional bool eq_ab = std::abs(a - b) < lenTol * a; bool eq_bc = std::abs(b - c) < lenTol * b; bool eq_abc = eq_ab && eq_bc; bool a90 = std::abs(alpha - 90.0) < angTol; bool b90 = std::abs(beta - 90.0) < angTol; bool g90 = std::abs(gamma - 90.0) < angTol; bool g120 = std::abs(gamma - 120.0) < angTol; bool eq_angles = std::abs(alpha - beta) < angTol && std::abs(beta - gamma) < angTol; if (eq_abc && a90 && b90 && g90) searchBox->setText(tr("Cubic")); else if (eq_ab && a90 && b90 && g120) searchBox->setText(tr("Hexagonal")); else if (eq_ab && a90 && b90 && g90) searchBox->setText(tr("Tetragonal")); else if (eq_abc && eq_angles && !a90) searchBox->setText(tr("Rhombohedral")); else if (a90 && b90 && g90) searchBox->setText(tr("Orthorhombic")); else if ((a90 && g90 && !b90) || (a90 && b90 && !g90) || (!a90 && b90 && g90)) searchBox->setText(tr("Monoclinic")); } dialog.layout()->addWidget(searchBox); auto* view = new QTableView; // Rich text delegate for symbol auto* symbolDelegate = new RichTextDelegate(this); view->setItemDelegateForColumn(1, symbolDelegate); view->setItemDelegateForColumn(2, symbolDelegate); QFont font = view->font(); font.setPointSize(font.pointSize() + 1); view->setFont(font); view->setAlternatingRowColors(true); view->setSelectionBehavior(QAbstractItemView::SelectRows); view->setSelectionMode(QAbstractItemView::SingleSelection); view->setCornerButtonEnabled(false); view->setVerticalScrollMode(QAbstractItemView::ScrollPerPixel); view->setHorizontalScrollBarPolicy(Qt::ScrollBarAlwaysOff); view->verticalHeader()->hide(); view->setModel(&proxyModel); view->setSortingEnabled(true); view->sortByColumn(0, Qt::AscendingOrder); view->horizontalHeader()->setSectionResizeMode(QHeaderView::Stretch); dialog.layout()->addWidget(view); view->resizeColumnsToContents(); view->resizeRowsToContents(); view->setMinimumWidth(view->horizontalHeader()->length() + view->verticalScrollBar()->sizeHint().width()); // Connect search box to filter QObject::connect(searchBox, &QLineEdit::textChanged, &proxyModel, &QSortFilterProxyModel::setFilterFixedString); // Apply the pre-populated filter proxyModel.setFilterFixedString(searchBox->text()); if (proxyModel.rowCount() > 0) view->selectRow(0); connect(view, SIGNAL(activated(QModelIndex)), &dialog, SLOT(accept())); auto* buttons = new QDialogButtonBox(QDialogButtonBox::Ok | QDialogButtonBox::Cancel); connect(buttons, SIGNAL(accepted()), &dialog, SLOT(accept())); connect(buttons, SIGNAL(rejected()), &dialog, SLOT(reject())); dialog.layout()->addWidget(buttons); if (dialog.exec() != QDialog::Accepted) return 0; // Map the proxy index back to the source model to get the hall number QModelIndex proxyIndex = view->currentIndex(); QModelIndex sourceIndex = proxyModel.mapToSource(proxyIndex); return sourceIndex.row() + 1; } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spacegroup/spacegroup.h000066400000000000000000000053471516317240700300240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SPACEGROUP_H #define AVOGADRO_QTPLUGINS_SPACEGROUP_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Space group features for crystals. */ class SpaceGroup : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit SpaceGroup(QObject* parent_ = nullptr); ~SpaceGroup() override; QString name() const override { return tr("SpaceGroup"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void perceiveSpaceGroup(); void reduceToPrimitive(); void conventionalizeCell(); void symmetrize(); void fillUnitCell(); void fillTranslationalCell(); void reduceToAsymmetricUnit(); void setTolerance(); private: // Pop up a dialog box and ask the user to select a space group. // Returns the hall number for the selected space group. // Returns 0 if the user canceled. unsigned short selectSpaceGroup(); // Check if the cell appears to be primitive but the space group expects // a centered cell. Warns the user and optionally conventionalizes. // Returns true if we should proceed with filling, false if user canceled. bool checkPrimitiveCell(unsigned short hallNumber); QList m_actions; QtGui::Molecule* m_molecule; double m_spgTol; QAction* m_perceiveSpaceGroupAction; QAction* m_reduceToPrimitiveAction; QAction* m_conventionalizeCellAction; QAction* m_symmetrizeAction; QAction* m_fillUnitCellAction; QAction* m_fillTranslationalCellAction; QAction* m_reduceToAsymmetricUnitAction; QAction* m_setToleranceAction; bool m_blockFillHeuristic = false; const QString crystalSystem(unsigned short hallNumber); const QString toleranceToString(); const QString symbolToString(unsigned short hallNumber, bool replaceOverlines = false); const QString hallSymbolToString(unsigned short hallNumber); void fillHeuristic(); }; inline QString SpaceGroup::description() const { return tr("Space group features for crystals."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SPACEGROUP_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/000077500000000000000000000000001516317240700247635ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/CMakeLists.txt000066400000000000000000000003661516317240700275300ustar00rootroot00000000000000set(plugin_srcs spectradialog.cpp spectra.cpp ) avogadro_plugin(Spectra "Spectra Plots" ExtensionPlugin spectra.h Spectra "${plugin_srcs}" "spectradialog.ui" ) # target_link_libraries(Spectra PRIVATE JKQtPlotter6::JKQtPlotter6) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/spectra.cpp000066400000000000000000000076771516317240700271510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spectra.h" #include "spectradialog.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { Spectra::Spectra(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_dialog(nullptr) { auto* action = new QAction(this); action->setEnabled(false); action->setText(tr("Plot Spectra…")); action->setProperty("menu priority", -900); connect(action, SIGNAL(triggered()), SLOT(openDialog())); m_actions.push_back(action); } QList Spectra::actions() const { return m_actions; } QStringList Spectra::menuPath(QAction*) const { QStringList path; path << tr("&Analyze"); return path; } void Spectra::setMolecule(QtGui::Molecule* mol) { if (m_molecule != nullptr) m_molecule->disconnect(this); // extract vibrational and other spectra m_molecule = mol; if (m_molecule == nullptr) { return; } bool enableAction = false; // check to see if it has IR or Raman data if (!m_molecule->vibrationFrequencies().empty()) enableAction = true; // check if there are other spectra if (!m_molecule->spectraTypes().empty()) enableAction = true; foreach (auto action, m_actions) action->setEnabled(enableAction); connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(moleculeChanged(unsigned int))); if (enableAction && m_dialog != nullptr) { gatherSpectra(); } } void Spectra::moleculeChanged(unsigned int changes) { if (m_molecule == nullptr) return; bool enableAction = false; // check to see if it has IR or Raman data if (!m_molecule->vibrationFrequencies().empty()) enableAction = true; // check if there are other spectra if (!m_molecule->spectraTypes().empty()) enableAction = true; foreach (auto action, m_actions) action->setEnabled(enableAction); if (enableAction && m_dialog != nullptr) { gatherSpectra(); } } void Spectra::openDialog() { if (m_molecule == nullptr) return; if (m_dialog == nullptr) { m_dialog = new SpectraDialog(qobject_cast(this->parent())); } gatherSpectra(); // update the elements auto elements = m_molecule->atomicNumbers(); std::vector atomicNumbers(elements.begin(), elements.end()); m_dialog->setElements(atomicNumbers); m_dialog->show(); m_dialog->raise(); m_dialog->activateWindow(); } void Spectra::gatherSpectra() { if (m_molecule == nullptr || m_dialog == nullptr) return; std::map spectra; // copy any spectra from the molecule for (const auto& type : m_molecule->spectraTypes()) { spectra[type] = m_molecule->spectra(type); } // check to see if it has IR or Raman data if (!m_molecule->vibrationFrequencies().empty()) { const unsigned int n = m_molecule->vibrationFrequencies().size(); MatrixX ir(n, 2); // check max intensity for (unsigned int i = 0; i < n; ++i) { ir(i, 0) = m_molecule->vibrationFrequencies()[i]; ir(i, 1) = m_molecule->vibrationIRIntensities()[i]; } spectra["IR"] = ir; if (m_molecule->vibrationRamanIntensities().size() == m_molecule->vibrationFrequencies().size()) { MatrixX raman(n, 2); for (unsigned int i = 0; i < n; ++i) { raman(i, 0) = m_molecule->vibrationFrequencies()[i]; raman(i, 1) = m_molecule->vibrationRamanIntensities()[i]; } spectra["Raman"] = raman; } } m_dialog->setSpectra(spectra); } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/spectra.h000066400000000000000000000024421516317240700265770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SPECTRA_H #define AVOGADRO_QTPLUGINS_SPECTRA_H #include class QAction; class QDialog; namespace Avogadro { namespace QtPlugins { class SpectraDialog; /** * @brief The Spectra plugin handles vibrations and spectra. */ class Spectra : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Spectra(QObject* parent = nullptr); ~Spectra() override = default; QString name() const override { return tr("Spectra"); } QString description() const override { return tr("Display spectra plots."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: void openDialog(); void moleculeChanged(unsigned int changes); private: void gatherSpectra(); QList m_actions; QtGui::Molecule* m_molecule; SpectraDialog* m_dialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_Spectra_H OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/spectradialog.cpp000066400000000000000000001177251516317240700303250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spectradialog.h" #include "ui_spectradialog.h" #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Molecule; using Avogadro::QtGui::ChartWidget; namespace Avogadro::QtPlugins { // Detect dark mode: text lighter than window background static bool isDarkMode() { const QPalette p; return p.color(QPalette::WindowText).lightness() > p.color(QPalette::Window).lightness(); } // Default colors that adapt to dark/light mode static QColor defaultBackgroundColor() { return isDarkMode() ? QColor(0, 0, 0) : QColor(255, 255, 255); } static QColor defaultForegroundColor() { return isDarkMode() ? QColor(255, 255, 255) : QColor(0, 0, 0); } static QColor defaultCalculatedColor() { return isDarkMode() ? QColor(255, 255, 255) : QColor(0, 0, 0); } constexpr QColor red(255, 0, 0); constexpr QColor blue(0, 0, 255); float scaleAndBlur(float x, float peak, float intensity, float scale = 1.0, float shift = 0.0, float fwhm = 0.0) { // return the intensity at point x, from a Gaussian centered at peak // with a width of fwhm, scaled by scale and shifted by shift float fwhm_to_sigma = 2.0 * sqrt(2.0 * log(2.0)); float sigma = fwhm / fwhm_to_sigma; // x is the absolute position, but we need to scale the peak position float scaled_peak = (peak - shift) / scale; float delta = x - scaled_peak; float exponent = -(delta * delta) / (2 * sigma * sigma); float gaussian = exp(exponent); return intensity * gaussian; } float closestTo(float x, float peak, float intensity, float scale = 1.0, float shift = 0.0, float xScale = 1.0) { // return peak intensity if x is closer to the peak than another point // scaled by scale and shifted by shift float scaled_peak = (peak - shift) / scale; float delta = x - scaled_peak; // xScale is the reciprocal of the space between points // (i.e., used to generate many points in the loop) float peak_to_peak = 1.0 / xScale; return (fabs(delta) < peak_to_peak / 2.0) ? intensity : 0.0; } /** * Grab the first column of a matrix for std::vector conversion * @param matrix The matrix to convert * @return The first column of the matrix */ std::vector fromMatrix(const MatrixX& matrix) { std::vector result; for (auto i = 0; i < matrix.rows(); ++i) result.push_back(matrix(i, 0)); return result; } /** * Interpolate data points at targetX (e.g., computed spectra) * from sourceX and sourceY. * * This function will linearly interpolate data points from sourceX and sourceY * and return the corresponding interpolated values at targetX. * * @param expData The experimental data points, corresponding to sourceX and * sourceY. * @param targetX The independent variable data points where the interpolation * should be performed. * * @return A vector of interpolated values, corresponding to targetX. */ std::vector interpolateData(const MatrixX& expData, const std::vector& targetX) { std::vector result(targetX.size(), 0.0f); if (expData.rows() == 0 || expData.cols() < 2) return result; for (size_t i = 0; i < targetX.size(); ++i) { float x = targetX[i]; // Handle out-of-range cases if (x <= expData(0, 0)) { result[i] = expData(0, 1); continue; } if (x >= expData(expData.rows() - 1, 0)) { result[i] = expData(expData.rows() - 1, 1); continue; } // Binary search for bracketing points int lower = 0; int upper = expData.rows() - 1; while (upper - lower > 1) { int mid = (lower + upper) / 2; if (expData(mid, 0) < x) lower = mid; else upper = mid; } // Linear interpolation double x1 = expData(lower, 0); double x2 = expData(upper, 0); double y1 = expData(lower, 1); double y2 = expData(upper, 1); result[i] = y1 + (y2 - y1) * (x - x1) / (x2 - x1); } return result; } SpectraDialog::SpectraDialog(QWidget* parent) : QDialog(parent), m_ui(new Ui::SpectraDialog) { m_ui->setupUi(this); // hide the units for now m_ui->unitsLabel->hide(); m_ui->unitsCombo->hide(); // only for NMR m_ui->elementCombo->hide(); m_ui->dataTable->horizontalHeader()->setSectionResizeMode( QHeaderView::Stretch); // Hide advanced options initially m_ui->tab_widget->hide(); m_ui->dataTable->hide(); m_ui->push_exportData->hide(); readSettings(); // connections for options connect(m_ui->push_options, SIGNAL(clicked()), this, SLOT(toggleOptions())); connect(m_ui->push_export, SIGNAL(clicked()), this, SLOT(exportData())); connect(m_ui->push_exportData, SIGNAL(clicked()), this, SLOT(exportData())); connect(m_ui->push_import, SIGNAL(clicked()), this, SLOT(importData())); connect(m_ui->cb_raw, SIGNAL(toggled(bool)), this, SLOT(updatePlot())); connect(m_ui->cb_import, SIGNAL(toggled(bool)), this, SLOT(updatePlot())); connect(m_ui->push_colorBackground, SIGNAL(clicked()), this, SLOT(changeBackgroundColor())); connect(m_ui->push_colorForeground, SIGNAL(clicked()), this, SLOT(changeForegroundColor())); connect(m_ui->push_colorCalculated, SIGNAL(clicked()), this, SLOT(changeCalculatedSpectraColor())); connect(m_ui->push_colorRaw, SIGNAL(clicked()), this, SLOT(changeRawSpectraColor())); connect(m_ui->push_colorImported, SIGNAL(clicked()), this, SLOT(changeImportedSpectraColor())); connect(m_ui->fontSizeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(changeFontSize())); connect(m_ui->lineWidthSpinBox, SIGNAL(valueChanged(double)), this, SLOT(changeLineWidth())); connectOptions(); } SpectraDialog::~SpectraDialog() { writeSettings(); } void SpectraDialog::connectOptions() { // connect (or reconnect) anything that calls change or update plot connect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); connect(m_ui->xAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->xAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->yAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->yAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->peakWidth, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->scaleSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->offsetSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->peakThreshold, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); } void SpectraDialog::disconnectOptions() { // disconnect anything that calls change or update plot disconnect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); disconnect(m_ui->xAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->xAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->yAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->yAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->peakWidth, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->scaleSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->offsetSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->peakThreshold, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); } void SpectraDialog::changeEvent(QEvent* event) { if (event->type() == QEvent::PaletteChange) updatePlot(); QDialog::changeEvent(event); } void SpectraDialog::mouseDoubleClickEvent(QMouseEvent* e) { auto* chart = chartWidget(); if (chart) chart->resetZoom(); } void SpectraDialog::updateElementCombo() { // update the element combo box disconnect(m_ui->elementCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); m_ui->elementCombo->clear(); // go through the elements in atomic number order // make a copy of the vector std::vector elements = m_elements; std::sort(elements.begin(), elements.end()); // add the unique elements, with the element number as the data for (auto& element : elements) { // check to see if it's already in the combo box bool found = false; for (int i = 0; i < m_ui->elementCombo->count(); ++i) { if (m_ui->elementCombo->itemData(i).toInt() == element) { found = true; break; } } if (found) continue; switch (element) { case 1: m_ui->elementCombo->addItem("¹H", element); break; case 3: m_ui->elementCombo->addItem("⁷Li", element); break; case 5: m_ui->elementCombo->addItem("¹¹B", element); break; case 6: m_ui->elementCombo->addItem("¹³C", element); break; case 7: m_ui->elementCombo->addItem("¹⁵N", element); break; case 8: m_ui->elementCombo->addItem("¹⁷O", element); break; case 9: m_ui->elementCombo->addItem("¹⁹F", element); break; case 14: m_ui->elementCombo->addItem("²⁹Si", element); break; case 15: m_ui->elementCombo->addItem("³¹P", element); break; default: m_ui->elementCombo->addItem(QString::number(element), element); break; } } // connect the element combo box connect(m_ui->elementCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); changeSpectra(); // default to 1H } void SpectraDialog::changeSpectra() { // based on the current spectra type, update the options // and prep the spectra for plotting QSettings settings; disconnectOptions(); // what type of spectra are we plotting? SpectraType type = static_cast(m_ui->combo_spectra->currentData().toInt()); // only show for NMR m_ui->elementCombo->hide(); // todo: some spectra might want to swtich units m_transitions.clear(); m_intensities.clear(); switch (type) { case SpectraType::Infrared: m_transitions = fromMatrix(m_spectra["IR"].col(0)); m_intensities = fromMatrix(m_spectra["IR"].col(1)); settings.beginGroup("spectra/ir"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", 4000.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 400.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 30.0).toDouble()); settings.endGroup(); break; case SpectraType::Raman: m_transitions = fromMatrix(m_spectra["Raman"].col(0)); m_intensities = fromMatrix(m_spectra["Raman"].col(1)); settings.beginGroup("spectra/raman"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", 0.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 4000.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 30.0).toDouble()); settings.endGroup(); break; case SpectraType::VibrationalCD: m_transitions = fromMatrix(m_spectra["VibrationalCD"].col(0)); m_intensities = fromMatrix(m_spectra["VibrationalCD"].col(1)); settings.beginGroup("spectra/vcd"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", 0.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 4000.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 30.0).toDouble()); settings.endGroup(); break; case SpectraType::MagneticCD: m_transitions = fromMatrix(m_spectra["MagneticCD"].col(0)); m_intensities = fromMatrix(m_spectra["MagneticCD"].col(1)); settings.beginGroup("spectra/mcd"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setMaximum(30000.0); m_ui->xAxisMinimum->setValue(settings.value("xmin", 10000.0).toDouble()); m_ui->xAxisMaximum->setMaximum( std::max(settings.value("xmax", 75000.0).toDouble(), 75000.0)); m_ui->xAxisMaximum->setValue(settings.value("xmax", 75000.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 100.0).toDouble()); settings.endGroup(); break; case SpectraType::NMR: // settings handled per-element below m_ui->elementCombo->show(); break; case SpectraType::Electronic: m_transitions = fromMatrix(m_spectra["Electronic"].col(0)); m_intensities = fromMatrix(m_spectra["Electronic"].col(1)); settings.beginGroup("spectra/electronic"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); // in eV m_ui->xAxisMinimum->setValue(settings.value("xmin", 5.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 1.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); settings.endGroup(); break; case SpectraType::CircularDichroism: m_transitions = fromMatrix(m_spectra["Electronic"].col(0)); // check if electronic has a third column if (m_spectra["Electronic"].cols() > 2) m_intensities = fromMatrix(m_spectra["Electronic"].col(2)); else // grab it from the CD data m_intensities = fromMatrix(m_spectra["CircularDichroism"].col(1)); settings.beginGroup("spectra/cd"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); // default to eV units m_ui->xAxisMinimum->setValue(settings.value("xmin", 5.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 1.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); settings.endGroup(); break; case SpectraType::DensityOfStates: m_transitions = fromMatrix(m_spectra["DensityOfStates"].col(0)); m_intensities = fromMatrix(m_spectra["DensityOfStates"].col(1)); settings.beginGroup("spectra/dos"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", -50.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 50.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); settings.endGroup(); break; } // a bunch of special work depending on the NMR element if (type == SpectraType::NMR) { // get the element int element = m_ui->elementCombo->currentData().toInt(); settings.beginGroup(QString("spectra/nmr/%1").arg(element)); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); // tweak the default axis range // based on https://imserc.northwestern.edu/guide/eNMR/chem/NMRnuclei.html // offsets are approximate from a few calculations // .. to at least provide a starting point switch (element) { case 1: // 1H m_ui->xAxisMinimum->setValue(settings.value("xmin", 12.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 0.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 31.876).toDouble()); break; case 3: // 7Li m_ui->xAxisMinimum->setValue(settings.value("xmin", -16.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 11.0).toDouble()); // TODO: offset m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); break; case 5: // 11B m_ui->xAxisMinimum->setValue(settings.value("xmin", 100.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -120.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 109.774).toDouble()); break; case 6: // 13C m_ui->xAxisMinimum->setValue(settings.value("xmin", 200.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 0.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 192.038).toDouble()); break; case 7: // 15N m_ui->xAxisMinimum->setValue(settings.value("xmin", 800.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 0.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", -106.738).toDouble()); break; case 8: // 17O m_ui->xAxisMinimum->setValue(settings.value("xmin", 1600.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -50.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 347.782).toDouble()); break; case 9: // 19F m_ui->xAxisMinimum->setValue(settings.value("xmin", 60.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -300.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 206.735).toDouble()); break; case 14: // 29Si m_ui->xAxisMinimum->setValue(settings.value("xmin", 50.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -200.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 400.876).toDouble()); break; case 15: // 31P m_ui->xAxisMinimum->setValue(settings.value("xmin", 250.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -250.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 392.841).toDouble()); break; default: m_ui->xAxisMinimum->setValue(settings.value("xmax", 100.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -100.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); break; } settings.endGroup(); // the default NMR data has all the atoms in it, // so we need to loop through m_elements to filter MatrixX nmr = m_spectra["NMR"]; for (int i = 0; i < m_elements.size(); ++i) { if (m_elements[i] == element) { m_transitions.push_back(nmr(i, 0)); } } // fill the intensities with 1.0 m_intensities.resize(m_transitions.size(), 1.0); } // other spectra transitions and intensities are already set // update the data table double maxIntensity = 0.0; m_ui->dataTable->setRowCount(m_transitions.size()); m_ui->dataTable->setColumnCount(2); for (auto i = 0; i < m_transitions.size(); ++i) { // frequency or energy QTableWidgetItem* item = new QTableWidgetItem(QString::number(m_transitions[i], 'f', 4)); m_ui->dataTable->setItem(i, 0, item); // intensities item = new QTableWidgetItem(QString::number(m_intensities[i], 'f', 4)); m_ui->dataTable->setItem(i, 1, item); if (m_intensities[i] > maxIntensity) maxIntensity = m_intensities[i]; } // update the spin boxes m_ui->yAxisMaximum->setValue(maxIntensity); m_ui->yAxisMinimum->setMinimum(0.0); // if CD, set the minimum too if (type == SpectraType::CircularDichroism || type == SpectraType::VibrationalCD || type == SpectraType::MagneticCD) { m_ui->yAxisMinimum->setMinimum(-maxIntensity * 2.0); m_ui->yAxisMinimum->setValue(-maxIntensity); } if (type == SpectraType::Infrared) { m_ui->yAxisMaximum->setValue(102.0); // transmission } updatePlot(); connectOptions(); } void SpectraDialog::setSpectra(const std::map& spectra) { m_spectra = spectra; // update the combo box disconnect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); m_ui->combo_spectra->clear(); for (auto& spectra : m_spectra) { QString name = QString::fromStdString(spectra.first); #ifndef NDEBUG qDebug() << " reading spectra " << name; #endif if (name == "IR") { name = tr("Infrared"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::Infrared)); } else if (name == "Raman") { name = tr("Raman"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::Raman)); } else if (name == "VibrationalCD") { name = tr("Vibrational CD", "vibrational circular dichroism"); m_ui->combo_spectra->addItem( name, static_cast(SpectraType::VibrationalCD)); } else if (name == "MagneticCD") { name = tr("Magnetic CD", "magnetic circular dichroism"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::MagneticCD)); } else if (name == "NMR") { name = tr("NMR"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::NMR)); } else if (name == "Electronic") { name = tr("Electronic"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::Electronic)); } else if (name == "CircularDichroism") { name = tr("Circular Dichroism"); m_ui->combo_spectra->addItem( name, static_cast(SpectraType::CircularDichroism)); } else if (name == "DensityOfStates") { name = tr("Density of States"); m_ui->combo_spectra->addItem( name, static_cast(SpectraType::DensityOfStates)); } } changeSpectra(); // connect again connect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); } void SpectraDialog::writeSettings() const { QSettings settings; settings.setValue("spectra/currentSpectra", m_ui->combo_spectra->currentIndex()); } void SpectraDialog::readSettings() { QSettings settings; settings.beginGroup("spectra"); // update the dialog with saved settings // font size int fontSize = settings.value("fontSize", 12).toInt(); m_ui->fontSizeCombo->setCurrentText(QString::number(fontSize)); // line width float lineWidth = settings.value("lineWidth", 1.0).toFloat(); m_ui->lineWidthSpinBox->setValue(lineWidth); // TODO: other bits settings.endGroup(); } void SpectraDialog::changeBackgroundColor() { QSettings settings; QColor current = settings.value("spectra/backgroundColor", defaultBackgroundColor()) .value(); QColor color = QColorDialog::getColor(current, this, tr("Select Background Color"), QColorDialog::ShowAlphaChannel); if (color.isValid() && color != current) { settings.setValue("spectra/backgroundColor", color); auto* chart = chartWidget(); if (chart != nullptr) { QtGui::color4ub ubColor = { static_cast(color.red()), static_cast(color.green()), static_cast(color.blue()), static_cast(color.alpha()) }; chart->setBackgroundColor(ubColor); } updatePlot(); } } void SpectraDialog::exportData() {} void SpectraDialog::changeForegroundColor() { QSettings settings; QColor current = settings.value("spectra/foregroundColor", defaultForegroundColor()) .value(); QColor color = QColorDialog::getColor(current, this, tr("Select Foreground Color")); if (color.isValid() && color != current) { settings.setValue("spectra/foregroundColor", color); updatePlot(); } } void SpectraDialog::changeCalculatedSpectraColor() { QSettings settings; QColor current = settings.value("spectra/calculatedColor", defaultCalculatedColor()) .value(); QColor color = QColorDialog::getColor(current, this, tr("Select Calculated Spectra Color")); if (color.isValid() && color != current) { settings.setValue("spectra/calculatedColor", color); updatePlot(); } } void SpectraDialog::changeRawSpectraColor() { QSettings settings; QColor current = settings.value("spectra/rawColor", red).value(); QColor color = QColorDialog::getColor(current, this, tr("Select Raw Spectra Color")); if (color.isValid() && color != current) { settings.setValue("spectra/rawColor", color); updatePlot(); } } void SpectraDialog::changeImportedSpectraColor() { QSettings settings; QColor current = settings.value("spectra/importedColor", blue).value(); QColor color = QColorDialog::getColor(current, this, tr("Select Imported Spectra Color")); if (color.isValid() && color != current) { settings.setValue("spectra/importedColor", color); updatePlot(); } } void SpectraDialog::changeFontSize() { int size = m_ui->fontSizeCombo->currentText().toInt(); QSettings settings; settings.setValue("spectra/fontSize", size); updatePlot(); } void SpectraDialog::changeLineWidth() { float width = m_ui->lineWidthSpinBox->value(); QSettings settings; settings.setValue("spectra/lineWidth", width); updatePlot(); } /////////////////////// // Plot Manipulation // /////////////////////// void SpectraDialog::updatePlot() { // disconnect the options while we update the plot disconnectOptions(); // the raw data std::vector transitions, intensities; // for the plot std::vector xData, yData, yStick, importedData; // determine the type to plot SpectraType type = static_cast(m_ui->combo_spectra->currentData().toInt()); QSettings settings; QString windowName; QString xTitle; QString yTitle; // TODO: switch units for electronic and CD QString xWave = tr("Wavelength (nm)"); QString xFreq = tr("Frequency (Hz)"); bool transmission = false; // get the raw data from the spectra map switch (type) { case SpectraType::Infrared: windowName = tr("Vibrational Spectra"); xTitle = tr("Wavenumbers (cm⁻¹)"); yTitle = tr("Transmission"); transmission = true; settings.beginGroup("spectra/ir"); settings.setValue("xmin", float(m_ui->xAxisMinimum->value())); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", float(m_ui->peakWidth->value())); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::Raman: windowName = tr("Raman Spectra"); xTitle = tr("Wavenumbers (cm⁻¹)"); yTitle = tr("Intensity"); // save the plot settings settings.beginGroup("spectra/raman"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::VibrationalCD: windowName = tr("Vibrational Circular Dichroism"); xTitle = tr("Wavenumbers (cm⁻¹)"); yTitle = tr("Intensity"); // save the plot settings settings.beginGroup("spectra/vcd"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::MagneticCD: windowName = tr("Magnetic Circular Dichroism"); xTitle = tr("Wavenumbers (cm⁻¹)"); yTitle = tr("Intensity"); // save the plot settings settings.beginGroup("spectra/mcd"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::NMR: windowName = tr("NMR Spectra"); xTitle = tr("Chemical Shift (ppm)"); yTitle = tr("Intensity"); // save the plot settings on a per element basis settings.beginGroup(QString("spectra/nmr/%1") .arg(m_ui->elementCombo->currentData().toInt())); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::Electronic: windowName = tr("Electronic Spectra"); xTitle = tr("Energy (eV)"); yTitle = tr("Intensity"); // save settings settings.beginGroup("spectra/electronic"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::CircularDichroism: windowName = tr("Circular Dichroism Spectra"); xTitle = tr("Energy (eV)"); yTitle = tr("Intensity"); // save settings settings.beginGroup("spectra/cd"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::DensityOfStates: windowName = tr("Density of States"); xTitle = tr("Energy (eV)"); yTitle = tr("Density"); // save settings settings.beginGroup("spectra/dos"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; } setWindowTitle(windowName); double maxIntensity = 0.0f; for (auto intensity : m_intensities) { if (intensity > maxIntensity) maxIntensity = intensity; } // if transmission for IR, set the max intensity to 100 if (type == SpectraType::Infrared) maxIntensity = 100.0; if (maxIntensity < 1.0) maxIntensity = 1.0; // now compose the plot data float scale = m_ui->scaleSpinBox->value(); float offset = m_ui->offsetSpinBox->value(); // NMR offsets should be inverted if (type == SpectraType::NMR) { scale = -scale; } float fwhm = m_ui->peakWidth->value(); float xMin = m_ui->xAxisMinimum->value(); float xMax = m_ui->xAxisMaximum->value(); float start = std::min(xMin, xMax); float end = std::max(xMin, xMax); // for some spectra, we need to take small steps, so we scale the x axis float xScale = 1.0; if (type == SpectraType::Electronic || type == SpectraType::CircularDichroism) xScale = 1.0f / 0.01f; else if (type == SpectraType::NMR) xScale = 1.0f / 0.01f; // TODO: process an experimental spectrum via interpolation for (unsigned int x = round(start * xScale); x < round(end * xScale); ++x) { float xValue = static_cast(x) / xScale; xData.push_back(xValue); yData.push_back(0.0f); yStick.push_back(0.0f); // now we add up the intensity from any frequency for (auto index = 0; index < m_transitions.size(); ++index) { float freq = m_transitions[index]; float peak = m_intensities[index]; float intensity = scaleAndBlur(xValue, freq, peak, scale, offset, fwhm); float stick = closestTo(xValue, freq, peak, scale, offset, xScale); yData.back() += intensity; yStick.back() += stick; } // if transmission, we need to invert the intensity if (transmission) { float trans = 1.0f - (yData.back() / (maxIntensity * 1.25)); yData.back() = trans * 100.0; // percent trans = 1.0f - (yStick.back() / maxIntensity); yStick.back() = trans * 100.0; // percent } } // Interpolate imported data if available if (m_importedSpectra.rows() > 0) { importedData = interpolateData(m_importedSpectra, xData); } auto* chart = chartWidget(); chart->clearPlots(); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); unsigned int fontSize = m_ui->fontSizeCombo->currentText().toInt(); chart->setFontSize(fontSize); float lineWidth = m_ui->lineWidthSpinBox->value(); chart->setLineWidth(lineWidth); // background color QColor backgroundColor = settings.value("spectra/backgroundColor", defaultBackgroundColor()) .value(); QtGui::color4ub ubColor = { static_cast(backgroundColor.red()), static_cast(backgroundColor.green()), static_cast(backgroundColor.blue()), static_cast(backgroundColor.alpha()) }; chart->setBackgroundColor(ubColor); // axis color QColor axisColor = settings.value("spectra/foregroundColor", defaultForegroundColor()) .value(); QtGui::color4ub axisColor4ub = { static_cast(axisColor.red()), static_cast(axisColor.green()), static_cast(axisColor.blue()), static_cast(axisColor.alpha()) }; chart->setAxisColor(QtGui::ChartWidget::Axis::x, axisColor4ub); chart->setAxisColor(QtGui::ChartWidget::Axis::y, axisColor4ub); // get the spectra color QColor spectraColor = settings.value("spectra/calculatedColor", defaultCalculatedColor()) .value(); QtGui::color4ub calculatedColor = { static_cast(spectraColor.red()), static_cast(spectraColor.green()), static_cast(spectraColor.blue()), static_cast(spectraColor.alpha()) }; chart->addPlot(xData, yData, calculatedColor, xTitle, tr("Smoothed")); // todo add hide/show raw data series QColor rawColor = settings.value("spectra/rawColor", red).value(); QtGui::color4ub rawColor4ub = { static_cast(rawColor.red()), static_cast(rawColor.green()), static_cast(rawColor.blue()), static_cast( rawColor.alpha()) }; if (m_ui->cb_raw->isChecked()) chart->addSeries(yStick, rawColor4ub, tr("Raw")); QColor importedColor = settings.value("spectra/importedColor", blue).value(); QtGui::color4ub importedColor4ub = { static_cast(importedColor.red()), static_cast(importedColor.green()), static_cast(importedColor.blue()), static_cast(importedColor.alpha()) }; if (m_ui->cb_import->isChecked() && !importedData.empty()) chart->addSeries(importedData, importedColor4ub, tr("Imported")); // axis limits float xAxisMin = m_ui->xAxisMinimum->value(); float xAxisMax = m_ui->xAxisMaximum->value(); float yAxisMin = m_ui->yAxisMinimum->value(); float yAxisMax = m_ui->yAxisMaximum->value(); chart->setXAxisLimits(xAxisMin, xAxisMax); if (type == SpectraType::MagneticCD) chart->setYAxisLimits(-1.0e-4, 1.0e-4); else chart->setYAxisLimits(yAxisMin, yAxisMax); chart->setAxisDigits(QtGui::ChartWidget::Axis::x, 4); // set the location if needed if (type == SpectraType::Infrared) { chart->setLegendLocation(QtGui::ChartWidget::LegendLocation::BottomRight); } // re-enable the options connectOptions(); raise(); activateWindow(); } QtGui::ChartWidget* SpectraDialog::chartWidget() { return m_ui->plot; } void SpectraDialog::importData() { // get the filename to import QString filename = QFileDialog::getOpenFileName( this, tr("Import Data"), "", tr("CSV Files (*.csv);;TSV Files (*.tsv)")); QFile file(filename); if (!file.open(QIODevice::ReadOnly | QIODevice::Text)) return; std::vector> tempData; QTextStream in(&file); // figure out if this is CSV or TSV data QString delimiter = filename.endsWith(".tsv") ? "\t" : ","; // Skip header if present (detect by checking if first line contains numbers) QString firstLine = in.readLine(); // Try to parse first line as numbers; if it fails, assume header QStringList testParts = firstLine.split(delimiter); bool hasHeader = false; if (testParts.size() >= 2) { bool ok1, ok2; testParts[0].trimmed().toDouble(&ok1); testParts[1].trimmed().toDouble(&ok2); hasHeader = !(ok1 && ok2); } if (hasHeader && !in.atEnd()) // skip the header firstLine = in.readLine(); while (!in.atEnd() && !firstLine.isEmpty()) { QStringList parts = firstLine.split(delimiter); if (parts.size() >= 2) { bool ok1, ok2; double x = parts[0].trimmed().toDouble(&ok1); double y = parts[1].trimmed().toDouble(&ok2); if (ok1 && ok2) { tempData.push_back({ x, y }); } } firstLine = in.readLine(); } file.close(); if (tempData.empty()) return; // Sort by x-axis (energy/wavelength) std::sort(tempData.begin(), tempData.end(), [](const auto& a, const auto& b) { return a.first < b.first; }); // Convert to Eigen::MatrixXd (matching computed spectra format) m_importedSpectra.resize(tempData.size(), 2); for (size_t i = 0; i < tempData.size(); ++i) { m_importedSpectra(i, 0) = tempData[i].first; // energy/wavelength m_importedSpectra(i, 1) = tempData[i].second; // intensity } // enable the imported data series m_ui->cb_import->setEnabled(true); m_ui->cb_import->setChecked(true); return; } void SpectraDialog::toggleOptions() { if (m_ui->tab_widget->isHidden()) { m_ui->tab_widget->show(); // todo: show the data table // m_ui->dataTable->show(); // m_ui->push_exportData->show(); QSize s = size(); s.setWidth(s.width() + m_ui->dataTable->size().width()); s.setHeight(s.height() + m_ui->tab_widget->size().height()); QRect rect = QGuiApplication::primaryScreen()->geometry(); if (s.width() > rect.width() || s.height() > rect.height()) s = rect.size() * 0.9; resize(s); move(rect.width() / 2 - s.width() / 2, rect.height() / 2 - s.height() / 2); } else { QSize s = size(); s.setWidth(s.width() - m_ui->dataTable->size().width()); s.setHeight(s.height() - m_ui->tab_widget->size().height()); resize(s); m_ui->tab_widget->hide(); m_ui->dataTable->hide(); m_ui->push_exportData->hide(); QRect rect = QGuiApplication::primaryScreen()->geometry(); move(rect.width() / 2 - s.width() / 2, rect.height() / 2 - s.height() / 2); } } } // namespace Avogadro::QtPlugins OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/spectradialog.h000066400000000000000000000042031516317240700277540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SPECTRADIALOG_H #define AVOGADRO_QTPLUGINS_SPECTRADIALOG_H #include #include #include namespace Ui { class SpectraDialog; } namespace Avogadro { namespace QtGui { class ChartWidget; } namespace QtPlugins { enum class SpectraType { Infrared, Raman, NMR, Electronic, CircularDichroism, VibrationalCD, MagneticCD, DensityOfStates }; class SpectraDialog : public QDialog { Q_OBJECT public: explicit SpectraDialog(QWidget* parent = nullptr); ~SpectraDialog() override; void writeSettings() const; void readSettings(); void setSpectra(const std::map& spectra); void setElements(const std::vector& elements) { m_elements = elements; updateElementCombo(); } QtGui::ChartWidget* chartWidget(); void disconnectOptions(); void connectOptions(); void changeEvent(QEvent* event) override; void mouseDoubleClickEvent(QMouseEvent* e) override; private slots: void changeBackgroundColor(); void changeForegroundColor(); void changeCalculatedSpectraColor(); void changeRawSpectraColor(); void changeImportedSpectraColor(); void changeFontSize(); void changeLineWidth(); void changeSpectra(); void importData(); void exportData(); void updateElementCombo(); void updatePlot(); void toggleOptions(); private: std::map m_spectra; MatrixX m_importedSpectra; std::vector m_elements; // for NMR // current spectra data std::vector m_transitions; std::vector m_intensities; // imported spectra (if available) std::vector m_importedTransitions; std::vector m_importedIntensities; QString m_currentSpectraType; Ui::SpectraDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/spectra/spectradialog.ui000066400000000000000000000515221516317240700301500ustar00rootroot00000000000000 SpectraDialog 0 0 808 480 808 480 Spectra Visualization true 0 0 1 Spectra Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter -4000.000000000000000 4000.000000000000000 Scale Factor: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 4000.000000000000000 X-Axis Minimum: X-Axis Maximum: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 3 Offset: Y-Axis Maximum: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 4000.000000000000000 Y-Axis Minimum: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 4000.000000000000000 Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 4 0.100000000000000 1.000000000000000 Peak Width: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 0.010000000000000 false Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter Peak Threshold: Units: false &Appearance 0 0 Set Color… 0 0 Axis: Imported Spectra: true 10 12 14 16 18 Font Size: Line Width: false Show true 0 0 Imports a tsv of experimental spectra to overlay on the plot. &Import… 0 0 Background: 0 0 Calculated Spectra: Qt::AlignmentFlag::AlignRight|Qt::AlignmentFlag::AlignTrailing|Qt::AlignmentFlag::AlignVCenter 1 1.000000000000000 10.000000000000000 0.500000000000000 true 0 0 Set Color… 0 0 Set Color… 0 0 Set Color… Raw Spectra: 0 0 Set Color… true 0 0 Show true false 0 0 &Export… 0 0 Export Data 0 0 &Close 0 0 &Options… 0 0 160 0 Qt::ScrollBarPolicy::ScrollBarAlwaysOff QAbstractItemView::EditTrigger::NoEditTriggers true QAbstractItemView::SelectionMode::SingleSelection QAbstractItemView::SelectionBehavior::SelectRows true true false false true x y 0 0 500 210 800 600 CrossCursor Controls: Double left click: Restore default axis limits Right click + drag: Move plot Middle click + drag: Zoom to region Scroll wheel: Zoom to cursor false 0 0 &Load data… ¹H ¹³C Avogadro::QtGui::ChartWidget QWidget
avogadro/qtgui/chartwidget.h
1 combo_spectra push_loadSpectra push_options scaleSpinBox offsetSpinBox peakWidth peakThreshold xAxisMinimum xAxisMaximum yAxisMinimum yAxisMaximum push_colorBackground push_colorForeground push_colorCalculated push_export push_colorImported cb_import push_import lineWidthSpinBox fontSizeCombo dataTable push_exportData pushButton tab_widget pushButton clicked() SpectraDialog accept() 525 277 199 149 OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/surfacerender/000077500000000000000000000000001516317240700261525ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/surfacerender/CMakeLists.txt000066400000000000000000000003111516317240700307050ustar00rootroot00000000000000avogadro_plugin(SurfaceRender "Surface and mesh rendering" ScenePlugin surfacerender.h SurfaceRender surfacerender.cpp "") target_link_libraries(SurfaceRender PRIVATE Avogadro::Rendering) OpenChemistry-avogadrolibs-ceb949f/avogadro/qtplugins/surfacerender/surfacerender.cpp000066400000000000000000000251401516317240700315100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "surfacerender.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Mesh; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::MeshGeometry; using Rendering::VolumeGeometry; using Rendering::WideLineGeometry; SurfaceRender::SurfaceRender(QObject* p) : ScenePlugin(p), m_setupWidget(nullptr) { m_layerManager = QtGui::PluginLayerManager(m_name); QSettings settings; // out of 255 m_opacity = settings.value("meshes/opacity", 150).toUInt(); auto color = settings.value("meshes/color1", QColor(Qt::red)).value(); m_color1[0] = static_cast(color.red()); m_color1[1] = static_cast(color.green()); m_color1[2] = static_cast(color.blue()); color = settings.value("meshes/color2", QColor(Qt::blue)).value(); m_color2[0] = static_cast(color.red()); m_color2[1] = static_cast(color.green()); m_color2[2] = static_cast(color.blue()); auto style = settings.value("meshes/style", 0).toInt(); m_style = static_cast\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" OpenChemistry-avogadrolibs-ceb949f/i18n/ar.po000066400000000000000000010227121516317240700212200ustar00rootroot00000000000000# Arabic translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Lihan Zhu , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-12-01 23:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Arabic \n" "Language: ar\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=6; plural=n==0 ? 0 : n==1 ? 1 : n==2 ? 2 : n%100>=3 " "&& n%100<=10 ? 3 : n%100>=11 ? 4 : 5;\n" "X-Generator: Weblate 5.15-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "أكمل" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "غير معروف" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "هيدروجين" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "هيليوم" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "ليثيوم" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "بريليوم" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "بورون" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "كربون" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "نيتروجين" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "أكسجين" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "فلور" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "نيون" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "صوديوم" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "منجنيزوم" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "ألومنيوم" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "سليكون" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "فوسفور" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "كبريت" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "كلور" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "أرجون" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "بوتاسيوم" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "كالسيوم" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "سكانديوم" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "تيتانيوم" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "فانيديوم" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "كروم" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "منجنيز" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "حديد" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "كوبالت" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "نيكال" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "نحاس" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "زنك" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "جاليوم" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "جرمانيوم" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "زرنيخ" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "سيلينيوم" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "بروم" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "كريبتون" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "روبيديوم" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "سترونتيوم" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "يتريوم" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "زركونيوم" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "نيوبيوم" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "مولبيدن" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "تكنيتيوم" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "ئروثينيوم" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "روديوم" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "بلاديوم" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "فضة" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "كاديوم" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "إنديوم" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "قصدير" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "أنتيمون" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "تيلوريوم" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "يود" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "إكزينون" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "سيزيوم" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "باريوم" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "لانثانوم" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "سيريوم" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "براسيوديميوم" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "نيوديميوم" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "بروميثيوم" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "ساماريوم" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "يوروبيوم" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "جادولينيوم" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "تريبيوم" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "ديسبروسيوم" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "هولميوم" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "إريبيوم" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "ثوليوم" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "يتربيوم" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "لوتيسيوم" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "هفنيوم" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "تانتالم" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "تنجستن" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "رينيوم" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "أوزميوم" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "إريديوم" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "بلاتين" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "ذهب" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "زئبق" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "ثاليوم" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "رصاص" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "بزموث" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "بولونيوم" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "أستاتين" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "رادون" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "فرانسيوم" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "راديوم" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "أكتينيوم" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "ثوريوم" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "بروتكتتينيوم" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "يورانيوم" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "نبتونيوم" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "بولتونيوم" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "أمريكيوم" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "كوريوم" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "بركليوم" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "كالفورنيوم" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "أينشتانيوم" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "فرميوم" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "مندليفيوم" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "نوبليوم" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "لورنسيوم" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "رذرفورديوم" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "دبنيوم" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "سيبورجيوم" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "بوريوم" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "هاسيوم" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "مايتنريوم" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "دارمشتانيوم" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "روينتجينيوم" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "الكوبرنيسيوم" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "نيهونيوم" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "الفليروفيوم" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "موسكوفيوم" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "ليفرموريوم" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "تينيسين" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "أوغانيسون" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "كل الملفّات" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "العنوان" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "اﻷساس" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "الكرة والعصا" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "كرتون" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "أوقف" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "تسمية" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "أسطح" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "شبكة" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "بلا عنوان" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "الجدول الدوري" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "ترتيب الرابطة" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" msgstr[4] "" msgstr[5] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" msgstr[4] "" msgstr[5] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" msgstr[4] "" msgstr[5] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" msgstr[4] "" msgstr[5] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&ملف" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "صدِّر" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&بناء" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "عنصر" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "حاذي" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 #, fuzzy msgid "Axis:" msgstr "محور" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "خطأ" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "خطأ" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "نجاح!" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "لون مخصص:" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "عنصر" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "لون عن طريق الشحن الجزئي" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "طيف" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&اعرض" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "تلوين حسب لون الرواسب" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "المنهج:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "بدء" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "أوقف" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "الهيدروجين" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "رباط" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "شريط" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "كرتون" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "كرتون" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "الإضافات" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "النوع" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "اسم العنصر" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 #, fuzzy msgid "Invalid element symbol." msgstr "اسم الملف عير صالح" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "اسم العنصر" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 #, fuzzy msgid "Invalid atom label." msgstr "اسم الملف عير صالح" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "احذف" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "الطاقة" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "رسم" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "المسافة" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "مفرد" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "مضاعف" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "ثلاثي" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "استيراد" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "أفوقادرو" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "مفرد" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "غاز" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "ماء" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "محايد" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "إضافة الهيدروجين" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "إضافة الهيدروجين" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "إزالة الهيدروجين" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "الهيدروجين" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "الهيدروجين" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&إدراج" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "عنصر" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "تسمية" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "لا يوجد وصف" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "قياس" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&خصائص" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "صدِّر" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "صدِّر" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "إضافة الهيدروجين لــpH" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "إزالة الهيدروجين" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "إضافة الهيدروجين" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "إضافة الهيدروجين لــpH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "إزالة الهيدروجين" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" msgstr[4] "" msgstr[5] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "قف مؤقتاً" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "ملفات الافلام )*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "حفظ ملف الفيديو" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "التكافؤ" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "طبّق" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "ذرة" #: qtplugins/propertytables/propertymodel.cpp:666 #, fuzzy msgid "Start Atom" msgstr "بدء &الرسوم المتحركة" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "نهاية الذرة" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "ترتيب الرابطة" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "زاوية" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "خصائص الذرة" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "خصائص الروابط" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "خصائص الزاوية..." #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "خصائص" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "خصائص الذرة" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "خصائص الروابط" #: qtplugins/propertytables/propertyview.cpp:52 #, fuzzy msgid "Angle Properties" msgstr "خصائص الزاوية..." #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "إعادة تعيين" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "عنصر" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 #, fuzzy msgid "&Select" msgstr "ا&ختر" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "عنصر" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "تلوين حسب لون الرواسب" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "اختر" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "أفوقادرو" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "طيف" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "الأشعة تحت الحمراء" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "حدد اللون الأمامي" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 #, fuzzy msgid "Vibrational Spectra" msgstr "الاهتزازات" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "الطاقة" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "مداري" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "المدارات الجزيئية..." #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "أسطح" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "كثافة الإلكترون" #: qtplugins/surfaces/surfaces.cpp:633 #, fuzzy msgid "Calculating spin density" msgstr "كثافة الإلكترون" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "اسم المجموعة" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "بدء &الرسوم المتحركة" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "إيقاف الرسوم المتحركة" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "إهتزاز" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "نجاح!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "لون عن طريق الشحن الجزئي" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "النوع" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "موافق" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "طبّق" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "حفظ ملف الفيديو" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "مع :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "اسم" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "مفرد" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "مضاعف" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy msgid "Method" msgstr "المنهج" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "الطول الموجي" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "العرض:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&مظهر" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Imported Spectra:" msgstr "استيراد الأطياف" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "صدِّر" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&أغلق" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "اضاءه" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "اسم المجموعة" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "اسم المجموعة" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,AtomCell,عبد الله شلي (Abdellah " "Chelli), ,Launchpad Contributions:,AtomCell,TheLight,عبد الله شلي (Abdellah " "Chelli), ,Launchpad Contributions:,TheLight, ,Launchpad Contributions:,Nizar " "Kerkeni,TheLight, ,Launchpad Contributions:,Nizar " "Kerkeni,TheLight, ,Launchpad Contributions:,Nizar " "Kerkeni,TheLight, ,Launchpad Contributions:,Nizar " "Kerkeni,TheLight, ,Launchpad Contributions:,Nizar " "Kerkeni,TheLight, ,Launchpad Contributions:,Hsn,Nizar Kerkeni,TheLight,منصور " "اليوسف, ,Launchpad Contributions:,Avogadro Team,Hsn,Nizar " "Kerkeni,TheLight,منصور اليوسف, ,Launchpad Contributions:,Avogadro " "Team,Hsn,Nizar Kerkeni,TheLight,منصور اليوسف, ,Launchpad " "Contributions:,Avogadro Team,Hsn,Nizar Kerkeni,TheLight,منصور " "اليوسف, ,Launchpad Contributions:,Avogadro Team,Hsn,Nizar " "Kerkeni,TheLight,mohamed gamal,منصور اليوسف, ,Launchpad " "Contributions:,Avogadro Team,Hsn,Nizar Kerkeni,TheLight,mohamed gamal,منصور " "اليوسف" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,shelhatem@gmail.com,sneetsher@gmail.com,,,shelhatem@gmail.com,houd.ox@gmail.com,sneetsher@gmail.com,,,houd.ox@gmail.com,,,nizarus@nizarus.org,houd.ox@gmail.com,,,nizarus@nizarus.org,houd.ox@gmail.com,,,nizarus@nizarus.org,houd.ox@gmail.com,,,nizarus@nizarus.org,,,,nizarus@nizarus.org,,,,hh-" "shwaf@hotmail.com,nizarus@nizarus.org,,,,,avogadro-" "devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.org,,,,,avogadro-" "devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.org,,,,,avogadro-" "devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.tn,,,,,avogadro-" "devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.tn,,mohamedgamal8090@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.tn,,mohamedgamal8090@gmail.com," #, fuzzy #~ msgid "Angles:" #~ msgstr "زاوية" #~ msgid "Cancel" #~ msgstr "إلغي" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "&Analysis" #~ msgstr "تحليلي" #, fuzzy #~ msgid "&Import..." #~ msgstr "استيراد" #, fuzzy #~| msgid "Select Background Color" #~ msgid "Set Color..." #~ msgstr "اختر لون الخلفية" #, fuzzy #~ msgid "&Export..." #~ msgstr "صدِّر" #, fuzzy #~| msgid "No data" #~ msgid "&Load data..." #~ msgstr "لاتوجد بيانات" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "لون عن طريق الشحن الجزئي" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "تأثيرات متحركة" #, fuzzy #~ msgid "By Distance" #~ msgstr "المسافة" #, fuzzy #~ msgid "Select Water…" #~ msgstr "عنصر" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "المدارات الجزيئية..." #, fuzzy #~ msgid "Filename" #~ msgstr "اسم الملف عير صالح" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "اسم العنصر" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "كافة الملفات" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "إضافة الهيدروجين لدرجة الحموضةPH ..." #~ msgid "Atom Properties..." #~ msgstr "خصائص الذرة..." #~ msgid "Bond Properties..." #~ msgstr "خصائص الروابط..." #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "خصائص الزاوية..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "خصائص الروابط" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "خصائص الروابط..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "المسافة" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "زاوية" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "الطاقة (eV)" #~ msgid "Yes" #~ msgstr "نعم" #~ msgid "No" #~ msgstr "لا" #, fuzzy #~ msgid "Import" #~ msgstr "استيراد" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "إضافة الهيدروجين" #, fuzzy #~ msgid "Stopped" #~ msgstr "أوقف" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "أسطح" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "لون عن طريق الفهرس (الأحمر ، البرتقالي ، الأصفر ، الأخضر ، الأزرق ، " #~ "البنفسجي)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "اللون عن طريق الشحن الجزئي الذري (أزرق = إيجابي، أحمر = سلبي." #~ msgid "Set custom colors for objects" #~ msgstr "مجموعة الألوان المخصصة للكائنات" #~ msgid "Color by Distance" #~ msgstr "التلوين بالمسافة" #~ msgid "Color by distance from the first atom." #~ msgstr "التلوين بالمسافة عن اول ذرة" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "التلوين بالعناصر (الكربون = رمادي ، والأكسجين = الأحمر ،...)." #~ msgid "SMARTS Pattern:" #~ msgstr "الأنماط الذكية:" #~ msgid "Highlight Color:" #~ msgstr "تسليط الضوء على اللون :" #~ msgid "Color by SMARTS Pattern" #~ msgstr "اللون عن طريق الأنماط الذكية" #~ msgid "Ununtrium" #~ msgstr "أنون-تريوم" #~ msgid "Ununpentium" #~ msgstr "أنون-بينتيوم" #~ msgid "Ununseptium" #~ msgstr "أنون-سيبتيوم" #~ msgid "Ununoctium" #~ msgstr "أنون-أوكتيوم" #~ msgid "Engines" #~ msgstr "المحركات" #~ msgid "Axes" #~ msgstr "المحاور" #~ msgid "Hydrogen Bond" #~ msgstr "رابطة هيدروجينية" #~ msgid "Renders hydrogen bonds" #~ msgstr "تكوين الروابط الهدروجينية" #~ msgid "Select Atom Labels Color" #~ msgstr "اختيار الوان أسماء الذرات" #~ msgid "Select Bond Labels Color" #~ msgstr "اختيار الوان أسماء الروابط" #~ msgid "Select Bond Labels Font" #~ msgstr "اختيار خط اسماء الروابط" #~ msgid "Polygon" #~ msgstr "مضلّع" #~ msgid "Ring" #~ msgstr "حلقة" #~ msgid "Simple Wireframe" #~ msgstr "شبكة بسيطة" #~ msgid "Stick" #~ msgstr "الصق" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Animation..." #~ msgstr "الرسوم المتحركة..." #~ msgid "Read trajectory file %1 failed." #~ msgstr "قراءة مسار الملف %1 فشل." #~ msgid "Must specify a valid .avi file name" #~ msgstr "يجب تحديد اسم ملف avi. صحيح" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "اسم ملف فيديو غيرصحيح. يجب ادخال مسار الملف بالكامل" #~ msgid "Open chemical file format" #~ msgstr "فتح ملف التنسيق الكيميائية" #~ msgid "Chemical files (*.xyz)" #~ msgstr "الملفات الكيميائية (*.xyz)" #~ msgid "Add or remove hydrogens" #~ msgstr "إضافة أو إزالة الهيدروجين" #~ msgid "Show Preview" #~ msgstr "عرض المعاينة" #~ msgid "Hide Preview" #~ msgstr "إخفاء المعاينة" #~ msgid "You must make a selection!" #~ msgstr "يجب ان تقوم بالاختيار!" #~ msgid "Advanced Settings Reset" #~ msgstr "إعادة تعيين الإعدادات المتقدمة" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "هل أنت متأكد تريد إعادة تعيين الإعدادات المتقدمة؟\n" #~ "سيتم فقدان كافة التغييرات!" #~ msgid "Basic Settings Reset" #~ msgstr "إعادة تعيين الإعدادات الأساسية" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "هل أنت متأكد تريد إعادة تعيين الإعدادات الأساسية ؟\n" #~ "سيتم فقدان كافة التغييرات!" #~ msgid "&Dalton..." #~ msgstr "&دالتون..." #~ msgid "There is already a selection with this name." #~ msgstr "هناك بالفعل مجموعة بهذا الاسم." #~ msgid "Transmittance (%)" #~ msgstr "النفاذية (%)" #~ msgid "Absorbance (%)" #~ msgstr "الامتصاصية (%)" #~ msgid "Activity" #~ msgstr "النشاط" #~ msgid "Y Axis" #~ msgstr "محورY" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&إعدادات أطياف الأشعة تحت الحمراء" #~ msgid "Dark" #~ msgstr "غامق" #~ msgid "Publication" #~ msgstr "منشور" #~ msgid "New Scheme" #~ msgstr "مخطط جديد" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Data Format" #~ msgstr "تنسيق البيانات" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Save Spectra Image" #~ msgstr "حفظ صورة الأطياف" #~ msgid "&Advanced <<" #~ msgstr "&متقدم <<" #~ msgid "&Advanced >>" #~ msgstr "&متقدم >>" #~ msgid "&Spectra..." #~ msgstr "&أطياف..." #~ msgid "Vibrational Analysis" #~ msgstr "تحليل الاهتزازات" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "تصور وسائط الذبذبات من الحسابات كيمياء الكم" #~ msgid "Orbitals" #~ msgstr "المدارات" #~ msgid "Building video " #~ msgstr "بناء الفيديو " #~ msgid "Connect" #~ msgstr "اتصل" #~ msgid "Disconnect" #~ msgstr "اقطع الاتصال" #~ msgid "Debug Information" #~ msgstr "معلومات تصحيح الأخطاء" #~ msgid "Tools" #~ msgstr "أدوات" #~ msgid "Align:" #~ msgstr "المحاذاة:" #~ msgid "Everything" #~ msgstr "كل شئ" #~ msgid "Algorithm:" #~ msgstr "الخوارزمية:" #~ msgid "Positive" #~ msgstr "موجب" #~ msgid "Negative" #~ msgstr "سالب" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Load" #~ msgstr "تحميل" #~ msgid "All" #~ msgstr "الجميع" #~ msgid "Algorithm" #~ msgstr "الخوارزمية" #~ msgid "Advanced" #~ msgstr "متطور" #~ msgid "Grid" #~ msgstr "شبكة" #~ msgid "System" #~ msgstr "نظام" #~ msgid "Misc" #~ msgstr "متفرقات" #~ msgid "Read" #~ msgstr "إقرأ" #~ msgid "Check" #~ msgstr "فحص" #~ msgid "Debug" #~ msgstr "نقّح" #~ msgid "Minutes" #~ msgstr "دقائق" #~ msgid "Hours" #~ msgstr "ساعات" #~ msgid "Days" #~ msgstr "أيّام" #~ msgid "Weeks" #~ msgstr "أسابيع" #~ msgid "Years" #~ msgstr "سنوات" #~ msgid "Memory:" #~ msgstr "الذاكرة:" #~ msgid "Skip" #~ msgstr "تخطّي" #~ msgid "Numeric" #~ msgstr "رقمي" OpenChemistry-avogadrolibs-ceb949f/i18n/avogadrolibs.pot000066400000000000000000007641741516317240700234740ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2026 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # FIRST AUTHOR , YEAR. # #, fuzzy msgid "" msgstr "" "Project-Id-Version: Avogadro 1.103.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" "Language: \n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=INTEGER; plural=EXPRESSION;\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32 :2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92 :2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95 :2115 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193 :895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264 :1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119 :491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74 :485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81 :1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30 :96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821 :183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823 :180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825 :174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827 :177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829 :186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 :171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235 :344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247 :1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259 :1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34 :201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531 :2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27 :226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60 :235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62 :238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64 :241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247 :2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568 :296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35 :293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145 :1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392 :948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360 :1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303 :419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209 :1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242 :1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169 :650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125 :1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124 :398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518 :692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75 :1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497 :1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070 :1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17 :1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83 :2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143 :1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27 :1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30 :2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78 :2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32 :1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846 :1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272 :1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34 :2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39 :2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for " "optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" OpenChemistry-avogadrolibs-ceb949f/i18n/bg.po000066400000000000000000010315021516317240700212030ustar00rootroot00000000000000# Bulgarian translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Apostol Penkov , 2020. # Salif Mehmed , 2023. # Eisuke Kawashima , 2024, 2025, 2026. # Ivo Pilev , 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-12 19:09+0000\n" "Last-Translator: Ivo Pilev \n" "Language-Team: Bulgarian \n" "Language: bg\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, fuzzy, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Групова работа #%L1 (%2)" #: molequeue/client/client.cpp:240 #, fuzzy msgid "No message specified." msgstr "Не специфично съобщение" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Script --print-options може да изпраща само JSON обекти на най-голямото " "ниво. Получено:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Не е текст предупреждение изпратено." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' член не е в масива." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Препратка файл '%1' не съществува." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Грешка попълване файл %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Файл '%1' е бедно форматиран. Липсва текст 'contents' или 'filePath' членове." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, fuzzy, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Не формулиран запис на файл: името на файла/попълненията липсват или " "текста:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Не до формиран файл надпис в индекст %1: Не е обект." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' член не е масив." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' член липсва." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' член не е препратен към запис 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' членове трябва да бъдат текст." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Отговор трябва да бъде JSON обект в високо ниво." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, fuzzy, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Скрипт заден пост:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Грешка запазването на молекули се репрезентира в текст:Непознат файл " "фортмат: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Грешка при запазване на молекулна презентация в текст: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Грешка при генериране на cjson обект:грешка при разбиване в разместването " "%1: %2\n" "Суров JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Грешка при генератор cjson обект: Разбит JSON не е обект:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Генератор на вход (грешка)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 генератор на вход" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Продължи" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Затваряне" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Неизвестен" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Следващият файл беше модифициран:\n" "\n" "%1\n" "\n" "Искате ли да презапишеш Вашите смени да отразиш нова геометрия или нови " "опции за работа?" msgstr[1] "" "Следващите файлове бяха модифицирани:\n" "\n" "%1\n" "\n" "Искате ли да презапишете Вашите смени да отразиш нова геометрия или нови " "опции за работа?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Презапишете модифицирани файлове за вход?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Грешка се появи по време на генерирането на вход:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Входа не е запазен!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Не може да се свържи MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Не може да се свържеш до MoleQueue сървъри. Моля оведови се че върви и " "опитай отново." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Изпрати %1 калкулации" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Работата се провали" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Работата не свърши успешно." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Скрипт връща предупреждавания:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Скрий& Предупреждения" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Покажи & Предупреждения" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Грешка се появи:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Избери изходна filename" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Няма молекула поставена в BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Няма поставено име в BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Водород" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Хелий" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Литий" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Берилий" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Бор" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Въглерод" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Азот" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Кислород" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Флуор" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Неон" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Натрий" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Магнезий" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Алуминий" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Силиций" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Фосфор" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Сяра" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Хлор" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Аргон" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Калий" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Калций" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Скандий" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Титан" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Ванадий" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Хром" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Манган" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Желязо" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Кобалт" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Никел" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Мед" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Цинк" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Галий" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Германий" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Арсен" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Селен" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Бром" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Криптон" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Рубидий" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Стронций" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Итрий" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Цирконий" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Ниобий" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Молибден" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Технеций" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Рутений" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Родий" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Паладий" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Сребро" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Кадмий" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Индий" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Калай" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Антимон" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Телурий" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Йод" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ксенон" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Цезий" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Барий" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Лантан" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Церий" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Празводим" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Неодим" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Прометий" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Самарий" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Европий" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Гадолиний" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Тербий" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Диспросий" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Холмий" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Ербий" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Тулий" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Итербий" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Лутеций" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Хафний" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Тантал" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Волфрам" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Рений" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Осмий" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Иридий" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Платина" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Злато" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Живак" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Талий" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Олово" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Бисмут" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Полоний" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Астат" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Радон" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Франций" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Радий" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Актиний" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Торий" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Протактиний" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Уран" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Нептуний" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Плутоний" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Америций" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Кюрий" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Берклий" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Калифорний" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Айнщайний" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Фермий" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Менделевий" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Нобелий" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Лоуренсий" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Рутерфордий" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Дъбний" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Сиборгий" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Бохрий" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Хасий" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Метерий" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Дармщадий" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Рентгий" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Коперниций" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Нихоний" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Флеровий" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Московий" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Ливерморий" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Тенесин" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Оганесон" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Всички файлове" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Име" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Анимационна" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Сила" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Етикет" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Повърхности" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waal" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Контури" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Без заглавие" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Ред на връзките" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Файл" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "Изнасяне" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Изграждане" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 #, fuzzy msgid "Axis:" msgstr "Ос:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Грешка" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Грешка" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Успех" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Потребителски цвят…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "по частичен заряд…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Спектри" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Изглед" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy msgid "Optimize" msgstr "Oптимизиран" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Oптимизиране на геометрията" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Ред на връзките" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Ред на връзките." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Анимационна" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Максимално разстояние:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Разширения" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Скриптове" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Проблем с четенето на файла с траектория '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Изчисляване" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Вид" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Атом 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Атом 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Атом 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Атом 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Прекалено малко записи на линията." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Грешка при прикагане на геометрията" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Копирай" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Изтриване" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Енергия" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Геометрична оптимизация" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Разстояние:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "Внасяне" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Посочената молекула не може да бъде открита: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Добиване от PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Авогадро" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Енергия = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Без" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Водород" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Вмъкване" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Молекулярни…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Елемент" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Молекулярни…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Свойства" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Молекулярни свойства" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Свойства на молекулата" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Изнасяне…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Навигация" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Oптимизиране на геометрията (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Формати за файл" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Генератор на Вход" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Команди" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Износ на Bitmap Графика" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "видео файлове (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Запазване на файл" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Валентност" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 #, fuzzy msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Краен атом" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Ред на връзките" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Дължина (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Връх" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Ъгъл" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Свойства на атома…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Свойства на връзката…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Свойства на ъгъла…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Свойства на атома" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Свойства на връзката" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Свойства на ъгъла" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Избиране" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Избиране" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Спектри" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Инфрачервен" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Енергия" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Плътност на електроните" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Изчисляване плътността на електроните" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Група %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Успех!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "частичен заряд" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Добре" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Запазване на файл…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "име" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Външен вид" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Imported Spectra:" msgstr "Внасяне на спектър:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Изчислен спектър:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Група" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Групи:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com" #, fuzzy #~ msgid "Angles:" #~ msgstr "Ъгъл:" #~ msgid "Cancel" #~ msgstr "Отказ" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "&Import..." #~ msgstr "Внасяне" #, fuzzy #~ msgid "&Export..." #~ msgstr "Изнасяне…" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Цвят по частичен заряд" #, fuzzy #~| msgid "Animation..." #~ msgid "Animation Tool" #~ msgstr "Анимация" #, fuzzy #~ msgid "Geometry" #~ msgstr "Oптимизиране на геометрията" #, fuzzy #~ msgid "By Distance" #~ msgstr "Цвят по разстояние" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Копирай" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Молекулярни свойства" #, fuzzy #~ msgid "Filename" #~ msgstr "Грешно име на файл" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Елемент" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Всички файлове" #~ msgid "Atom Properties..." #~ msgstr "Свойства на атома..." #~ msgid "Bond Properties..." #~ msgstr "Свойства на връзка..." #~ msgid "Angle Properties..." #~ msgstr "Свойства на връзката..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Свойства на връзката" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Свойства на молекулата..." #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ъгъл %1" #, fuzzy #~ msgid "No" #~ msgstr "Неон" #, fuzzy #~ msgid "Import" #~ msgstr "Внасяне" #~ msgid "E&xtensions" #~ msgstr "&Разширения" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Oптимизиране на геометрията" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Геометрична оптимизация" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Повърхности" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Цвят по индекс (червен, оранжев, жълт, зелен, син, лилав)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Цвят по атомен частичен заряд (син = положителен, червен = отрицателен)" #~ msgid "Set custom colors for objects" #~ msgstr "Задаване потребителски цветове за обектите" #~ msgid "Color by distance from the first atom." #~ msgstr "Цвят по разстояние от първият атом." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Цвят по елемент (въглерод = сив, кислород = червен, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Цвят по група (тип на амино киелината, хидрофобност, ...)" #~ msgid "Ununtrium" #~ msgstr "Унунбий" #~ msgid "Ununpentium" #~ msgstr "Унунпентиум" #~ msgid "Ununseptium" #~ msgstr "Унунсептий" #~ msgid "Ununoctium" #~ msgstr "Унуноктий" #~ msgid "Engines" #~ msgstr "Системи" #~ msgid "Axes" #~ msgstr "Оси" #~ msgid "Hydrogen Bond" #~ msgstr "Водородна връзка" #~ msgid "Polygon" #~ msgstr "Многоъгълник" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Рендерира атомите като тетраедър, октаедър и други многоъгълници" #~ msgid "Ring" #~ msgstr "Пръстени" #~ msgid "Simple Wireframe" #~ msgstr "Проста решетка" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Рендерира връзките като въжета (линии), идеално за големи молекули" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Рендерира връзките като въжета (линии), идеално за много големи " #~ "(био)молекули" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Добавяне на разширение .avi" #~ msgid "Cannot read file format of file %1." #~ msgstr "Файловият формат на файла %1 не може да бъде прочетен." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Четенето на файла с траектория %1 се провали." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Трябва да се зададе валидно име на файл .avi" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Невалидно име на видео файл. Трябва да включва пълния път за достъп" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Невалидно име на видео файл. Трябва да включва пълния път за достъп и " #~ "име, завършващо с .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Анимиране на траектории, взаимодействия и вибрации." #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "За да се добави ограничение, молекулата трябва да съдържа поне един атом" #~ msgid "Trajectory..." #~ msgstr "Траектория..." #~ msgid "Open chemical file format" #~ msgstr "Отваряне на химически файлов формат" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Химически файлове (*.xyz)" #~ msgid "Import Trajectory" #~ msgstr "Внасяне на траектория" #~ msgid "Import trajectory files" #~ msgstr "Внасяне на файлове с траектория" #~ msgid "Peptide..." #~ msgstr "Пептид..." #~ msgid "Fetch from URL..." #~ msgstr "Добиване от URL..." #~ msgid "URL" #~ msgstr "Адрес" #~ msgid "URL of molecule to download." #~ msgstr "Адрес на молекулата за изтегляне" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Посочената молекула не може да бъде заредена: %1" #~ msgid "Fetch molecule files over the network." #~ msgstr "Добиване на файлове с молекули от мрежата" #~ msgid "Show Preview" #~ msgstr "Предварителен преглед" #~ msgid "Hide Preview" #~ msgstr "Скриване на прегледа" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Запазване на изображение, рендерирано с POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Изображения (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Не е въведено валидно име на файл." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не може да се направи запис във файлът %1. Имате ли права за запис в това " #~ "местоположение?" #~ msgid "Python Terminal" #~ msgstr "Терминал на Python" #~ msgid "You must make a selection!" #~ msgstr "Трябва да направите избиране!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Advanced Settings Changed" #~ msgstr "Разширените настройки са променени" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Разширените настройки са променени.\n" #~ "Отмяна?" #~ msgid "Advanced Settings Reset" #~ msgstr "Връщане на разширените настройки" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Сигурни ли сте, че желаете да върнете разширените настройки?\n" #~ "Всички промени ще бъдат изгубени!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Сигурни ли сте, че желаете да върнете основните настройки?\n" #~ "Всички промени ще бъдат изгубени!" #~ msgid "There is no current selection." #~ msgstr "Няма текуща селекция." #~ msgid "Name cannot be empty." #~ msgstr "Името не може да бъде празно" #~ msgid "There is already a selection with this name." #~ msgstr "Вече има селекция с такова име." #~ msgid "Y Axis" #~ msgstr "Ос Y" #~ msgid "Publication" #~ msgstr "Публикация" #~ msgid "New Scheme" #~ msgstr "Нова схема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Потвърждение премахването на схемата" #~ msgid "Really remove current scheme?" #~ msgstr "Наистина ли да бъде премахната текущата схема" #~ msgid "Enter new name for current scheme:" #~ msgstr "Въведете ново име за текущата схема:" #~ msgid "Unknown extension: %1" #~ msgstr "Неизвестно разширение: %1" #~ msgid "Data Format" #~ msgstr "Формат на данните" #~ msgid "Load Spectral Data" #~ msgstr "Зареждане на спектрални данни" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Building video " #~ msgstr "Изграждане на видео " OpenChemistry-avogadrolibs-ceb949f/i18n/bs.po000066400000000000000000011510101516317240700212140ustar00rootroot00000000000000# Bosnian translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2011. # Emin Macanović , 2021. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Bosnian \n" "Language: bs\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Generator umetanja" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zatvori" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Nepoznat" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Molekula nije postavljena u BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vodonik" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helijum" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litijum" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilijum" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Ugljenik" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Kiseonik" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrijum" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnezijum" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminijum" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicijum" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sumpor" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Hlor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalijum" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcijum" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandijum" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanijum" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadijum" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Hrom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Željezo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikl" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Bakar" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galijum" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanijum" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidijum" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncijum" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrijum" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Cirkonijum" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobijum" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tehnecijum" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenijum" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodijum" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladijum" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmijum" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indijum" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Kalaj" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cezijum" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barijum" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerijum" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Prazeodijum" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodijum" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometijum" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarijum" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europijum" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinijum" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbijum" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosijum" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmijum" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbijum" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulijum" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbijum" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutecijum" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnijum" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renijum" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmijum" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridijum" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Živa" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talijum" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonijum" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francijum" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radijum" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinijum" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torijum" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinijum" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunijum" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonijum" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americijum" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kirijum" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berklijum" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornijum" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Ajnštajnijum" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermijum" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendeljevijum" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelijum" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lorencijum" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Radefordijum" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnijum" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Siborgijum" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Nilsborijum" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hasijum" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Majcnerijum" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmštatijum" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Rentgenijum" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernicij" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonij" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovij" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovij" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorij" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Sve datoteke" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teorija" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Osnova" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Sklupčaj i zalijepi" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Crtež" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Oznaka" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površi" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Vals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Vals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žičani model" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "bez naslova" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodni sistem" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Dodaj atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Ukloni atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Podesi vodonik" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Promijeni element" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Promijeni element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Dodaj vezu" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Ukloni vezu" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Promijeni smijer veze" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Miči na veze" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Popuni jedinicu ćelije" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Postavke" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Izgradi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Poravnanje" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Osa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Poravnaj molekule po Kartezijevoj osi" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Greška" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Uspjeh" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Boja po izboru…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "djelomični naboj…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "sekundarnu strukturu" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Amino kiseline" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spektri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Pogled" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Boja ostatku" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimizacija" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Početak" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Zaustavi" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimizacija Geometrije" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekularna dinamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Prikaži višestruke spojeve" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulacija centralnom vezom" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulacija centralnom vezom." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Veze" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Kičma" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Traka" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Crtež" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Ekstenzije" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Skripte" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Ostalo…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Ugao" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tip" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indikacije atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Obriši" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrijska optimizacija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekularna mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugovani gradijent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Najveći nagib" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolni moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Nacrtaj" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Nacrtaj atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Rastojanje:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Jednostruka" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dvostruka" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trostruka" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "Uvoz" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Hemijska struktura za download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Mrežni download nije uspio" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Istek vremena mreže ili druga greška." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Navedena molekula ne može biti pronađena: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Donesi iz PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energija = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimizacija polja sile" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS ulaz" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "jedne tačke" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Ekvilibrijum geometrija" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Prelazno stanje" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvencije" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Napravi EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencijal jezgra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ništa" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Jednorka" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dvojka" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Trojka" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikatjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "katjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutralan" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Podesi vodonik" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Dodaj vodik" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Izbaci vodike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Vodici" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodici" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Ubaci" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Ubaci fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Ubaci fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Ubaci molekularne fragmente za pravljenje većih molekula." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Boje:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Jedinstveni id" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Grupne oznake:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Da li želita da osvježite pregled teksta, gubeći sve promjene napravljene u " "pregledu okna Lammps ulaznog deka?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Neprozirnost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravljaj" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mjera" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedarski:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Ugao:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekulrna…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Osobine" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekularne postavke" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "svojstva molekule" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Izvezi CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Ne može se otvoriti datoteka za pisanje." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Izvezi…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigacija" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Hemijsko ime" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Podesi polje sile…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Pretraga konformera…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Opažene veze" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj vodike za pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Izbaci vodike" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizacija Geometrije (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj vodik (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj vodike za pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Izbaci vodike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Da li želite da osvježite pregled teksta, gubeći sve promjene napravljene u " "pregledu okna OpenMM ulaznog deka." #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Generator umetanja" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Dinamički spojevi?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "video datoteke (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Snimi datoteku" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valencija" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Boje" #: qtplugins/propertytables/propertymodel.cpp:657 #, fuzzy msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Zaustavi atom" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Vrsta veze" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Dužina (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Sekundarna Struktura" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Tjeme" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Ugao (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Postavke atoma…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Postavke spoja…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Postavke ugla…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Torzione postavke…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Prozori za prikazivanje postavki atoma, spojeva, ugla i torzije." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Svojstva" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Postavke atoma" #: qtplugins/propertytables/propertyview.cpp:49 #, fuzzy msgid "Bond Properties" msgstr "Postavke spoja" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Postavke ugla" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Torzione postavke" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Postavke konformera" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Odabir po ostatku…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Izaberi" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Odabir ostatku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Izaberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Izbor" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Popuni jedinicu ćelije…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektri" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infracrveno" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektrona" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Valni broj (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Raman spektar" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "NMR Spektri" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Promjer (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Energija (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Gustina elektrona" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Kreiraj površine…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Izračunavanje gustine elektrona" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Grupe %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Počni animaciju" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Zaustavi animaciju" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibracija" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 se nije uspio pokrenuti" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Forma" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Ubaci fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje sila:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspjeh!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "djelomični naboj" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tip:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Dodaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "U redu" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Primijeni" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Resetuj sve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Podrazumijevano" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Snimi datoteku…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Osnovno podešavanje" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcije super ćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C ponavljanje:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Vrsta veze:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS ulaz" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Unutra:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Višestrukost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Sa:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naboj:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ime" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "Nucleic Acids:" msgstr "Nukleinske kiseline:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Ostalo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Jednostruka" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dvostruka" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartična kiselina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cistein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutaminozna kiselina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tirtofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Meitonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sekvenca (N do C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereohemija:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Ravni lanac" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Broj lanca" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Broj lanca za novi peptid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Koristi formu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Pretraga konformera" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Broj konformera:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematična kružna pretraga" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Nasumična kružna pretraga" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Opterećena kružna pretraga" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Najveći nagib" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Polje sila:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referenca" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Jednostruka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvostruka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Izgled" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Uneseni spektar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Prikaži" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Unosi tsv eksperimentalnih spektara da se oblože na crtežu." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Pozadina:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Izračunati spektar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Izvezi podatke" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zatvori" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrole:\n" "Dvostruki lijevi klik: Vrati zadane limite ose\n" "Desni klik + povlačenje: Pomakni crtež\n" "Srednji klik + povlačenje: Uvećaj područje\n" "Skrol točkić: Povećaj na kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Kreiraj površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Boja po:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Electrostatski potencijal" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rezolucija:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Vrijednost zasićenja izopovršine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svjetlo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Koordinate:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupe" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:, ,Launchpad Contributions:,Avogadro " "Team, ,Launchpad Contributions:,Avogadro Team,Damir Zubanović,Samir " "Ribić, ,Launchpad Contributions:,Avogadro Team,Damir Zubanović,Samir " "Ribić, ,Launchpad Contributions:,Avogadro Team,Damir Zubanović,Samir Ribić" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,avogadro-devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #, fuzzy #~ msgid "Angles:" #~ msgstr "Ugao:" #, fuzzy #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Odustani" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Prozori za prikazivanje postavki atoma, spojeva, ugla i torzije." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analitika" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Uvezi..." #~ msgid "Set Color..." #~ msgstr "Postavi boju..." #~ msgid "&Export..." #~ msgstr "&Izvezi..." #~ msgid "&Load data..." #~ msgstr "&Učitaj podatke..." #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "djelomični naboj" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacija" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Optimizacija Geometrije" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Popuni jedinicu ćelije" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indikacije atoma" #, fuzzy #~ msgid "By Distance" #~ msgstr "Rastojanje" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indikacije atoma" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Naelektrisanje molekule:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekularna masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Hemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of Bonds:" #~ msgstr "Broj spojeva:" #~ msgid "TODO" #~ msgstr "ZADACI" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Veličina skoka:" #, fuzzy #~ msgid "In." #~ msgstr "Unutra:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #~ msgid "Other..." #~ msgstr "Ostalo..." #, fuzzy #~ msgid "Filename" #~ msgstr "Ime datoteke:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigacija" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigacija" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Ime elementa" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Diedarski:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekul" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Nema postavljene molekule" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj vodike za pH" #~ msgid "Atom Properties..." #~ msgstr "Postavke atoma..." #~ msgid "Bond Properties..." #~ msgstr "Postavke spoja...." #~ msgid "Angle Properties..." #~ msgstr "Postavke ugla..." #~ msgid "Torsion Properties..." #~ msgstr "Postavke torzije..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Postavke molekule..." #~ msgid "Create Surfaces..." #~ msgstr "Kreiraj površine..." #~ msgid "Insert Fragment..." #~ msgstr "Umetni fragment..." #~ msgid "Theory:" #~ msgstr "Teorija:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distanca (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "okretljiv" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Konformer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ugao %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torzija %1" #, fuzzy #~ msgid "Torsion" #~ msgstr "Torzija %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energija (kJ/mol):" #, fuzzy #~ msgid "Yes" #~ msgstr "Godine" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Uvoz" #~ msgid "Insert SMILES" #~ msgstr "Ubaci SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Ubaci SMILES fragmente:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Ubaci fragment" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Ubaci molekularne fragmente za pravljenje većih molekula" #~ msgid "E&xtensions" #~ msgstr "P&roširenja" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizacija Geometrije" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrijska optimizacija" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Dodaj vodik" #, fuzzy #~ msgid "Stopped" #~ msgstr "Zaustavi" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Površi" #~ msgid "Color by Index" #~ msgstr "Boja po indeksu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Boja po indeksu (crvena, narandžasta, žuta, zelena, plava, ljubičasta)." #~ msgid "Color by Partial Charge" #~ msgstr "Boja po djelimičnom naboju" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Boja po atomskom djelimičnom naboju" #~ msgid "Custom Color:" #~ msgstr "Proizvoljna boja:" #~ msgid "Set custom colors for objects" #~ msgstr "Postavi vlastite boje za objekte" #~ msgid "Color by Distance" #~ msgstr "Boja po udaljenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Boja po udaljenosti od prvog atoma" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Boja po elementu (ugljenik = sivi, kiseonik = crveni, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Boja po ostatku (tip amino kiselina, hidrofobnost, ..." #~ msgid "Ununtrium" #~ msgstr "Ununtrijum" #~ msgid "Ununpentium" #~ msgstr "Ununpentijum" #~ msgid "Ununseptium" #~ msgstr "Ununseptijum" #~ msgid "Ununoctium" #~ msgstr "Ununoktijum" #~ msgid "Engines" #~ msgstr "Mašine" #~ msgid "Axes" #~ msgstr "Ose" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renderira primitive koristeći Lopte (atomi) i Štapiće(veze)" #~ msgid "Hydrogen Bond" #~ msgstr "Vodikov spoj" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderira vodikove veze" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Pravi atome kao tretraedre, oktaedre i ostale poligone" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderira okosnice proteina kao trake" #~ msgid "Ring" #~ msgstr "Prsten" #~ msgid "Renders rings with colored planes" #~ msgstr "Renderira prstene sa kružnim ramovima" #~ msgid "Simple Wireframe" #~ msgstr "Jednostavni Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renderira spojeve kao žce(linije), idealne za velike molekule" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsove sfere" #~ msgid "Stick" #~ msgstr "Štap" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Gustina elektrona, izopovršina = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, izopovršina = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Renderira veze kao žice(linije), idealno za veoma velike (bio)molekule" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Dodajem .avi ekstenziju" #~ msgid "Animation..." #~ msgstr "Animacija..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Ne mogu čitati datotečni format datoteke %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Čitanje datoteke puta %1 neuspješno." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Morate navesti validno .avi ime datoteke" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL dodatak nije inicijaliziran korektno u namjeri da se snimi video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nepostojeće ime video datoteke. Mora uključivati puno odredište datoteke" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Pogrešno ime video datoteke. Mora uključivati puno odredište datoteke sa " #~ "imenom koje završava sa .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animiraj putanje, reakcije i vibracije." #~ msgid "Cartesian Editor..." #~ msgstr "Kartezijev uređivač..." #~ msgid "Number of atoms: %1" #~ msgstr "Broj atoma: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Broj okretnih veza: %1" #~ msgid "Add constraint" #~ msgstr "Dodaj ograničenje." #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati bar jedan atom da bi dodali ograničenje." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati najmanje dva atoma da bi dodali ograničenje " #~ "veze" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati najmanje tri atoma da bi dodale ugaono " #~ "ograničenje" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati najmanje četiri atoma da bi dodali " #~ "trozijono ograničenje" #~ msgid "Trajectory..." #~ msgstr "Putanja..." #~ msgid "Open chemical file format" #~ msgstr "Otvori format hemijske datoteke" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Hemijske datoteke (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Hemijske datoteke (*parm7)" #~ msgid "Import Trajectory" #~ msgstr "Unos putanje" #~ msgid "Import trajectory files" #~ msgstr "Unos datoteka putanje" #~ msgid "Calculate Energy" #~ msgstr "Izračunaj energiju" #~ msgid "Conformer Search..." #~ msgstr "Pretraga konformera..." #~ msgid "Constraints..." #~ msgstr "Ograničenja..." #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematska kružna pretraga" #~ msgid "Random Rotor Search" #~ msgstr "Nasumična kružna pretraga" #~ msgid "Weighted Rotor Search" #~ msgstr "Opterećena kružna pretraga" #~ msgid "ForceField" #~ msgstr "Polje sile" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimizuje molekule i generiše konformere koristeči molekularnu mehaniku " #~ "sila polja" #~ msgid "Change H to Methyl" #~ msgstr "Izmijeni H u metil" #~ msgid "H to Methyl" #~ msgstr "H u metil" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Trasformiraj vodike u metil grupe" #~ msgid "Add or remove hydrogens" #~ msgstr "Dodaj ili izbaci vodike" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "ubaci oligopeptidne sekvence" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Procijenjeni moment dipola (D):" #~ msgid "Fetch from URL..." #~ msgstr "Donesi sa URL-a..." #~ msgid "PDB Entry" #~ msgstr "PDB ulaz" #~ msgid "PDB entry to download." #~ msgstr "PDB ulaz za download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekule za download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Navedena molekula ne može biti pokrenuta: %1" #~ msgid "Network Fetch" #~ msgstr "Mrežno dohvatanje" #~ msgid "Fetch molecule files over the network." #~ msgstr "Skini datoteke molekula preko mreže." #~ msgid "Show Preview" #~ msgstr "Pregled" #~ msgid "Hide Preview" #~ msgstr "Sakrij Pregled" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Snimi POV-Ray renderisanu sliku" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Datoteke slike(*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nije predočeno validno ime datoteke." #~ msgid "Does not compute." #~ msgstr "Ne izračunava se." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Tražili ste nedirektno renderisanje koristeći POV-zRay i da ne zadržavate " #~ "datoteku POV-Ray. Ovo će rezultirati da izlaz neće biti spašen. Da li ste " #~ "sigurno da je to ono što želite uraditi?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nemoguće pisati u datoteku %1. Da li imate dozvolu da pišete na toj " #~ "lokaciji?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray se nije uspio pokrenuti." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray se nije uspio pokrenuti. Možda put do izvršne datoteke nije " #~ "postavljen korektno." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Kreiraj datoteke POV-ray i renderiraj ih koristeći komandnu liniju POV-" #~ "ray programa." #~ msgid "Conformer Properties..." #~ msgstr "Postavke konformera..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktivni python terminal za skriptiranje" #~ msgid "QM Matches" #~ msgstr "QM slagfanja" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selekcija..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selekcija" #~ msgid "You must make a selection!" #~ msgstr "Morate napraviti izbor!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES konverzija nedostupna" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES konverzija formata nije dostupna!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Kreiraj ulazne datoteke za GAMESS paket za kvantnu hemiju" #~ msgid "Advanced Settings Changed" #~ msgstr "Napredne postavke su se promijenile" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Napredne postavke su se promijenile.\n" #~ "Odbaciti?" #~ msgid "Advanced Settings Reset" #~ msgstr "Resetuj napredne postavke" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Da li ste sigurni da želite resetovati napredne postavke?\n" #~ "Sve promjene bit će izgubljene!" #~ msgid "Basic Settings Reset" #~ msgstr "Resetuj osnovne postavke" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Da li ste sigurni da želite resetovati osnovne postavke?\n" #~ "Sve promjene bit će izgubljene!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Upozorenje generatora Gausovog ulaznog deka" #~ msgid "Gaussian Running." #~ msgstr "Gaussian se izvršava." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussia se već izvršava. Sačekajte dok se prethodno izračunavanje završi." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian nije instaliran." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 izvršna datoteka ne može biti pronađena" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 se nije pokrenuo. Vjerovatno nije instaliran ispravno." #~ msgid "Running Gaussian calculation..." #~ msgstr "Izvršavam Gaussovo računanje" #~ msgid "G03 Crashed." #~ msgstr "G03 krahirao" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "GaussiaN se nije izvršio korektno. Možda nije instaliran korektno" #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "Mopac Ulazno upozorenje" #~ msgid "MOPAC Running." #~ msgstr "Izvršavanje MOPAC-a." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC se već izvršava. Sačekajte dok se prethodni izračunavanje završi" #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC nije instaliran." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC izvršna datoteka ne može biti pronađena." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Mopac se nije pokrenuo. Vjerovatno nije instaliran ispravno." #~ msgid "Running MOPAC calculation..." #~ msgstr "Izvršavam MOPAC računanje..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC krahirao." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC se nije porenuo korektno. Možda nije instaliran korektno." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Upozorenje NWChem generatora ulaznog deka" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Da li želite da osvježite pregled teksta, gubeći sve promjene napravljene " #~ "u pregledu okna NWChem ulaznog deka?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Upozorenje generatora ulaznog deka" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Da li želite da osvježite pregled teksta, gubeći sve promjene " #~ "napravljenje u pregledu okna Q-Chem ulaznog deka" #~ msgid "Select SMARTS..." #~ msgstr "Izaberi SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Dodaj imenovani odabir..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS odabir" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS uzorak za odabir" #~ msgid "There is no current selection." #~ msgstr "Ne postoji odabir." #~ msgid "Add Named Selection" #~ msgstr "Dodaj imenovani odabir" #~ msgid "Name cannot be empty." #~ msgstr "Polje za ime ne može biti prazno." #~ msgid "There is already a selection with this name." #~ msgstr "Već postoji selekcija sa ovim imenom" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Odaberi atome, spojeve, ostatke" #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaderi" #~ msgid "Open a vertex shader source file" #~ msgstr "Otvori vertex shader izvornu datoteku" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Verteh shader datoteke (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Otvori fragment shader izvornu datoteku" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader datoteke (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Otvori shader parametarsku datoteku" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parametarske datoteke (*params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaderi" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Pokreni i koristi OpenGL 2.0 GLSL shadere" #~ msgid "Transmittance (%)" #~ msgstr "Transmitansa (5)" #~ msgid "Absorbance (%)" #~ msgstr "Apsorpcija(%)" #~ msgid "No intensities" #~ msgstr "Nema intenziteta" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Vibracije učitanih podataka u molekuli imate učitane nema nikakav " #~ "intenzitet podatka. Intenziteti su postavljeni¸ na proizvoljne " #~ "vrijednosti za vizualizaciju." #~ msgid "X Axis" #~ msgstr "X osa" #~ msgid "Y Axis" #~ msgstr "Y osa" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infracrveno, postavke spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR, postavke spektra" #~ msgid "No data" #~ msgstr "Nema podataka" #~ msgid "Dark" #~ msgstr "Tamno" #~ msgid "Publication" #~ msgstr "Publikacija" #~ msgid "Handdrawn" #~ msgstr "Ručno" #~ msgid "New Scheme" #~ msgstr "Nova šema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potvrdi brisanje šeme" #~ msgid "Really remove current scheme?" #~ msgstr "Zaista želite ukloniti trenutnu šemu?" #~ msgid "Change Scheme Name" #~ msgstr "Promjeni ime šeme" #~ msgid "Enter new name for current scheme:" #~ msgstr "Unesi novo ime za trenutnu šemu" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Vrijednosti odvojene tabom (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Vrijednosti odvojene tabom" #~ msgid "Comma Separated Values" #~ msgstr "Vrijednosti odvojene zarezom" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Nepoznata ekstenzija: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR podaci (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomol IR podaci (control)" #~ msgid "Data Format" #~ msgstr "Format podataka" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Učitaj spektralne podatke" #~ msgid "Portable Network Graphics" #~ msgstr "Prijenosna Mrežna Grafika" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image format datoteke" #~ msgid "Windows Bitmap" #~ msgstr "Windows bitmapa" #~ msgid "Portable Pixmap" #~ msgstr "Portabilna Piksmapa" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmapa" #~ msgid "X11 Pixmap" #~ msgstr "X11 Piksmapa" #~ msgid "Save Spectra Image" #~ msgstr "Snimi sliku spektra" #~ msgid "&Spectra..." #~ msgstr "&Spektar..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Vizualziraj spektralne podatke od proračuna kvantne hemije" #~ msgid "No vibrational displacements exist." #~ msgstr "Postoje vibracionalne zamjene." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Vizualiziraj vibracione modove izračuna kvantne hemije" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sortiranje %1 vibracija po frekvenciji..." #~ msgid "Super Cell Builder..." #~ msgstr "Super ćelijski graditelj..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Ovaj dokument je trenutno izolirana molekula. Trebate kreirati jediničnu " #~ "ćeliju." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Izgradi i prikaži kristalografitne super ćelije" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ništa" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Vals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Gustina elektrona" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Greška - nedefinisan tip" #~ msgid "Calculating VdW Cube" #~ msgstr "Izračunavanje VdW kocke" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Izračunavanje MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL dodatak nije korektno inicijaliziran da bi se napravio video" #~ msgid "GL widget has no molecule" #~ msgstr "GL dodatak nema molekulu" #~ msgid "Building video " #~ msgstr "Pravljenje videa " #~ msgid "Could not run mencoder." #~ msgstr "Ne može pokrenuti menkoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Postavi omjer" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Trenutna avogadrova scena je velika %1x%2 piksela, i ima omjer %3.\n" #~ "Možete zadržati ovu vrijednost, na primjer ako mislite koristiti POV-" #~ "Zrake\n" #~ "za proizvodnju slike od %4x1000 piksela, ili možete unijeti bilo koju " #~ "pozitivnu vrijednost,\n" #~ "na primjer 1 ako mislite koristiti POV-Zrake za proizvdnju kvadratne " #~ "slike, 1000x1000 piksela." #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Nevažeći OpenGL kontekst.\n" #~ "Ili je nešto sasvim pokvareno u OpenGL podešavanjima (možete li pokrenuti " #~ "bilo koju OpenGL aplikaciju?), ili ste našli bug." #~ msgid "Debug Information" #~ msgstr "Informacije za otklanjanje grešaka" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Veličina pogleda: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomi %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 van dosega" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Tip datoteke '%1' nije podržan za čitanje." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Tip datoteke za datoteku '%1' nije podržan za čitanje." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Čitanje molekule sa indeksom %1 iz datoteke '%2' nije uspjelo" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "zamijeni Molekulu: index %1 van dosega" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Tip datoteke '%1' nije podržan za pisanje." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Tip datoteke za datoteku '%1' nije podržan za pisanje." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Ne može se otvoriti datoteka '%1' za čitanje." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Zamjena molekule sa indeksom '%1 u datoteci '%2' nije uspjela." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Datoteka %1 ne može biti otvorena za čitanje." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Datoteka %1 ne može biti otvorena za pisanje." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Spašavanje molekularne datoteke nije uspjelo - ne može se preimenovati " #~ "orginalna datoteka." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Spašavanje molekularne datoteke nije uspjelo - ne može se preimenovati " #~ "nova datoteka." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Spašavanje molekularne datoteke nije uspjelo - ne može se izbrisati stara " #~ "datoteka." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Upisivanje molekule u datoteku '%1' nije uspjelo. OpenBabel funkcija se " #~ "nije uspjela izvršiti." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Datoteka %1 ne može biti otvorena za pisanje." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Pisanje konformera u datoteku '%1' nije uspjelo." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Nepoznat Python pogon" #~ msgid "PythonEngine: checking " #~ msgstr "Python pogon: provjeravanje " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - skripta nema definiranu 'Enginer' klasu" #~ msgid " - no module" #~ msgstr " - nema modula" #~ msgid "Unknown Python Extension" #~ msgstr "Nepoznato Python proširenje" #~ msgid "PythonExtension: checking " #~ msgstr "PythonProširenje: provjerava " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - skripta nema definiranu 'Extension' klasu" #~ msgid "Unknown Python Tool" #~ msgstr "Nepoznata Python traka alata" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: provjera " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - skripta nema definiranu 'Tool' klasu" #~ msgid "Tools" #~ msgstr "Alati" #~ msgid "Align:" #~ msgstr "Poravnanje:" #~ msgid "Everything" #~ msgstr "Sve" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Auto optimizacija: Ne mogu postaviti polje sila...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Koraci za ažuriranje:" #~ msgid "Algorithm:" #~ msgstr "Algoritam:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molekularna dinamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekularna dinamika (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fiksirani atomi su pokretni" #~ msgid "Ignored atoms are movable" #~ msgstr "Zanemareni atomi su pokretni" #~ msgid "AutoOpt Molecule" #~ msgstr "Auto optimizacija molekule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatska optimizacija molekularne geometrije" #~ msgid "AutoOptimization Settings" #~ msgstr "Postavke automatske optimizacije" #~ msgid "Auto Rotation Tool" #~ msgstr "Alat auto rotiranja" #~ msgid "x rotation:" #~ msgstr "x rotacija:" #~ msgid "x rotation" #~ msgstr "x rotacija" #~ msgid "y rotation:" #~ msgstr "y rotacija:" #~ msgid "y rotation" #~ msgstr "y rotacija" #~ msgid "z rotation:" #~ msgstr "z rotacija:" #~ msgid "z rotation" #~ msgstr "z rotacija" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatska rotacija molekula" #~ msgid "AutoRotate Settings" #~ msgstr "Automatska rotacija postavki" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Dužina veza: %L1" #~ msgid " Show Angles" #~ msgstr " Prikaži uglove" #~ msgid "Bond Centric Manipulate" #~ msgstr "Centrično manipuliranje vezama" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulacija duzine spoja, uglova i torzije" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Postavke centričnog manipuliranja vezama" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distanca (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distanca (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedralni ugao: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Razmak(ci):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Izmjeri dužine spoja, uglove i dihedrale" #~ msgid "Draw Bond" #~ msgstr "Crtaj vezu" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Crta i edituje atome i spojeve" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Transliranje, rotiranje i podešavanje atoma i fragmenata" #~ msgid "Manipulate Settings" #~ msgstr "Upravljanje postavkama" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Transliranje, rotiranje i zumiranje oko trenutnog pogleda" #~ msgid "Navigate Settings" #~ msgstr "Postavke orijentacije" #~ msgid "Selection Mode:" #~ msgstr "Način odabira:" #~ msgid "Atom/Bond" #~ msgstr "Atom/veza" #~ msgid "Residue" #~ msgstr "Ostatak" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Odabir atoma, ostaka i molekula" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Dužina veze" #~ msgid "Dihedral Angle" #~ msgstr "Ugao torzije" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor Z matrice..." #~ msgid "Z-Matrix" #~ msgstr "Z-matrica" #~ msgid "Create/edit a z-matrix" #~ msgstr "Kreiraj/izmijeni z-matricu" #~ msgid "Z-Matrix Settings" #~ msgstr "Postavke z-matrice" #~ msgid "Color residues by:" #~ msgstr "Boje ostatka po:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobnost" #~ msgid "Atom Radius:" #~ msgstr "Prečnik atoma:" #~ msgid "Bond Radius:" #~ msgstr "Prečnik spoja:" #~ msgid "Shape" #~ msgstr "Oblik" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Petlja" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Cut-off radius:" #~ msgstr "Prečnik odreza:" #~ msgid "Cut-off angle:" #~ msgstr "Ugao odreza:" #~ msgid "Symbol & Atom number" #~ msgstr "Simbol i atomski broj" #~ msgid "Residue number" #~ msgstr "Broj ostatka" #~ msgid "Custom data" #~ msgstr "Vlastiti podaci" #~ msgid "Bond number" #~ msgstr "Broj veza" #~ msgid "Bond order" #~ msgstr "Uređenje spoja" #~ msgid "Radius:" #~ msgstr "Poluprečnik:" #~ msgid "Include Nitrogens" #~ msgstr "Uključi nitrogene" #~ msgid "VdW Opacity:" #~ msgstr "VdW neprovidnost:" #~ msgid "Orbital:" #~ msgstr "Orbite:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Popuna" #~ msgid "Points" #~ msgstr "Tačke" #~ msgid "Draw Box:" #~ msgstr "Kutija crtanja:" #~ msgid "Mapped Colors" #~ msgstr "Mapirane boje" #~ msgid "Positive" #~ msgstr "Pozitivan" #~ msgid "Negative" #~ msgstr "Negativno" #~ msgid "Show Atoms" #~ msgstr "Prikaži atome" #~ msgid "Animate Trajectory" #~ msgstr "Animiraj putanju" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Petlja" #~ msgid "Save as .avi..." #~ msgstr "Snimi kao .avi..." #~ msgid "Number of atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Broj okretnih atoma:" #~ msgid "Ignore Atom" #~ msgstr "Ignoriši atom" #~ msgid "Fix Atom" #~ msgstr "Popravi atom" #~ msgid "Fix Atom X" #~ msgstr "Popravi atom X" #~ msgid "Fix Atom Y" #~ msgstr "Popravi atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Popravi atom Z" #~ msgid "Torsion angle" #~ msgstr "Ugao torzije" #~ msgid "Save" #~ msgstr "Snimi" #~ msgid "Load" #~ msgstr "Učitaj" #~ msgid "Cartesian" #~ msgstr "Dekartove" #~ msgid "All" #~ msgstr "Sve" #~ msgid "File Import..." #~ msgstr "Unošenje datoteke..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Pokušaj opažanja veza?" #~ msgid "Setup Force Field" #~ msgstr "Postavi polje sile" #~ msgid "Ghemical" #~ msgstr "Ghemijski" #~ msgid "Number of steps" #~ msgstr "Broj koraka" #~ msgid "Algorithm" #~ msgstr "Algoritam" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa helix" #~ msgid "Beta Sheet" #~ msgstr "Beta komad" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Broj ostataka:" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipolni moment (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Napredno" #~ msgid "Grid" #~ msgstr "Mreža" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray izlaz" #~ msgid "Select..." #~ msgstr "Izaberi..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Koristi antialiasing pune scene" #~ msgid "Antialias" #~ msgstr "Umekšavanje" #~ msgid "Set the background color to be transparent" #~ msgstr "Učini pozadinsku boju prozirnom" #~ msgid "Alpha transparency" #~ msgstr "Alfa prozirnost" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Renderiši molekulu direktno koristeći komandnu liniju POV-Zrake" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Zadrži izvor POV-Zrake nakon završetka renderisanja." #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Zadrži izvor POV-Zrake nakon renderisanja." #~ msgid "Path:" #~ msgstr "Staza:" #~ msgid "Compute..." #~ msgstr "Računaj..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EFP Matches" #~ msgstr "EFP poklapanja" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Napredne postavke" #~ msgid "Hessian" #~ msgstr "Hesian" #~ msgid "Stat Point" #~ msgstr "Stat tačka" #~ msgid "System" #~ msgstr "Sistemski" #~ msgid "MO Guess" #~ msgstr "MO pogodak" #~ msgid "Misc" #~ msgstr "Razno" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funkcije polarizacije teških atoma:" #~ msgid "Read" #~ msgstr "Čitaj" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difuzija S-Školjka na teškim atomima" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difuzija L-Školjka na teškim atomima" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Dvostruka Zeta valencija" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Trostruka Zeta valencija" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valencija" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valencija" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Tip:" #~ msgid "Default" #~ msgstr "Podrazumijevano" #~ msgid "Pople" #~ msgstr "Popl" #~ msgid "Pople N311" #~ msgstr "Popl N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funkcije polarizacije teških atoma:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#lagano funkcije polarizacije atoma:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Maksimalne SCF iteracije:" #~ msgid "Gradient" #~ msgstr "Gradijent" #~ msgid "Trudge" #~ msgstr "Gaženje" #~ msgid "Saddle Point" #~ msgstr "Sedlasta tačka" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "extremni gradijent" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiativni tranzitivni mom." #~ msgid "Spin Orbit" #~ msgstr "Orbita spina" #~ msgid "Finite Electric Field" #~ msgstr "Konačno električno polje" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globalna optimizacija" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimizacija" #~ msgid "Raman Intensities" #~ msgstr "Ramanovi intenziteti" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ništa (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Momci" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Tip:" #~ msgid "Localization Method:" #~ msgstr "Metode lokalizacije:" #~ msgid "Exec Type:" #~ msgstr "Exec tip:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. determinanta" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Višestruki aktivni prostor ograničenog zauzimanja" #~ msgid "CI Singles" #~ msgstr "CL Samci" #~ msgid "Full Second Order CI" #~ msgstr "Puni CI drugog reda" #~ msgid "General CI" #~ msgstr "Generalni CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: linarizirani CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC sa dvojkama" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC sa jednorkama i dvojkama" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normalno pokretanje" #~ msgid "Check" #~ msgstr "Provjere" #~ msgid "Debug" #~ msgstr "Praćenje grešaka" #~ msgid "Run Type:" #~ msgstr "Tip pokretanja:" #~ msgid "Use MP2" #~ msgstr "Koristi MP2" #~ msgid "Use DFT" #~ msgstr "Koristi DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Z-Matričnih Varijabli" #~ msgid "Order of Principal Axis:" #~ msgstr "Red glavnih osa:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Jedinstvene kartezijeve koordinate." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrantovi unutarnji" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Koristi simetriju prilikom računanja" #~ msgid "Point Group:" #~ msgstr "Grupa tačke:" #~ msgid "Minutes" #~ msgstr "Minute" #~ msgid "Hours" #~ msgstr "Sati" #~ msgid "Days" #~ msgstr "Dani" #~ msgid "Weeks" #~ msgstr "Sedmica" #~ msgid "Millenia" #~ msgstr "Mileniji" #~ msgid "MegaWords" #~ msgstr "MegaRiječi" #~ msgid "MegaBytes" #~ msgstr "MegaBajti" #~ msgid "GigaWords" #~ msgstr "GigaRiječi" #~ msgid "GigaBytes" #~ msgstr "GigaBajti" #~ msgid "Force Parallel Methods" #~ msgstr "Prisili paralelne metode" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Napravi \"jezgro\" datoteku nakon kraja" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memorija:" #~ msgid "Diagonalization Method:" #~ msgstr "Metoda dijagonalizacije:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tip paralelnog balansa opterećenja" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Petlja" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Sljedeća vrijednost" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Koristiti externu reprezentaciju podatka za poruke" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO pročitano ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO spašeno (DICTNRY)" #~ msgid "Skip" #~ msgstr "Preskoči" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotiraj alfa i beta orbite" #~ msgid "Print the Initial Guess" #~ msgstr "Printaj inicijalne pogodke" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS interfece za druge kodove" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forsiraj tip trčeče provjere" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Verzija)" #~ msgid "Solvate with Water" #~ msgstr "Rastopiti sa vodom" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generiši UHF prirodne orbite" #~ msgid "Direct SCF" #~ msgstr "Direktni SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Računaj samo promjene u prednjoj matrici" #~ msgid "Slater exchange" #~ msgstr "Slaterova zamjena" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 izmjena" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) korelacija" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr korelacija" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater izmjena + VWN korelacija" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE izmjena + VWN5 korelacija" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE izmjena + LYP korelacija" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 izmjena" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) izmjena" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP:Jedno-parametarska progresivna korelacija" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) korelacija" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP korelacija" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE izmjena + OP korelacija" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL izmjena + VWN5 korelacija" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL izmjena + LYP korelacija" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE izmjena + VWN6 korelacija" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE izmjena +LYP korelacija" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE izmjena + OP korelacija" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE izmjena + LYP korelacija" #~ msgid "Grid-Free" #~ msgstr "bez rešetke" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicirano na svakom čvoru" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuirano preko svih čvorova" #~ msgid "words" #~ msgstr "riječi" #~ msgid "Compute MP2 Properties" #~ msgstr "Računaj MP2 postavke" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integralno zadržavajuće zasićenje:" #~ msgid "Use Localized Orbitals" #~ msgstr "Koristi lokalizirane orbite" #~ msgid "# of Core Electrons:" #~ msgstr "# jezgrenih elektrona:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Dvo fazni binarni sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmentirana transformacija" #~ msgid "Numeric" #~ msgstr "Brojevi" #~ msgid "Double Differenced Hessian" #~ msgstr "Dvostruko diferentni Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Štampaj interne konstante sile" #~ msgid "Displacement Size:" #~ msgstr "Istisna veličina:" #~ msgid "Purify Hessian" #~ msgstr "Pročišćeni Hessian" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Inicijalni Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Pogodak(+ definicija)" #~ msgid "Read (from $HESS)" #~ msgstr "Čitati(iz $HESS)" #~ msgid "Update Step Size" #~ msgstr "Osvježi veličinu koraka" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Printaj orbite na svakoj iteraciji" #~ msgid "Stationary Point" #~ msgstr "Stacionarna tačka" #~ msgid "Initial:" #~ msgstr "Inicijalni:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimizacija racionalne funkcije" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratna aproksimacija" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Limitirana optimizacija" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Ponovo izračunaj Hessian svakih:" #~ msgid "Follow Mode:" #~ msgstr "Mod pratnje:" #~ msgid "Basis:" #~ msgstr "Osnove:" #~ msgid "Z-matrix" #~ msgstr "Z-matrica" #~ msgid "Gaussian Input" #~ msgstr "Gaussian ulaz" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Uobičajeno" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "kontrolna tačka:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrica(kompaktna)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO ulaz" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "Kvartet" #~ msgid "Quintet" #~ msgstr "Kvintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem ulaz" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Sjenčenja opterećenja" #~ msgid "Shader Name:" #~ msgstr "Ime osjenčivaća:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex osjenčivać:" #~ msgid "Fragment Shader:" #~ msgstr "Fragmentni osjenčivać:" #~ msgid "Assign Shader" #~ msgstr "Postavi osjenčivać" #~ msgid "Display Type:" #~ msgstr "Tip displeja:" #~ msgid "Change Font..." #~ msgstr "Promijeni font..." #~ msgid "New..." #~ msgstr "Novi..." #~ msgid "Rename..." #~ msgstr "Preimenuj..." #~ msgid "&Schemes:" #~ msgstr "&Sheme:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "Širi&na:" #~ msgid "&Height" #~ msgstr "&Visina" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Koristi optimizovanu vrijednost za veličinu fonta umjesto šematski " #~ "specificirane vrijednosti(ekran za veličinu tačke slike se ne prevodi " #~ "dobro!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto podešavanje Veličine Fonta" #~ msgid "&Gaussian Width:" #~ msgstr "&Gussova širina:" #~ msgid "&Label peaks" #~ msgstr "&Vrhovi labele" #~ msgid "&Y Axis Units:" #~ msgstr "&Y jedinice ose:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gausova &Širina:" #~ msgid "Reset &Plot Axes" #~ msgstr "Resetuj ose &Plot" #~ msgid "Label Peaks:" #~ msgstr "Vrhovi labele:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekularne vibracije" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibracije veće frekvencije će pokazati brže pokrete" #~ msgid "Animation speed set by frequency" #~ msgstr "Brzina animacije postavljena po frekvenciji" #~ msgid "Display force &vectors" #~ msgstr "Prikaži silu &vektora:" #~ msgid "Surface Type:" #~ msgstr "Tip površine" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Niska" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Srednje" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Visoka" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Vrlo visoka" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tip u displeju:" #~ msgid "New Display" #~ msgstr "Novi displej" #~ msgid "Advanced..." #~ msgstr "Napredno..." #~ msgid "Display visual cues" #~ msgstr "Prikaži vizualne redove" #~ msgid "Python Settings" #~ msgstr "Python postavke" #~ msgid "Z Matrix Editor" #~ msgstr "Uređivač Z matrice" OpenChemistry-avogadrolibs-ceb949f/i18n/ca.po000066400000000000000000012536001516317240700212030ustar00rootroot00000000000000# translation of _avogadro-ca.po to Catalan (Valencia) # translation of Avogadro to Catalan (Valencian) # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # Carles Ferrando Garcia , 2009. # Toni Hermoso Pulido , 2009. # victor dargallo , 2023. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: _avogadro-ca\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Catalan \n" "Language: ca\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "El fitxer de referència '%1' no existeix." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Entrada del generador" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continua" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Tanca" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Desconegut" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Heli" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Liti" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beril·li" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carboni" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neó" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodi" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesi" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumini" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silici" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fòsfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sofre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Clor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argó" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassi" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calci" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escandi" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titani" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadi" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Crom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganès" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Coure" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gal·li" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germani" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsènic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Seleni" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Criptó" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidi" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estronci" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itri" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconi" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobi" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdè" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecneci" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruteni" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodi" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Pal·ladi" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmi" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indi" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Estany" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tel·luri" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iode" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenó" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesi" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bari" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantani" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Ceri" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimi" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimi" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometi" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samari" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europi" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolini" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbi" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosi" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmi" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbi" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tuli" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbi" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Luteci" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafni" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tàntal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungstè" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Reni" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmi" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridi" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platí" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Or" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercuri" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tal·li" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plom" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Poloni" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Àstat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radó" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Franci" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radi" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actini" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tori" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protoactini" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urani" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptuni" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutoni" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americi" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curi" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkeli" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californi" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteini" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermi" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevi" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobeli" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurenci" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Ruderfordi" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubni" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgi" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohri" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassi" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitneri" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadi" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgueni" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernici" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihoni" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovi" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovi" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermori" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennes" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganessó" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Navega" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Tots els fitxers" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Títol" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[sense molècula]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Boles i bastons" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Pel·lícula" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Filferro" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 #, fuzzy msgid "Reference Axes" msgstr "Referència Axes" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "sense nom" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Taula periòdica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Afegeix un àtom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Esborra Àtoms" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajusta els hidrògens" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Afegeix un enllaç" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Suprimeix l'enllaç" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Ordre de l'enllaç" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Canvia l'orde de l'enllaç" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Dur als enllaços" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Omple la cel·la unitat" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Arranjament" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fitxer" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Exporta" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Compila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Alinea" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Eix:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinea molècules als eixos cartesians" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Obre el fitxer…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Èxit" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "No es pot desar el fitxer %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Per Color personalitzat…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Per Element" #: qtplugins/applycolors/applycolors.cpp:73 #, fuzzy msgid "By Chain" msgstr "Per Cadenes" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Per Carrega parcial…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "Per l'estructura secundària" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Per Aminoàcids" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Espectre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Visualitza" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Color residu" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimització" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Mètode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Inicia" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Atura" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimitza Geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinàmica molecular" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostra multiples enllaços" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostra hidrògens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulació de l'enllaç central" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulació de l'enllaç central." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Voleu detectar els enllaços" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Enllaç" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Voleu detectar els enllaços." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Esquelet proteïc" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Pel·lícula" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Distància màxima:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Altra…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "&Calcula" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipus" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Àtom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Àtom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Àtom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Àtom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordenades…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor de coordenades" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nom d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Símbol d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Index d'àtoms." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nombre atòmic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "Coordenades X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Coordenades Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Coordenades Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalitzat" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Copia" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Suprimeix" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 #, fuzzy msgid "Copy As" msgstr "Copia com" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Optimització de la geometria" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mecànica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "CAP" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradients conjugats" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Pas descendent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super cel·la…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "&Cristall" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Cristall" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Dibuixa" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Dibuixa l'àtom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distància:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Senzill" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importa" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Importa des de PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Estructura química a descarregar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Temps de connexió sobrepassat o un altre error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molècula especificada no s'ha trobat: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Importa des de PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configura…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Fixa els àtoms seleccionats" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "Energia %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimització del camp de forces" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Energia de punt senzill" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometria d'equilibri" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estat de transició" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Freqüències" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Fes EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencial base" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Cap" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Aigua" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doblet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicatió" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Catió" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutre" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anió" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianió" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Ajusta els hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Afegeix hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrògens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrògens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insereix" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Insereix Molècula…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molècula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristall…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "" "Insereix un fragment molecular per la construcció de molècules llargues." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "color:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Distància de centre:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID únic" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Etiquetes d'àtom:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 #, fuzzy msgid "Residue Label:" msgstr "Etiqueta de residu:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " "panell d'entrada de Lammps ?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacitat:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "No hi ha cap descripció!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipula" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mesura" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedre:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propietats" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fitxers CSV (*.csv);;Tots els fitxers (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "No és pot obrir el fitxer per escriptura." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exporta…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navega" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nom químic" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Configura el camp de força…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Voleu detectar els enllaços" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Afegeix hidrògens per al pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimitza Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "El fitxer trajectòria %1 no concorda amb el nombre d'àtoms de l'actual " "molècula (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Afegeix hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Afegeix hidrògens per al pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Suprimeix hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " "panell d'entrada de OpenMM ?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Estat" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Entrada del generador" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Enllaços dinàmics" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pausa" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exporta el gràfic de mapa de bits" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "fitxers de vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Desa el fitxer" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "València" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Color" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Àtom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Àtom inicial" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Àtom final" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Ordre d'enllaç" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Llargada (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "Cadenes" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Estructura Secundària" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vèrtex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hèlix 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Propietats d'Àtom…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Propietats d'enllaç…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Propietats d'angle…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Propietats de la torsió…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Finestra per mostrar l'àtom, enllaços, angles i propietats de torsió." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propietats" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propietats d'Àtom" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propietats d'enllaç" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propietats d'angle" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propietats de la torsió" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propietats de l'estereoisòmer" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Genera primitives utilitzant propietats QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Obre el fitxer WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fitxers WFN (*.wfn);;Tots els fitxers (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensió QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Seleccionar per element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Selecciona per residu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecciona" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Selecciona residu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Selecciona" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecció" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Omple la cel·la unitat…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Espectre" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infraroig" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "electró" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Densitat dels estats" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Selecciona el color de fons" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Selecciona el color del primer pla" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Selecciona el color de l'espectre calculat" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Selecciona el color de l'espectre importat" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Nombre d'ona (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intensitats" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Desplaçament (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Estil:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitat d'electrons" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Crea Superfície…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Calculant la densitat d'electrons" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Inicia Animació" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Atura Animació" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibració" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 no s'ha executat" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diàleg" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Forma" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Insereix un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtre:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Escriviu un nom o part d'un nom per mostrar només els fitxers coincidents." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insereix" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Camp de força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Èxit!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carrega parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipus:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Afegix" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "D'acord" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formata:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Suprimeix" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reinicia-ho tot" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Paràmetres per defecte" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Desa el fitxer…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuració &bàsica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Títol:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcula:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcions de la super cel·la" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetició A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetició B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetició C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Oculta" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de text" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordre d'enllaç:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Entrada:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitat:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Amb:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Càrrega:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "Nucleic Acids:" msgstr "Àcids nucleics:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Altra" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Senzill" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Àcid aspartic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Àcid glutàmic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tir" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptòfan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Seqüència (N a C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereoquímica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N-terminal" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C-terminal" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Cadena recta" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Cadena número:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "El nombre de cadena per al següent pèptid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metall" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electró" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial hídric" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estil de l'àtom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atòmic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "enllaç" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "càrrega" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "el·lipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "complet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "línia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "mol·lecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paquet d'ones" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Especifiqueu el nom a emprar per al fitxer de coordenades." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fitxer de dades de coordenades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Conjunt" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Seleccioneu el nombre de cadenes Nosé-Hoover del conjunt NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadenes NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Interval de temps de la simulació en unitats segons l'especificació " "Unitats\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Interval de temps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nom del fitxer XYZ a escriure durant la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Bolcat XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) #, fuzzy msgid "Number of dimensions in the system." msgstr "Nombre de dimensions del sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Canvia l'estil del límit Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Canvia l'estil del límit Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Canvia l'estil del límit X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selecciona l'estil del límit en les direccions X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Límit" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Nombre de replicants en les direccions X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replica la direcció X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replica la direcció Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replica la direcció Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Nombre total d'intervals de temps per executar la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total d'intervals" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Estableix les velocitats inicials dels àtoms per a la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocitats inicials" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) #, fuzzy msgid "Select the distribution of initial atom velocities." msgstr "Seleccioneu la distribució de les velocitats inicials dels àtoms." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussiana" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Estableix les velocitats inicials dels àtoms per fer-les coincidir amb " "aquesta temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Elimina de les velocitats inicials el moment lineal del sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Moment lineal zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Elimina de les velocitats inicials el moment angular del sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Moment angular zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controla la sortida termodinàmica durant la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval de sortida" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estil de la sortida termodinàmica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Una línia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multilínia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilitza la forma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Tradueix per:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origen" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Eix X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eix Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eix Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Cerca d'estereoisòmers" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Mètode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Nombre d'estereoisòmers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Cerca sistemàtica de rotors" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Cerca de rotors aleatòria" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Cerca de rotors depenent de la massa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Pas descendent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Camp de força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referència" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Senzill" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restriccions:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energía total" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Longitud d'ona:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radi del punt crític:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radi del camí de l'enllaç:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Mida constant" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Factor d'escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparença" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectre importat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Visualitza" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importa un tsv del espectre experimental per sobreescriure en la funció." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fons:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Espectres calculats:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exporta dades" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Tanca" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Clic doble esquerra: Restaura els límits dels eixos per defecte\n" "Clic dret + arrossega: Mou la funció\n" "Botó del mig + arrossega: Amplia la regió\n" "Desplaçament de la roda: Amplia el cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualitat: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baix" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mitjà" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molt alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crea Superfície" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Color de:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Potencial electrostàtic" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolució:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor de la isosuperfície :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Llum" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcula" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molècula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Toni Hermoso Pulido,carles ferrando,el_libre " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Geoff Hutchison,Toni " "Hermoso Pulido,carles ferrando,el_libre " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro " "Team, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,el_libre " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,carles ferrando,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,carles ferrando,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro " "Team,Carles,David Planella,Geoff Hutchison,Marc Coll Carrillo,el_libre - " "http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad " "Contributions:,Avogadro Team,Carles,David Planella,Geoff Hutchison,Marc Coll " "Carrillo,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro " "Team,Carles,David Planella,Geoff Hutchison,Marc Coll Carrillo,el_libre - " "http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,toniher@softcatala.cat,,el.libre@gmail.com,,,,toniher@softcatala.cat,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,david.planella@ubuntu.com,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,david.planella@ubuntu.com,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,david.planella@ubuntu.com,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,david.planella@ubuntu.com,,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,david.planella@ubuntu.com,,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,david.planella@ubuntu.com,,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,david.planella@ubuntu.com,,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,david.planella@gmail.com,,,el.libre@gmail.com" #, fuzzy #~ msgid "Angles:" #~ msgstr "Angle:" #, fuzzy #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Cancel·la" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pendent)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Finestra per mostrar l'àtom, enllaços, angles i propietats de torsió." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analític" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importa..." #~ msgid "Set Color..." #~ msgstr "Estableix el color..." #~ msgid "&Export..." #~ msgstr "&Exporta..." #~ msgid "&Load data..." #~ msgstr "Carrega &dades..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Carrega parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animació" #~ msgid "Geometry" #~ msgstr "Geometria" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Omple la cel·la unitat" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distància" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copia-ho tot" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nom de la molècula IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa molecular (g/mol)" #~ msgid "Chemical Formula:" #~ msgstr "Formula química:" #~ msgid "Number of Atoms:" #~ msgstr "Número d'àtoms:" #~ msgid "Number of Bonds:" #~ msgstr "Número d'enllaços:" #~ msgid "TODO" #~ msgstr "PER FER" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Mida del salt:" #, fuzzy #~ msgid "In." #~ msgstr "Entrada:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Funció DFT:" #~ msgid "Other..." #~ msgstr "Altre..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fitxer:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrcutura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navega" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navega" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nom d'element" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Tots els fitxers" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboèdric" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molècula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No està configurada la molècula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristall..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Afegeix hidrògens per al pH..." #~ msgid "Atom Properties..." #~ msgstr "Propietats dels àtoms..." #~ msgid "Bond Properties..." #~ msgstr "Propietats dels enllaços..." #~ msgid "Angle Properties..." #~ msgstr "Propietats d'Angle" #~ msgid "Torsion Properties..." #~ msgstr "Propietats de torsió…" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propietats de la molècula..." #~ msgid "Create Surfaces..." #~ msgstr "Crea superfícies..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetria" #~ msgid "Insert Fragment..." #~ msgstr "Insereix un fragment…" #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distància (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Angular" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Estereoisòmer %1\n" #~ "Longitud %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Estereoisòmer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Estereoisòmer %1\n" #~ "Torsió %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsió %1" #~ msgid "Torsion" #~ msgstr "Torsió" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sí" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Importa" #~ msgid "Insert SMILES" #~ msgstr "Insereix SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insereix un fragment SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Insereix cristall" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insereix un fragment molecular per la construcció de molècules llargues" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimitza Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimització geomètrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Afegeix hidrògens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Atura" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Color per índex" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Color per índex (vermell, taronja, groc, verd, blau, violeta)" #~ msgid "Color by Partial Charge" #~ msgstr "Color per càrrega parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Color per càrrega parcial atòmica (blau = positiva, vermell = negativa)" #~ msgid "Custom Color:" #~ msgstr "Color personalitzat:" #~ msgid "Set custom colors for objects" #~ msgstr "Tria els colors personalitzats per als objectes" #~ msgid "Color by Distance" #~ msgstr "Color per distància" #~ msgid "Color by distance from the first atom." #~ msgstr "Color per distància des del primer àtom." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Color per element (carboni = gris , oxigen = vermell, … )." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Color per residu (tipus d'aminoàcid, hidrofobicitat, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Patró SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Color ressaltat:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Color del patró SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Color ressaltat de les característiques particulars amb concordança amb " #~ "el patró SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtri" #~ msgid "Ununpentium" #~ msgstr "Ununpenti" #~ msgid "Ununseptium" #~ msgstr "Ununsepti" #~ msgid "Ununoctium" #~ msgstr "Ununocti" #~ msgid "Engines" #~ msgstr "Motors" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Representa les primitives utilitzant boles (àtoms) i bastons (enllaços)" #~ msgid "Dipole" #~ msgstr "Dipol" #~ msgid "Hydrogen Bond" #~ msgstr "Enllaç d'hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Representa els enllaços d'hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecciona les etiquetes de color dels àtoms" #~ msgid "Select Bond Labels Color" #~ msgstr "Selecciona les etiquetes de color dels enllaços" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecciona les etiquetes de la font dels enllaços" #~ msgid "Polygon" #~ msgstr "Polígon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Representa àtoms com tetraedres, octaedres i altres polígons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Representa esquelet proteic com cintes" #~ msgid "Ring" #~ msgstr "Anell" #~ msgid "Renders rings with colored planes" #~ msgstr "Representa anells amb plans colorejats" #~ msgid "Simple Wireframe" #~ msgstr "Filferro senzill" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Representa els enllaços com línies, ideal per molècules llargues." #~ msgid "Van der Waals Spheres" #~ msgstr "Esferes de Van der Waals" #~ msgid "Stick" #~ msgstr "Bastons" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densitat electrònica, isosuperfície= %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperfície = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Representa enllaços com línies (simplificades), ideal per biomolècules " #~ "molt grans" #~ msgid "Trajectory files" #~ msgstr "Fitxers de trajectoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fitxers DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Obre fitxer de trajectòria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Afegeix l'extensió .avi" #~ msgid "Animation..." #~ msgstr "Animació…" #~ msgid "Cannot read file format of file %1." #~ msgstr "No es pot llegir el format del fitxer %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "S'ha produït un error en llegir el fitxer %1 de trajectòria." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Cal especificar un nom .avi vàlid" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "El giny GL no s'ha inicialitzat de forma correcta per a desar el vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet i el nom, acabat en .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "No es pot determinar el format del fitxer de nom: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima trajectòries, reaccions i vibracions." #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesià" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No hi ha cel·la unitària definida per la molècula -- no es poden " #~ "utilitzar coordinades fraccionaries." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesià..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesià" #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'àtoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Nombre d'enllaços angulars: %1" #~ msgid "Add constraint" #~ msgstr "Afigeix una restricció" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys un àtom per a afegir-hi una " #~ "restricció" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys dos àtoms per a afegir-hi una " #~ "restricció d'enllaç" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys tres àtoms per a afegir-hi " #~ "una restricció angular" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys quatre àtoms per a afegir-hi " #~ "una restricció de torsió" #~ msgid "&Crystallography" #~ msgstr "Cristal·lografia" #~ msgid "&Length Unit" #~ msgstr "Unitat de &longitud" #~ msgid "&Angle Unit" #~ msgstr "Unitat d'&angle" #~ msgid "Show &Editors" #~ msgstr "Mostra els &editors" #~ msgid "Undefined" #~ msgstr "no definit" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortoròmbic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbic" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanòmetre" #~ msgid "&Picometer" #~ msgstr "&Picòmetre" #~ msgid "&Degree" #~ msgstr "&Grau" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Crystallography" #~ msgstr "Cristal·lografia" #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenades cartesianes" #~ msgid "Working..." #~ msgstr "S'està treballant..." #~ msgid "Build" #~ msgstr "Construeix" #~ msgid "Please select one or more atoms." #~ msgstr "Si us plau, seleccioneu un o més àtoms" #~ msgid "Trajectory..." #~ msgstr "Trajectòria..." #~ msgid "Open chemical file format" #~ msgstr "Obre un format de fitxer químic" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fitxers químics (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Obre un fitxer de paràmetres" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fitxers químics (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importa una trajectòria" #~ msgid "Import trajectory files" #~ msgstr "Importa fitxers de trajectòria" #~ msgid "Calculate Energy" #~ msgstr "Calcula l'energia" #~ msgid "Conformer Search..." #~ msgstr "Cerca d'estereoisòmers..." #~ msgid "Constraints..." #~ msgstr "Restriccions..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "No es pot establir el camp de forces per aquesta molècula. Canviant a UFF" #~ msgid "Geometric Optimization" #~ msgstr "Optimització geomètrica" #~ msgid "Systematic Rotor Search" #~ msgstr "Cerca sistemàtica del gir" #~ msgid "Random Rotor Search" #~ msgstr "Cerca aleatòria del gir" #~ msgid "Weighted Rotor Search" #~ msgstr "Cerca promediada del gir" #~ msgid "ForceField" #~ msgstr "Camp de forces" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimitza molècules i genera estereoisòmers utilitzant camps de força de " #~ "mecànica molecular" #~ msgid "&Vector Graphics..." #~ msgstr "&Gràfic vectorial..." #~ msgid "Common vector image formats" #~ msgstr "Formats comuns d'imatges vectorials" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Canvia d'H a metil" #~ msgid "H to Methyl" #~ msgstr "H a metil" #~ msgid "H2Methyl" #~ msgstr "H2metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transforma hidrògens en grups metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Afegeix o suprimeix hidrògens" #~ msgid "Peptide..." #~ msgstr "Pèptid" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insereix un seqüència d'oligopeptids" #~ msgid "Invert Chirality" #~ msgstr "Quiralitat invertida" #~ msgid "InvertChiral" #~ msgstr "Inversióquiral" #~ msgid "Invert chiral centers" #~ msgstr "Centres d'inversió quiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconegut" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Moment dipolar estimat (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "Importa per nom químic" #~ msgid "Fetch from URL..." #~ msgstr "Importa des de URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB (base de dades de proteïnes)" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descarregar." #~ msgid "URL" #~ msgstr "Adreça URL" #~ msgid "URL of molecule to download." #~ msgstr "Adreça URL de la molècula a descarregar." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molècula especificada no s'ha carregat: %1" #~ msgid "Network Fetch" #~ msgstr "Importa la xarxa" #~ msgid "Fetch molecule files over the network." #~ msgstr "Posa els fitxers molecular sobre la xarxa." #~ msgid "Show Preview" #~ msgstr "Mostra la previsualització" #~ msgid "Hide Preview" #~ msgstr "Amaga la previsualització" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Desa la imatge de POV-Ray generada" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fitxers d'imatge (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No s'ha proporcionat cap nom de fitxer vàlid." #~ msgid "Does not compute." #~ msgstr "No concorda." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "No heu demanat cap generació POV-Ray i no podeu utilitzar cap fitxer POV-" #~ "Ray. Així no podreu desar cap resultat. Esteu segur que això és el que " #~ "voleu ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "No es pot escriure al fitxer %1. Esteu segurs de tindre permís " #~ "d'escriptura en aquest lloc?" #~ msgid "POV-Ray failed to start." #~ msgstr "S'ha produït un error en iniciar el POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "S'ha produït un error en iniciar el POV-Ray. Tal vegada podríeu comprovar " #~ "el camí a l'executable." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea fitxers POV-Ray i representa'ls utilitzant el programa d'ordres POV-" #~ "Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propietats de l'estereoisòmer..." #~ msgid "Python Terminal" #~ msgstr "Terminal de python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiu de guions de python" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Avís del generador de fitxers d'entrada Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell de visualització de fitxers d'entrada dalton ?" #~ msgid "QM Matches" #~ msgstr "Concordances QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selecció EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selecció QM..." #~ msgid "You must make a selection!" #~ msgstr "Cal que feu una selecció" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "La conversió SMILES no és disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "El format de conversió SMILES no és disponible !" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crea fitxers d'entrada per al paquet químic quàntic GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "La configuració avançada ha canviat" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "La configuració avançada ha canviat. \n" #~ "Voleu descartar-ne els canvis ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reinicialització de la configuració avançada" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració ? \n" #~ "Tots els canvis es perdran!" #~ msgid "Basic Settings Reset" #~ msgstr "Reinicialització de la configuració bàsica" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració bàsica? \n" #~ "Tot els canvis es perdran!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada GAMESS-UK ?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Entrada GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada Gaussiana" #~ msgid "Gaussian Input Deck" #~ msgstr "Entrada Gaussiana" #~ msgid "Gaussian Running." #~ msgstr "Execució Gaussiana" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "La Gaussiana s'està executant. Espereu fins que els càlculs previs hagin " #~ "finalitzat." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussià no instal·lat" #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'executable G03 no s'ha trobat." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "G03 no s'ha iniciat. Tal vegada no s'ha instal·lat de forma correcta." #~ msgid "Running Gaussian calculation..." #~ msgstr "Executant càlcul Gaussià..." #~ msgid "G03 Crashed." #~ msgstr "G03 Trencat." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "La Gaussiana no s'ha executat bé. Tal vegada no s'ha instal·lat de forma " #~ "correcta." #~ msgid "&Abinit..." #~ msgstr "&ABINIT..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussià..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Entrada Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avís d'entrada MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Entrada MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Executant MOPAC" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC està executant-se. Espereu fins que els càlculs hagin acabat." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC no instal·lat" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "L'executable MOPAC, no és pot trobar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC no s'ha iniciat. Tal vegada no està correctament instal·lat" #~ msgid "Running MOPAC calculation..." #~ msgstr "Executant el càlcul MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC s'ha trencat." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC no s'executa correctament. Tal vegada no està correctament " #~ "instal·lat" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada NWChem ?" #~ msgid "NWChem Input Deck" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrades Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada de Q-Chem ?" #~ msgid "QChem Input Deck" #~ msgstr "Entrada QChem" #~ msgid "Select SMARTS..." #~ msgstr "Selecciona SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Afegeix una selecció per nom..." #~ msgid "SMARTS Selection" #~ msgstr "Selecció SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Patró SMART a seleccionar" #~ msgid "There is no current selection." #~ msgstr "Ni hi ha cap selecció actual." #~ msgid "Add Named Selection" #~ msgstr "Afegeix una selecció per nom" #~ msgid "Name cannot be empty." #~ msgstr "El nom no pot estar buit." #~ msgid "There is already a selection with this name." #~ msgstr "Ja hi ha una selecció amb aquest nom." #~ msgid "Selections" #~ msgstr "Seleccions." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecciona àtoms, enllaços, residus..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Obre un fitxer font de vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fitxers de vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Obre un fitxer font de fragment shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fitxers de fragment shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Obre un fitxer de paràmetres shader" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fitxers de paràmetres shader (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carrega i utilitza OpenGL 2.0 GLSL shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitat (unitats arbitraries)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densitat dels estats (estat/cel.la)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densitat dels estats (estat/àtom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densitat dels estats (estat/electró de valència)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitància (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbància (%)" #~ msgid "No intensities" #~ msgstr "Cap intensitat" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "La dada de vibració per la molècula que heu carregat no conté cap " #~ "intensitat. Les intensitats s'han establert a un valor arbitrari per la " #~ "seva visualització." #~ msgid "Activity" #~ msgstr "Activitat" #~ msgid "X Axis" #~ msgstr "Eix X" #~ msgid "Y Axis" #~ msgstr "Eix Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Paràmetres de l'espectre &infraroig" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Paràmetres espectre RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Densitats dels estats" #~ msgid "&UV Settings" #~ msgstr "Paràmetres &UV" #~ msgid "&CD Settings" #~ msgstr "Paràmetres &CD" #~ msgid "&Raman Settings" #~ msgstr "Paràmetres &Raman" #~ msgid "No data" #~ msgstr "Sense dades" #~ msgid "Dark" #~ msgstr "Fosc" #~ msgid "Publication" #~ msgstr "Publicació" #~ msgid "Handdrawn" #~ msgstr "Dibuix a ma" #~ msgid "New Scheme" #~ msgstr "Nou esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirma eliminació d'esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Vols esborrar l'esquema actual?" #~ msgid "Change Scheme Name" #~ msgstr "Canvia Nom d'esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Escriu nou nom per a l'esquema actual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valors separats per tabulador (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valors separats per tabulador" #~ msgid "Comma Separated Values" #~ msgstr "Valors separats per coma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Espectre importat" #~ msgid "Unknown extension: %1" #~ msgstr "Extensió desconeguda: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Dada IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Dada IR turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Dada UV turbomole (espectre)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Dada CD turbomole (espectre cd)" #~ msgid "Data Format" #~ msgstr "Format de dada" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Carrega les dades espectrals" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "El fitxer turbomole CD s'ha formatat de forma incorrecta: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Mapa de bits de Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap portable" #~ msgid "X11 Bitmap" #~ msgstr "Bitmap X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmap X11" #~ msgid "Save Spectra Image" #~ msgstr "Desa la imatge de l'espectre" #~ msgid "Image successfully written to %1" #~ msgstr "Imatge gravada amb èxit al %1" #~ msgid "&Advanced <<" #~ msgstr "&Avançat <<" #~ msgid "&Advanced >>" #~ msgstr "&Avançat >>" #~ msgid "&Spectra..." #~ msgstr "&Espectre..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualitza les dades espectrals dels càlculs químics quàntics" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Anàlisis vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "No existeixen dislocaments vibracionals." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Mostra els modes vibracionals per als càlculs químics quàntics" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sortida %1 vibracions per freqüència..." #~ msgid "Super Cell Builder..." #~ msgstr "Constructor de super cel·les ..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Aquest document és d'una molècula aïllada. Necessiteu crear una cel·la " #~ "unitat." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Construeix i visualitza super cel·les cristal·logràfiques" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitals moleculars..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Res" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densitat electrònica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipus no definit" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculant el cub VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculant MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Les superfícies de potencial electrostàtic encara no estan implementades." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcula orbitals moleculars i altres superfícies" #~ msgid "&Nanotube Builder..." #~ msgstr "Constructor de &nanotubs..." #~ msgid "Nanotube Builder" #~ msgstr "Constructor de nanotubs" #~ msgid "Building..." #~ msgstr "S'està construint..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "El estri GL no està correctament inicialitzat per enregistrar un vídeo" #~ msgid "GL widget has no molecule" #~ msgstr "El estri GL no té cap molècula" #~ msgid "Building video " #~ msgstr "Codificant vídeo " #~ msgid "Could not run mencoder." #~ msgstr "No funciona mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Configura la relació d'aspecte" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "L'actual escena d'Avogadro té %1x%2 pixels d'ample i tanmateix té relació " #~ "d'aspecte %3.\n" #~ "Podeu utilitzar aquest valor, per exemple per utilitzar POV-Ray per " #~ "produir una imatge de %4x1000 pixels , o podeu entrar un altre valor " #~ "positiu, \n" #~ "per exemple 1 si voleu utilitzar POV-Ray per produir una imatge quadrada " #~ "de d'aproximadament 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Connecta" #~ msgid "Disconnect" #~ msgstr "Desconnecta" #~ msgid "&WiiTrack" #~ msgstr "Pista&Wii" #~ msgid "Wii Tracking" #~ msgstr "Seguiment Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Moviment de tracció utilitzant Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexte OpenGL no vàlid. \n" #~ "Alguna cosa està completament trencada en la configuració OpenGL (podeu " #~ "executar alguna altre aplicació ?), o heu trobat un bug." #~ msgid "Debug Information" #~ msgstr "Informació desenvolupament" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Visualitza mida: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Àtoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "El tipus de fitxer «%1» no té suportada la lectura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada la lectura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "La lectura de la molècula amb índex %1 des del fitxer «%2» ha tingut " #~ "errades." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Substitució de la molècula: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "El tipus de fitxer «%1» no suporta l'escriptura." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada l'escriptura." #~ msgid "Could not open file '%1' for reading." #~ msgstr "No és pot obrir el fitxer «%1» per lectura." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "La substitució de la molècula amb índex %1 al fitxer «%2» ha tingut " #~ "problemes." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "No es pot obrir el fitxer %1 per lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "El desat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "El desat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "nou." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "El desat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "antic." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Ha fallat escriure una molècula al fitxer «%1». La funció OpenBabel ha " #~ "fallat." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Ha fallat l'escriptura dels estereoisòmers al fitxer «%1»." #~ msgid "Molecule %1" #~ msgstr "Molècula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Giny de python desconegut" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: comprobació " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - el guió no té cap 'Engine' class definit" #~ msgid " - no module" #~ msgstr " - no mòdul" #~ msgid "Unknown Python Extension" #~ msgstr "Extensió Python desconeguda" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: comprovant " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - el script no té cap 'Extension' class definit" #~ msgid "Unknown Python Tool" #~ msgstr "Eina de Python desconeguda" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: comprovant " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - el script no té cap 'Tool' class definida" #~ msgid "Conformer %1" #~ msgstr "Estereoisòmer %1" #~ msgid "Tools" #~ msgstr "Eines" #~ msgid "Align:" #~ msgstr "Alinea:" #~ msgid "Everything" #~ msgstr "Tot" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: No es pot configurar el camp de forces..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Nombre de restriccions: %1" #~ msgid "Steps per Update:" #~ msgstr "Passes per actualizar:" #~ msgid "Algorithm:" #~ msgstr "Algorisme:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinàmica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinàmica molecular (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Els àtoms fixats es poden moure" #~ msgid "Ignored atoms are movable" #~ msgstr "Els àtoms ignorats es poden moure" #~ msgid "AutoOpt Molecule" #~ msgstr "Molècula optimitzada automàticament" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimització automàtica de la geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuració d'Autooptimització" #~ msgid "Auto Rotation Tool" #~ msgstr "Eina d'autogir" #~ msgid "x rotation:" #~ msgstr "rotació x:" #~ msgid "x rotation" #~ msgstr "rotació x" #~ msgid "y rotation:" #~ msgstr "rotació y:" #~ msgid "y rotation" #~ msgstr "rotació y" #~ msgid "z rotation:" #~ msgstr "rotació z:" #~ msgid "z rotation" #~ msgstr "rotació z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotació automàtica de molècules" #~ msgid "AutoRotate Settings" #~ msgstr "Configuració d'Autorotació" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longitud de l'enllaç: %L1" #~ msgid " Show Angles" #~ msgstr " Visualitza Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Dur a la vora: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipula l'enllaç central" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulació de longituds d'enllaç, angles, i torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Configuració de la manipulació de l'enllaç central" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distància (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distància (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdric: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distància(es):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mesura de longituds d'enllaç, angles i diedres" #~ msgid "Draw Bond" #~ msgstr "Dibuixa l'enllaç" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dibuixa i edita àtoms i enllaços" #~ msgid "Draw Settings" #~ msgstr "Configuració de Dibuix" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Trasllada , rota, i ajusta àtoms i fragments" #~ msgid "Manipulate Settings" #~ msgstr "Configuració de manipulació" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasllada, rota i amplia al voltat de la vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuració de navegació" #~ msgid "Selection Mode:" #~ msgstr "Mode selecció:" #~ msgid "Atom/Bond" #~ msgstr "Àtom/Enllaç" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Change color of the atom" #~ msgstr "Canvia el color de l'àtom" #~ msgid "Change label of the atom" #~ msgstr "Canvia l'etiqueta de l'àtom" #~ msgid "Change label of the bond" #~ msgstr "Canvia l'etiqueta de l'enllaç" #~ msgid "Change radius of the atom" #~ msgstr "Canvia el radi de l'àtom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nou radi, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecciona àtoms, residus i molècules" #~ msgid "Symbol" #~ msgstr "Símbol" #~ msgid "Bond Length" #~ msgstr "Longitud de l'enllaç" #~ msgid "Dihedral Angle" #~ msgstr "Angle dièdric" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor de Matriu Z ..." #~ msgid "Z-Matrix" #~ msgstr "Matriu Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crea/edita una matriu z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configuració de Matriu Z" #~ msgid "Color residues by:" #~ msgstr "Residu de color de:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicitat" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos cartesians" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos ortogonals" #~ msgid "Axis 1:" #~ msgstr "Eix 1:" #~ msgid "Axis 2:" #~ msgstr "Eix 2:" #~ msgid "Axis 3:" #~ msgstr "Eix 3:" #~ msgid "Origin:" #~ msgstr "Origen:" #~ msgid "Norm" #~ msgstr "Normal" #~ msgid "Preserve vector norms" #~ msgstr "Preserva el vectors normals" #~ msgid "Atom Radius:" #~ msgstr "Radi de l'àtom:" #~ msgid "Bond Radius:" #~ msgstr "Radi de l'enllaç:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Vector personalitzat" #~ msgid "Custom:" #~ msgstr "Personalitzat:" #~ msgid "Cut-off radius:" #~ msgstr "Radi de tall:" #~ msgid "Cut-off angle:" #~ msgstr "Angle de tall:" #~ msgid "Rendering Engine:" #~ msgstr "Giny de dibuix:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Símbol i nombre del grup" #~ msgid "Symbol & Atom number" #~ msgstr "Símbol i nombre atòmic" #~ msgid "Residue number" #~ msgstr "Nombre de residu" #~ msgid "Custom data" #~ msgstr "Dada" #~ msgid "Change Font" #~ msgstr "Canvia la font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Etiqueta a canviar:" #~ msgid "Bond length" #~ msgstr "Longitud d'enllaç" #~ msgid "Bond number" #~ msgstr "Nombre d'enllaç" #~ msgid "Bond order" #~ msgstr "Ordre d'enllaç" #~ msgid "Lines" #~ msgstr "Línies" #~ msgid "Radius:" #~ msgstr "Radi:" #~ msgid "Include Nitrogens" #~ msgstr "Inclou els nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "Opacitat de VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Representa:" #~ msgid "Fill" #~ msgstr "Omple" #~ msgid "Points" #~ msgstr "Punts" #~ msgid "Draw Box:" #~ msgstr "Caixa de dibuix:" #~ msgid "Mapped Colors" #~ msgstr "Colors dibuixats" #~ msgid "Positive" #~ msgstr "Positiu" #~ msgid "Negative" #~ msgstr "Negatiu" #~ msgid "Show Atoms" #~ msgstr "Mostra els àtoms" #~ msgid "Animate Trajectory" #~ msgstr "Anima la trajectoa" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Save as .avi..." #~ msgstr "Anomena i desa com a .avi…" #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, sols coordenades" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrada priroda" #~ msgid "Apply Changes" #~ msgstr "Aplica els canvis" #~ msgid "Cut All" #~ msgstr "Talla-ho tot" #~ msgid "Paste to the End" #~ msgstr "Enganxa fins el final" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Enganxa o edita les " #~ "coordinades atòmiques aquí. Podeu enganxar quasi qualsevol fragment de " #~ "text contenint coordinades.

" #~ msgid "(None)" #~ msgstr "(cap)" #~ msgid "Sort by " #~ msgstr "ordenat per " #~ msgid "Number of atoms:" #~ msgstr "Nombre d'àtoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Nombre de enllaços angulars:" #~ msgid "Ignore Atom" #~ msgstr "Ignora l'àtom" #~ msgid "Fix Atom" #~ msgstr "Fixa l'àtom" #~ msgid "Fix Atom X" #~ msgstr "Fixa l'àtom X" #~ msgid "Fix Atom Y" #~ msgstr "Fixa l'àtom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixa l'àtom Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsió" #~ msgid "Save" #~ msgstr "Desa" #~ msgid "Load" #~ msgstr "Carrega" #~ msgid "Cartesian" #~ msgstr "Cartesià" #~ msgid "All" #~ msgstr "Tots" #~ msgid "File Import..." #~ msgstr "Importa el fitxer..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Voleu Intentar detectar els enllaços?" #~ msgid "Setup Force Field" #~ msgstr "Configura el camp de forces" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre de passos" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Hèlix alfa" #~ msgid "Beta Sheet" #~ msgstr "Làmina beta" #~ msgid "Pi Helix" #~ msgstr "Hèlix Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residus:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (KJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançat" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Graella" #~ msgid "POV-Ray Export" #~ msgstr "Exporta a POV-Ray" #~ msgid "Select..." #~ msgstr "Selecciona..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Utilitza l'antialisat a tota l'escena" #~ msgid "Antialias" #~ msgstr "Antiàlies" #~ msgid "Set the background color to be transparent" #~ msgstr "Posa el color de fons transparent" #~ msgid "Alpha transparency" #~ msgstr "Transparència alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Representa la molècula directament utilitzant la ordre POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "" #~ "Conserva el codi font de POV-Ray després que la representació s'hagi " #~ "completat" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conserva el codi font de POV-Ray després de la representació" #~ msgid "Path:" #~ msgstr "Camí:" #~ msgid "Abinit Input" #~ msgstr "Entrada ABINIT" #~ msgid "10.0" #~ msgstr "10,0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesià (Àngstrom)" #~ msgid "Reduced" #~ msgstr "Reduït" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Límit d'ona plana (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerància de les forces (Ha/bohr):" #~ msgid "1.05" #~ msgstr "1,05" #~ msgid "k-point shift:" #~ msgstr "Desplaçament del punt k:" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Number of bands:" #~ msgstr "Nombre de bandes:" #~ msgid "# k-point shifts:" #~ msgstr "# desplaçaments del punt k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Límit de la doble graella PW (Ha):" #~ msgid "20.0" #~ msgstr "20,0" #~ msgid "Occupation scheme:" #~ msgstr "Esquema d'ocupació" #~ msgid "Total Potential" #~ msgstr "Potencial total" #~ msgid "Relative Force" #~ msgstr "Força relativa" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconductiva" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "0.01" #~ msgstr "0,01" #~ msgid "0 - no moving ions " #~ msgstr "0 - sense ions en moviment " #~ msgid "1 - viscous damping" #~ msgstr "1 - amortiment viscós" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS amb energia" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Suavitzat de l'energia cinètica (Ha):" #~ msgid "0.5" #~ msgstr "0,5" #~ msgid "Compute..." #~ msgstr "Calcula..." #~ msgid "Dalton Input" #~ msgstr "Entrada dalton" #~ msgid "Basics" #~ msgstr "Bàsics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Afegeix el que teclegis a la línia de títol del fitxer d'entrada \n" #~ "per a propòsits informatius" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estil de pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarització consistent de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Correlació consistent de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funcions de correlació de la base" #~ msgid "Diffuse functions" #~ msgstr "Funcions difuses" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directe" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Executa en paral·lel sempre que sigui possible. Això sols és possible " #~ "per \n" #~ "funcions SCF i càlculs DFT. Dalton sols suporta MPI a la versió actual i " #~ "cal\n" #~ "compilar-lo i instal·lar-lo de forma correcta. El nombre de nodes estan " #~ "establerts utilitzant \n" #~ "la opció \"-N #\" quan s'executa el script «dalton»." #~ msgid "Parallel" #~ msgstr "Paral·lel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Especificació de xarxa:" #~ msgid "Partitioning Scheme:" #~ msgstr "Esquema de particionat:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Qualitat de la xarxa:" #~ msgid "coarse" #~ msgstr "grosa" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fina" #~ msgid "ultrafine" #~ msgstr "ultrafina" #~ msgid "Radial Scheme:" #~ msgstr "Esquema radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostra totes les funcions" #~ msgid "Property:" #~ msgstr "Característica:" #~ msgid "Polarizability" #~ msgstr "Polaritzabilitat" #~ msgid "Frequency Dependent" #~ msgstr "Freqüència dependent" #~ msgid "No. excitations:" #~ msgstr "Nombre excitacions:" #~ msgid "EFP Matches" #~ msgstr "Resultats EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta de grup:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuració &avançada" #~ msgid "Hessian" #~ msgstr "Hessià" #~ msgid "Stat Point" #~ msgstr "Punt d'estat" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Conjectura MO" #~ msgid "Misc" #~ msgstr "Miscel·lània" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització D del àtoms pesants :" #~ msgid "Read" #~ msgstr "Llegeix" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difusió capa S als àtoms pesants" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difusió capa L als àtoms pesants" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Doble valència zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple valència zeta" #~ msgid "SBKJA Valence" #~ msgstr "València SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "València Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipus ECP" #~ msgid "Default" #~ msgstr "Per defecte" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització F dels àtoms pesants:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funcions de polarització dels àtoms lleugers:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iteracions Max SCF:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Punt Saddle" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient extrem" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transició radiactiva mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbita" #~ msgid "Finite Electric Field" #~ msgstr "Camp elèctric finit" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimització global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimització FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Cap (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipus SCF:" #~ msgid "Localization Method:" #~ msgstr "Mètode de localització:" #~ msgid "Exec Type:" #~ msgstr "Tipus Exec:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinant Lab. Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espai actiu múltiple restrictiu de la ocupació" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Cl ple de segon ordre" #~ msgid "General CI" #~ msgstr "Cl general" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearitzat CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC amb dobles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC amb simples i dobles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execució normal" #~ msgid "Check" #~ msgstr "Comprova" #~ msgid "Debug" #~ msgstr "Depura" #~ msgid "Molecule Charge:" #~ msgstr "Carrega molecular:" #~ msgid "Run Type:" #~ msgstr "Executa el tipus:" #~ msgid "Use MP2" #~ msgstr "Utilitza MP2" #~ msgid "Use DFT" #~ msgstr "Utilitza DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# de les variables de la matriu Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordre dels eixos principals:" #~ msgid "Coordinate Type:" #~ msgstr "Tipus de coordenada:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenades cartesianes úniques" #~ msgid "Hilderbrant internals" #~ msgstr "interiors de Hilderbrant" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Utilitza simetria durant el càlcul" #~ msgid "Point Group:" #~ msgstr "Grup del punt:" #~ msgid "Minutes" #~ msgstr "Minuts" #~ msgid "Hours" #~ msgstr "Hores" #~ msgid "Days" #~ msgstr "Dies" #~ msgid "Weeks" #~ msgstr "Setmanes" #~ msgid "Years" #~ msgstr "Anys" #~ msgid "Millenia" #~ msgstr "Mil·lennis" #~ msgid "MegaWords" #~ msgstr "Mega paraules" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "Giga paraules" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Mètodes de força paral·lela" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producte «core» fitxer sobre la interrupció" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memòria:" #~ msgid "Diagonalization Method:" #~ msgstr "Mètode de diagonalització:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipus del balanç de càrrega paral·lel" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Següent valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Utilitzeu dades externes per representar el missatges" #~ msgid "Initial Guess:" #~ msgstr "Conjectura inicial:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO llegit ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO desat (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omet" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Gira els orbitals alfa i beta" #~ msgid "Print the Initial Guess" #~ msgstr "Imprimeix la conjectura inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfície GAMESS per als altres codis" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Força el funcionament a prova" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versió UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussià 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvata amb aigua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genera els orbitals naturals UHF" #~ msgid "Direct SCF" #~ msgstr "SCF directe" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "El càlcul sols ha canviat la matriu de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercanvi Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercanvi Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlació Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlació Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Intercanvi Slater + Correlació VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi BECKE + Correlació VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercanvi BECKE + Correlació LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercanvi Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercanvi Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Correlació progressiva un-paràmetre" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Correlació Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Correlació OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Intercanvi BECKE +Correlació OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi GILL + Correlació VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Intercanvi GILL + Correlació LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Intercanvi PBE +Correlació VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Intercanvi PBE +Correlació LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Intercanvi PBE + Correlació OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercanvis HF i BECKE + Correlació LYP" #~ msgid "Grid-Free" #~ msgstr "Graella lliure" #~ msgid "AO Integral Storage" #~ msgstr "Emmagatzemament integral AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicat en cada node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuït a través de tots els nodes" #~ msgid "words" #~ msgstr "paraules" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcula les propietats MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral de Retenció Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Utilitza orbitals localitzats" #~ msgid "# of Core Electrons:" #~ msgstr "# dels electrons base:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenament per caselles bifàsic" #~ msgid "Segmented Transformation" #~ msgstr "Transformació segmentada" #~ msgid "Numeric" #~ msgstr "Numèric" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessià derivada parcial segona" #~ msgid "Print Internal Force Constants" #~ msgstr "Imprimeix constants de les forces internes" #~ msgid "Displacement Size:" #~ msgstr "Mida del desplaçament:" #~ msgid "Purify Hessian" #~ msgstr "Neteja el Hessià" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessià inicial" #~ msgid "Guess (+ define)" #~ msgstr "Conjectura ( + defineix)" #~ msgid "Read (from $HESS)" #~ msgstr "Lectura ( des de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualitza la mida del pas" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Imprimeix els orbs. en cada iteració" #~ msgid "Stationary Point" #~ msgstr "Punt estacionari:" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Funció d'optimització racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximació quadràtica" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimització de les restriccions" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcula el hessià cada:" #~ msgid "Follow Mode:" #~ msgstr "Mode de seguiment:" #~ msgid "GAMESS-UK Input" #~ msgstr "Entrada GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Entrada GAMESS-UK generada per Avogadro" #~ msgid "Transition State Search" #~ msgstr "Cerca estat de transició" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriu Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "En el mode directe, les integrals no són emmagatzemades al disc, però el " #~ "recàlcul és necessari.\n" #~ "Als sistemes moderns amb processadors ràpids i discs lents, el mode " #~ "directe és normalment ràpid." #~ msgid "Run in direct mode:" #~ msgstr "Executa en mode directe:" #~ msgid "Gaussian Input" #~ msgstr "Entrada gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estàndard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punt de comprovació:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriu Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO:" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Versió:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Entrada MOPAC" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Entrada Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Entrada TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Sense restriccions" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "sí" #~ msgid "Dispersion:" #~ msgstr "Dispersió:" #~ msgid "Load Shaders" #~ msgstr "Carrega Shaders" #~ msgid "Shader Name:" #~ msgstr "Nom de Shader:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assigna shader" #~ msgid "Display Type:" #~ msgstr "Tipus de visualització:" #~ msgid "Font:" #~ msgstr "Tipus de lletra:" #~ msgid "Change Font..." #~ msgstr "Canvia el tipus de lletra..." #~ msgid "New..." #~ msgstr "Nou..." #~ msgid "Rename..." #~ msgstr "Reanomena..." #~ msgid "&Schemes:" #~ msgstr "E&squemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Amplada:" #~ msgid "&Height" #~ msgstr "&Alçada" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "a" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utilitza un valor optimitzat per la mida del tipus de lletra en lloc del " #~ "valor especificat a l'esquema (la pantalla de la mida dels punts de la " #~ "imatge no els tradueix bé!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Aut&o ajusta mida del tipus de lletra" #~ msgid "Spectra Tab" #~ msgstr "Pestanya espectral" #~ msgid "&Gaussian Width:" #~ msgstr "Amplada del &Gaussià:" #~ msgid "&Label peaks" #~ msgstr "Etiquetes de&ls pics" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipus de força angular:" #~ msgid "Energy units:" #~ msgstr "Unitats d'energia:" #~ msgid "Density units" #~ msgstr "Unitats de densitat" #~ msgid "Fermi Energy: " #~ msgstr "Energia de Fermi: " #~ msgid "States / Cell" #~ msgstr "Estats / cel·la" #~ msgid "States / Atom" #~ msgstr "Estats / Àtom" #~ msgid "States / Valence electron" #~ msgstr "Estats / València electró" #~ msgid "Fermi energy at zero" #~ msgstr "Energia de Fermi a cero" #~ msgid "Scale integrated DOS" #~ msgstr "Escala integrada DOS" #~ msgid "Show integrated DOS" #~ msgstr "Mostra integrada DOS" #~ msgid "tab_IR_Raman" #~ msgstr "pestanya_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unitats &Y eix:" #~ msgid "Scaling Type:" #~ msgstr "Tipus d'escalat:" #~ msgid "Relative" #~ msgstr "Relativa" #~ msgid "Laser Wavenumber:" #~ msgstr "Número d'ona del laser." #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "pestanya_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "A&mplada Gaussiana:" #~ msgid "Reset &Plot Axes" #~ msgstr "Re-dibuixa eixos de la funció" #~ msgid "Label Peaks:" #~ msgstr "Etiqueta dels pics:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibracions moleculars" #~ msgid "Filter: " #~ msgstr "Filtre: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activitat (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Vi&sualitza l'espectre..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibracions d'alta freqüència mostraran el moviment més ràpid" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocitat de l'animació establerta per la freqüència" #~ msgid "Display force &vectors" #~ msgstr "Mostra &vectors de força" #~ msgid "&Normalize displacements" #~ msgstr "&Normalitza les dislocacions" #~ msgid "&Recalculate All" #~ msgstr "&Re-calcula-ho tot" #~ msgid "Default &Quality:" #~ msgstr "&Qualitat per defecte:" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostra primer els orbitals ocupats" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limita els precàlculs orbitals a: " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "òrbites al voltant de HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Tipus de superfície" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baix" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mitjà" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alt" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Molt Alt" #~ msgid "Isosurface cutoff value" #~ msgstr "Valor de la drecera d'isosuperfície" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tipus en la mostra:" #~ msgid "New Display" #~ msgstr "Nova mostra" #~ msgid "Advanced..." #~ msgstr "Avançat..." #~ msgid "&Length:" #~ msgstr "&Longitud:" #~ msgid "Uni&t:" #~ msgstr "Uni&tat:" #~ msgid "periodic units" #~ msgstr "unitats periòdiques" #~ msgid "angstrom" #~ msgstr "àngstrom" #~ msgid "bohr radii" #~ msgstr "radi de Bohr" #~ msgid "nanometers" #~ msgstr "nanòmetres" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Això pot trigar una estona. Si només calen les coordenades\n" #~ "atòmiques (per exemple, per a un càlcul de mecànica\n" #~ "quàntica), una representació amb enllaços simples\n" #~ "hauria de ser suficient." #~ msgid "Find &double bonds" #~ msgstr "Cerca enllaços dobles" #~ msgid "Display visual cues" #~ msgstr "Mostra la senyal visual" #~ msgid "Python Settings" #~ msgstr "Configuració de python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriu Z" OpenChemistry-avogadrolibs-ceb949f/i18n/ca@valencia.po000066400000000000000000012217641516317240700230140ustar00rootroot00000000000000# translation of _avogadro-ca.po to Catalan (Valencia) # translation of Avogadro to Catalan (Valencian) # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # Carles Ferrando Garcia , 2009. # Toni Hermoso Pulido , 2009. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: _avogadro-ca\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Valencian \n" "Language: ca@valencia\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continua" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Tanca" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Desconegut" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Heli" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Liti" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beril·li" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carboni" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neó" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodi" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesi" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumini" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silici" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fòsfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sofre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Clor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argó" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassi" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calci" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escandi" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titani" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadi" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Crom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganés" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Coure" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gal·li" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germani" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsènic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Seleni" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Criptó" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidi" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estronci" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itri" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconi" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobi" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdè" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecneci" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruteni" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodi" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Pal·ladi" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmi" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indi" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Estany" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tel·luri" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iode" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenó" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesi" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bari" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantani" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Ceri" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimi" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimi" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometi" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samari" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europi" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolini" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbi" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosi" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmi" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbi" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tuli" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbi" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Luteci" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafni" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tàntal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungstè" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Reni" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmi" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridi" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platí" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Or" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercuri" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tal·li" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plom" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Poloni" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Àstat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radó" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Franci" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radi" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actini" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tori" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protoactini" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urani" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptuni" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutoni" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americi" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curi" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkeli" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californi" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteini" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermi" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevi" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobeli" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurenci" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Ruderfordi" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubni" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgi" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohri" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassi" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitneri" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadi" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgueni" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernici" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Navega" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Tots els fitxers" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Títol" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "No està configurada la molècula" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Boles i bastons" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Pel·lícula" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Filferro" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Taula periòdica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Afig un àtom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Esborra Àtoms" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajusta els hidrògens" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Afig un enllaç" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Suprimeix l'enllaç" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Orde de l'enllaç" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Canvia l'orde de l'enllaç" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Dur als enllaços" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Omple la cel·la unitat" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Omple la cel·la unitat" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Paràmetres" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fitxer" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Exporta" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Compila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Alinea" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Eix:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinea molècules als eixos cartesians" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Èxit" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "No es pot alçar el fitxer %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Color personalitzat…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Carrega parcial…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "l'estructura secundària" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminoàcids" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Espectre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Visualitza" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Color per residu" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimització" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Mètode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Inicia" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Atura" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimitza Geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinàmica molecular" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostra multiples enllaços" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Hidrògens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulació de l'enllaç central" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulació de l'enllaç central." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Voleu detectar els enllaços" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Enllaç" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Voleu detectar els enllaços?" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Esquelet proteïc" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Pel·lícula" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "distància:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Altra…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "&Calcula" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipus" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Àtom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Àtom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Àtom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Àtom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordenades…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor de coordenades" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nom d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Símbol d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 #, fuzzy msgid "Invalid atomic index." msgstr "Index d'àtoms." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Index d'àtoms." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nombre atòmic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalitzat" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Copia" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Suprimeix" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Optimització geomètrica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mecànica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradients conjugats" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Pas descendent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Omple la cel·la unitat…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Dibuixa" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Dibuixa l'àtom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distància:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Senzill" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importa" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Importa des de PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Estructura química a descarregar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Temps de connexió sobrepassat o un altre error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molècula especificada no s'ha trobat: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Importa des de PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configura…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Fixa els àtoms seleccionats" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimització del camp de forces" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Energia de punt senzill" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometria d'equilibri" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estat de transició" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Freqüències" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Fes EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencial base" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Cap" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Aigua" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doblet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicatió" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Catió" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutre" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anió" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianió" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Ajusta els hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Afig hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrògens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrògens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insereix" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molècula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "" "Insereix un fragment molecular per la construcció de molècules llargues." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "color:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID únic" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Etiquetes d'àtom:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacitat:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "No hi ha cap descripció" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipula" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mesura" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedre:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propietats" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exporta CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fitxers CSV (*.csv);;Tots els fitxers (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "No és pot obrir el fitxer per escriptura." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exporta…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navega" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nom químic" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Configura el camp de força…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Cerca d'esteroisòmers…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Voleu detectar els enllaços?" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Afig hidrògens per al pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimitza Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "El fitxer trajectòria %1 no concorda amb el nombre d'àtoms de l'actual " "molècula (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Afig hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Afig hidrògens per al pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Suprimeix hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " "panell d'entrada de OpenMM ?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Estat" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Entrada del generador" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Enllaços dinàmics" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pausa" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exporta el gràfic de mapa de bits" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "fitxers de vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "València" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "color" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Àtom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Àtom inicial" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Àtom final" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Orde d'enllaç" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Llargada (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Estrcutura Secundària" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vèrtex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hèlix 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Propietats d'Àtom…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Propietats d'enllaç…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Propietats d'angle…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Propietats de la torsió…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Finestra per mostrar l'àtom, enllaços, angles i propietats de torsió." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propietats" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propietats d'Àtom" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propietats d'enllaç" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propietats d'angle" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propietats de la torsió" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propietats de l'estereoisòmer" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Genera primitives utilitzant propietats QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Obri el fitxer WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fitxers WFN (*.wfn);;Tots els fitxers (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensió QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Selecciona per residu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecciona" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Selecciona per residu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Selecciona" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecció" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Omple la cel·la unitat…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Espectre" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infraroig" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Densitat dels estats" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Selecciona el color de fons" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Selecciona el color del primer pla" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Selecciona el color de l'espectre calculat" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Selecciona el color de l'espectre importat" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Nombre d'ona (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Raman espectre" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intensitats" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Desplaçament (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitat d'electrons" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Crea Superfície…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Calculant la densitat d'electrons" #: qtplugins/surfaces/surfaces.cpp:633 #, fuzzy msgid "Calculating spin density" msgstr "Calculant la densitat d'electrons" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Inicia Animació" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Atura animació" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibració" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 no s'ha executat" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diàleg" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Forma" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Insereix un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Camp de força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Èxit!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carrega parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipus:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Afegix" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "D'acord" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formata:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Suprimeix" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reinicia-ho tot" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Paràmetres per defecte" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuració &bàsica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Títol:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Calculate:" msgstr "Calcula:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcions de la super cel·la" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetició A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetició B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetició C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de text" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orde d'enllaç:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Entrada:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitat:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Amb:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Càrrega:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Altra" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Senzill" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Àcid aspartic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Àcid glutàmic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tir" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptòfan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Seqüència (N a C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereoquímica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N-terminal" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C-terminal" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Cadena recta" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Cadena número:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "El nombre de cadena per al següent pèptid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilitza la forma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Origen" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Cerca d'esteroisòmers" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Mètode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Nombre d'esteoisòmers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Cerca sistemàtica de rotors" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Cerca de rotors aleatòria" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Cerca de rotors depenent de la massa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Pas descendent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Camp de força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referència" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Senzill" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restriccions:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Longitud d'ona:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radi del punt crític:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radi del camí de l'enllaç:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Mida constant" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Factor d'escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparença" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectre importat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Visualitza" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importa un tsv del espectre experimental per sobreescriure en la funció." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fons:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "l'espectre calculat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exporta dades" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Tanca" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Clic doble esquerra: Restaura els límits dels eixos per defecte\n" "Clic dret + arrossega: Mou la funció\n" "Botó del mig + arrossega: Amplia la regió\n" "Desplaçament de la roda: Amplia el cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualitat: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baix" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mitjà" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molt alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crea Superfície" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Color de:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Potencial electrostàtic" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolució:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor de la isosuperfície :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Llum" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcula" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molècula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "1: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "2: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grup" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,carles ferrando,el_libre - http://" "www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad " "Contributions:,Avogadro Team,carles ferrando,el_libre - http://" "www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad " "Contributions:,Avogadro Team,Carles,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro " "Team,Carles,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro " "Team,Carles,el_libre - http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com" #, fuzzy #~ msgid "Angles:" #~ msgstr "Angle:" #, fuzzy #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Cancel·la" #~ msgid "°" #~ msgstr "°" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pendent)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Finestra per mostrar l'àtom, enllaços, angles i propietats de torsió." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analític" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importa..." #~ msgid "Set Color..." #~ msgstr "Estableix el color..." #~ msgid "&Export..." #~ msgstr "&Exporta..." #~ msgid "&Load data..." #~ msgstr "Carrega &dades..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Carrega parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animació" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometria" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Omple la cel·la unitat" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distància" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copia-ho tot" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nom de la molècula IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa molecular (g/mol)" #~ msgid "Chemical Formula:" #~ msgstr "Formula química:" #~ msgid "Number of Atoms:" #~ msgstr "Número d'àtoms:" #~ msgid "Number of Bonds:" #~ msgstr "Número d'enllaços:" #~ msgid "TODO" #~ msgstr "PER FER" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Mida del salt:" #, fuzzy #~ msgid "In." #~ msgstr "Entrada:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Funció DFT:" #~ msgid "Other..." #~ msgstr "Altre..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fitxer:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrcutura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navega" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navega" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nom d'element" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Tots els fitxers" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Diedre:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molècula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No està configurada la molècula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Afig hidrògens per al pH..." #~ msgid "Atom Properties..." #~ msgstr "Propietats dels àtoms..." #~ msgid "Bond Properties..." #~ msgstr "Propietats dels enllaços..." #~ msgid "Angle Properties..." #~ msgstr "Propietats d'Angle" #~ msgid "Torsion Properties..." #~ msgstr "Propietats de torsió…" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propietats de la molècula..." #~ msgid "Create Surfaces..." #~ msgstr "Crea superfícies..." #~ msgid "Insert Fragment..." #~ msgstr "Insereix un fragment…" #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distància (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Angular" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Estereoisòmer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Estereoisòmer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Estereoisòmer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsió %1" #~ msgid "Torsion" #~ msgstr "Torsió" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (KJ/mol):" #~ msgid "Yes" #~ msgstr "Sí" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Importa" #~ msgid "Insert SMILES" #~ msgstr "Insereix SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insereix un fragment SMILES:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Quiralitat invertida" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insereix un fragment molecular per la construcció de molècules llargues" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimitza Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimització geomètrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Afig hidrògens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Atura" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Color de l'índex" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Color de l'índex (roig, taronja, groc, verd, blau, violeta)" #~ msgid "Color by Partial Charge" #~ msgstr "Color de la càrrega parcial." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Color de la càrrega atòmica parcial ( blau= positiva, roja=negativa." #~ msgid "Custom Color:" #~ msgstr "Color personalitzat:" #~ msgid "Set custom colors for objects" #~ msgstr "Tria els colors personalitzats pels objectes" #~ msgid "Color by Distance" #~ msgstr "Color de la distància" #~ msgid "Color by distance from the first atom." #~ msgstr "Color de la distància des d'el primer àtom." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Color per element (carboni = gris , oxigen = roig, … )." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Color del residu (tipus d'aminoàcid, hidrofobicitat , ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Patró SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Color ressaltat:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Color del patró SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Color ressaltat de les característiques particulars amb concordança amb " #~ "el patró SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtri" #~ msgid "Ununpentium" #~ msgstr "Ununpenti" #~ msgid "Ununseptium" #~ msgstr "Ununsepti" #~ msgid "Ununoctium" #~ msgstr "Ununocti" #~ msgid "Engines" #~ msgstr "Motors" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Representa les primitives utilitzant boles (àtoms) i bastons (enllaços)" #~ msgid "Hydrogen Bond" #~ msgstr "Enllaç d'hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Representa els enllaços d'hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecciona les etiquetes de color dels àtoms" #~ msgid "Select Bond Labels Color" #~ msgstr "Selecciona les etiquetes de color dels enllaços" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecciona les etiquetes de la font dels enllaços" #~ msgid "Polygon" #~ msgstr "Polígon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Representa àtoms com tetraedres, octaedres i altres polígons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Representa esquelet proteic com cintes" #~ msgid "Ring" #~ msgstr "Anell" #~ msgid "Renders rings with colored planes" #~ msgstr "Representa anells amb plans colorejats" #~ msgid "Simple Wireframe" #~ msgstr "Filferro senzill" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Representa els enllaços com línies, ideal per molècules llargues." #~ msgid "Van der Waals Spheres" #~ msgstr "Esferes de Van der Waals" #~ msgid "Stick" #~ msgstr "Bastons" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densitat electrònica, isosuperfície= %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperfície = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Representa enllaços com línies (simplificades), ideal per biomolècules " #~ "molt grans" #~ msgid "Trajectory files" #~ msgstr "Fitxers de trajectoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fitxers DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Obri fitxer de trajectòria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Afig l'extensió .avi" #~ msgid "Animation..." #~ msgstr "Animació…" #~ msgid "Cannot read file format of file %1." #~ msgstr "No es pot llegir el format del fitxer %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "S'ha produït un error en llegir el fitxer %1 de trajectòria." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Cal especificar un nom .avi vàlid" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "El giny GL no s'ha inicialitzat de forma correcta per a alçar el vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet i el nom, acabat en .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "No es pot determinar el format del fitxer de nom: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima trajectòries, reaccions i vibracions." #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesià" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No hi ha cel·la unitària definida per la molècula -- no es poden " #~ "utilitzar coordinades fraccionaries." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesià..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesià" #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'àtoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Nombre d'enllaços angulars: %1" #~ msgid "Add constraint" #~ msgstr "Afigeix una restricció" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys un àtom per a afegir-hi una " #~ "restricció" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys dos àtoms per a afegir-hi una " #~ "restricció d'enllaç" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys tres àtoms per a afegir-hi " #~ "una restricció angular" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys quatre àtoms per a afegir-hi " #~ "una restricció de torsió" #~ msgid "Undefined" #~ msgstr "no definit" #~ msgid "Trajectory..." #~ msgstr "Trajectòria..." #~ msgid "Open chemical file format" #~ msgstr "Obri un format de fitxer químic" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fitxers químics (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Obri un fitxer de paràmetres" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fitxers químics (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importa una trajectòria" #~ msgid "Import trajectory files" #~ msgstr "Importa fitxers de trajectòria" #~ msgid "Calculate Energy" #~ msgstr "Calcula l'energia" #~ msgid "Conformer Search..." #~ msgstr "Cerca els confòrmers…" #~ msgid "Constraints..." #~ msgstr "Restriccions..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "No es pot establir el camp de forces per esta molècula. Canviant a UFF" #~ msgid "Systematic Rotor Search" #~ msgstr "Cerca sistemàtica del gir" #~ msgid "Random Rotor Search" #~ msgstr "Cerca aleatòria del gir" #~ msgid "Weighted Rotor Search" #~ msgstr "Cerca promediada del gir" #~ msgid "ForceField" #~ msgstr "Camp de forces" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimitza molècules i genera confòrmers utilitzant camps de força mecànic " #~ "moleculars" #~ msgid "&Vector Graphics..." #~ msgstr "&Gràfic vectorial..." #~ msgid "Common vector image formats" #~ msgstr "Formats comuns d'imatges vectorials" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Canvia d'H a metil" #~ msgid "H to Methyl" #~ msgstr "H a metil" #~ msgid "H2Methyl" #~ msgstr "H2metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transforma hidrògens en grups metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Afig o suprimeix hidrògens" #~ msgid "Peptide..." #~ msgstr "Pèptid" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insereix un seqüència d'oligopeptids" #~ msgid "InvertChiral" #~ msgstr "Inversióquiral" #~ msgid "Invert chiral centers" #~ msgstr "Centres d'inversió quiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconegut" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Moment dipolar estimat (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "Importa per nom químic" #~ msgid "Fetch from URL..." #~ msgstr "Importa des d'URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB (base de dades de proteïnes)" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descarregar." #~ msgid "URL" #~ msgstr "Adreça URL" #~ msgid "URL of molecule to download." #~ msgstr "Adreça URL de la molècula a descarregar." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molècula especificada no s'ha carregat: %1" #~ msgid "Network Fetch" #~ msgstr "Importa la xarxa" #~ msgid "Fetch molecule files over the network." #~ msgstr "Posa els fitxers molecular sobre la xarxa." #~ msgid "Show Preview" #~ msgstr "Mostra la previsualització" #~ msgid "Hide Preview" #~ msgstr "Amaga la previsualització" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Alça la imatge de POV-Ray generada" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fitxers d'imatge (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No s'ha proporcionat cap nom de fitxer vàlid." #~ msgid "Does not compute." #~ msgstr "No concorda." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "No heu demanat cap generació POV-Ray i no podeu utilitzar cap fitxer POV-" #~ "Ray. Així no podreu alçar cap resultat. Esteu segur que això és el que " #~ "voleu ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "No es pot escriure al fitxer %1. Esteu segurs de tindre permís " #~ "d'escriptura en este lloc?" #~ msgid "POV-Ray failed to start." #~ msgstr "S'ha produït un error en iniciar el POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "S'ha produït un error en iniciar el POV-Ray. Tal vegada podríeu comprovar " #~ "el camí a l'executable." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea fitxers POV-Ray i representa'ls utilitzant el programa d'ordes POV-" #~ "Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propietats de l'estereoisòmer..." #~ msgid "Python Terminal" #~ msgstr "Terminal de python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiu de guions de python" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Avís del generador de fitxers d'entrada Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell de visualització de fitxers d'entrada dalton ?" #~ msgid "QM Matches" #~ msgstr "Concordances QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selecció EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selecció QM..." #~ msgid "You must make a selection!" #~ msgstr "Cal que feu una selecció" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "La conversió SMILES no és disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "El format de conversió SMILES no és disponible !" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crea fitxers d'entrada per al paquet químic quàntic GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "La configuració avançada ha canviat" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "La configuració avançada ha canviat. \n" #~ "Voleu descartar-ne els canvis ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reinicialització de la configuració avançada" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració ? \n" #~ "Tots els canvis es perdran!" #~ msgid "Basic Settings Reset" #~ msgstr "Reinicialització de la configuració bàsica" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració bàsica? \n" #~ "Tot els canvis es perdran!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada GAMESS-UK ?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Entrada GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada Gaussiana" #~ msgid "Gaussian Input Deck" #~ msgstr "Entrada Gaussiana" #~ msgid "Gaussian Running." #~ msgstr "Execució Gaussiana" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "La Gaussiana s'està executant. Espereu fins que els càlculs previs hagen " #~ "finalitzat." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussià no instal·lat" #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'executable G03 no s'ha trobat." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "G03 no s'ha iniciat. Tal vegada no s'ha instal·lat de forma correcta." #~ msgid "Running Gaussian calculation..." #~ msgstr "Executant càlcul Gaussià..." #~ msgid "G03 Crashed." #~ msgstr "G03 Trencat." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "La Gaussiana no s'ha executat bé. Tal vegada no s'ha instal·lat de forma " #~ "correcta." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussià..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Entrada Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avís d'entrada MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Entrada MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Executant MOPAC" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC està executant-se. Espereu fins que els càlculs hagen acabat." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC no instal·lat" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "L'executable MOPAC, no és pot trobar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC no s'ha iniciat. Tal vegada no està correctament instal·lat" #~ msgid "Running MOPAC calculation..." #~ msgstr "Executant el càlcul MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC s'ha trencat." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC no s'executa correctament. Tal vegada no està correctament " #~ "instal·lat" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada NWChem ?" #~ msgid "NWChem Input Deck" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrades Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada de Q-Chem ?" #~ msgid "QChem Input Deck" #~ msgstr "Entrada QChem" #~ msgid "Select SMARTS..." #~ msgstr "Selecciona SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Afig una selecció per nom..." #~ msgid "SMARTS Selection" #~ msgstr "Selecció SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Patró SMART a seleccionar" #~ msgid "There is no current selection." #~ msgstr "Ni hi ha cap selecció actual." #~ msgid "Add Named Selection" #~ msgstr "Afig una selecció per nom" #~ msgid "Name cannot be empty." #~ msgstr "El nom no pot estar buit." #~ msgid "There is already a selection with this name." #~ msgstr "Ja hi ha una selecció amb este nom." #~ msgid "Selections" #~ msgstr "Seleccions." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecciona àtoms, enllaços, residus..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Obri un fitxer font de vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fitxers de vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Obri un fitxer font de fragment shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fitxers de fragment shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Obri un fitxer de paràmetres shader" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fitxers de paràmetres shader (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carrega i utilitza OpenGL 2.0 GLSL shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitat (unitats arbitraries)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densitat dels estats (estat/cel.la)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densitat dels estats (estat/àtom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densitat dels estats (estat/electró de valència)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitància (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbància (%)" #~ msgid "No intensities" #~ msgstr "Cap intensitat" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "La dada de vibració per la molècula que heu carregat no conté cap " #~ "intensitat. Les intensitats s'han establit a un valor arbitrari per la " #~ "seua visualització." #~ msgid "Activity" #~ msgstr "Activitat" #~ msgid "X Axis" #~ msgstr "Eix X" #~ msgid "Y Axis" #~ msgstr "Eix Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Paràmetres espectre &infraroig" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Paràmetres espectre RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Densitats dels estats" #~ msgid "&CD Settings" #~ msgstr "Paràmetres &CD" #~ msgid "&Raman Settings" #~ msgstr "Paràmetres &Raman" #~ msgid "No data" #~ msgstr "Sense dades" #~ msgid "Dark" #~ msgstr "Fosc" #~ msgid "Publication" #~ msgstr "Publicació" #~ msgid "Handdrawn" #~ msgstr "Dibuix a ma" #~ msgid "New Scheme" #~ msgstr "Nou esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirma eliminació d'esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Vols esborrar l'esquema actual?" #~ msgid "Change Scheme Name" #~ msgstr "Canvia Nom d'esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Escriu nou nom per a l'esquema actual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valors separats per tabulador (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valors separats per tabulador" #~ msgid "Comma Separated Values" #~ msgstr "Valors separats per coma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensió desconeguda: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Dada IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Dada IR turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Dada UV turbomole (espectre)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Dada CD turbomole (espectre cd)" #~ msgid "Data Format" #~ msgstr "Format de dada" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Carrega les dades espectrals" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "El fitxer turbomole CD s'ha formatat de forma incorrecta: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Mapa de bits de Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap portable" #~ msgid "X11 Bitmap" #~ msgstr "Bitmap X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmap X11" #~ msgid "Save Spectra Image" #~ msgstr "Alça la imatge de l'espectre" #~ msgid "&Advanced <<" #~ msgstr "&Avançat <<" #~ msgid "&Advanced >>" #~ msgstr "&Avançat >>" #~ msgid "&Spectra..." #~ msgstr "&Espectre..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualitza les dades espectrals dels càlculs químics quàntics" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Anàlisis vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "No existeixen dislocaments vibracionals." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Mostra els modes vibracionals per als càlculs químics quàntics" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Eixida %1 vibracions per freqüència..." #~ msgid "Super Cell Builder..." #~ msgstr "Constructor de super cel·les ..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este document és d'una molècula aïllada. Necessiteu crear una cel·la " #~ "unitat." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Construeix i visualitza super cel·les cristal·logràfiques" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitals moleculars..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Res" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densitat electrònica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipus no definit" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculant el cub VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculant MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcula orbitals moleculars i altres superfícies" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "L'estri GL no està correctament inicialitzat per enregistrar un vídeo" #~ msgid "GL widget has no molecule" #~ msgstr "L'estri GL no té cap molècula" #~ msgid "Building video " #~ msgstr "Codificant vídeo " #~ msgid "Could not run mencoder." #~ msgstr "No funciona mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Configura la relació d'aspecte" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "L'actual escena d'Avogadro té %1x%2 pixels d'ample i tanmateix té relació " #~ "d'aspecte %3.\n" #~ "Podeu utilitzar este valor, per exemple per utilitzar POV-Ray per produir " #~ "una imatge de %4x1000 pixels , o podeu entrar un altre valor positiu, \n" #~ "per exemple 1 si voleu utilitzar POV-Ray per produir una imatge quadrada " #~ "de d'aproximadament 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Connecta" #~ msgid "Disconnect" #~ msgstr "Desconnecta" #~ msgid "&WiiTrack" #~ msgstr "Pista&Wii" #~ msgid "Wii Tracking" #~ msgstr "Seguiment Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Moviment de tracció utilitzant Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexte OpenGL no vàlid. \n" #~ "Alguna cosa està completament trencada en la configuració OpenGL (podeu " #~ "executar alguna altre aplicació ?), o heu trobat un bug." #~ msgid "Debug Information" #~ msgstr "Informació desenvolupament" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Visualitza mida: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Àtoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "El tipus de fitxer «%1» no té suportada la lectura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada la lectura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "La lectura de la molècula amb índex %1 des del fitxer «%2» ha tingut " #~ "errades." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Substitució de la molècula: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "El tipus de fitxer «%1» no suporta l'escriptura." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada l'escriptura." #~ msgid "Could not open file '%1' for reading." #~ msgstr "No és pot obrir el fitxer «%1» per lectura." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "La substitució de la molècula amb índex %1 al fitxer «%2» ha tingut " #~ "problemes." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "No es pot obrir el fitxer %1 per lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "L'alçat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "L'alçat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "nou." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "L'alçat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "antic." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Ha fallat escriure una molècula al fitxer «%1». La funció OpenBabel ha " #~ "fallat." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Ha fallat l'escriptura dels estereoisòmers al fitxer «%1»." #~ msgid "Molecule %1" #~ msgstr "Molècula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Giny de python desconegut" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: comprobació " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - el guió no té cap 'Engine' class definit" #~ msgid " - no module" #~ msgstr " - no mòdul" #~ msgid "Unknown Python Extension" #~ msgstr "Extensió Python desconeguda" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: comprovant " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - el script no té cap 'Extension' class definit" #~ msgid "Unknown Python Tool" #~ msgstr "Eina de Python desconeguda" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: comprovant " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - el script no té cap 'Tool' class definida" #~ msgid "Tools" #~ msgstr "Eines" #~ msgid "Align:" #~ msgstr "Alinea:" #~ msgid "Everything" #~ msgstr "Tot" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: No es pot configurar el camp de forces..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Nombre de restriccions: %1" #~ msgid "Steps per Update:" #~ msgstr "Passes per actualizar:" #~ msgid "Algorithm:" #~ msgstr "Algorisme:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinàmica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinàmica molecular (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Els àtoms fixats es poden moure" #~ msgid "Ignored atoms are movable" #~ msgstr "Els àtoms ignorats es poden moure" #~ msgid "AutoOpt Molecule" #~ msgstr "Molècula optimitzada automàticament" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimització automàtica de la geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuració d'Autooptimització" #~ msgid "Auto Rotation Tool" #~ msgstr "Eina d'autogir" #~ msgid "x rotation:" #~ msgstr "rotació x:" #~ msgid "x rotation" #~ msgstr "rotació x" #~ msgid "y rotation:" #~ msgstr "rotació y:" #~ msgid "y rotation" #~ msgstr "rotació y" #~ msgid "z rotation:" #~ msgstr "rotació z:" #~ msgid "z rotation" #~ msgstr "rotació z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotació automàtica de molècules" #~ msgid "AutoRotate Settings" #~ msgstr "Configuració d'Autorotació" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longitud de l'enllaç: %L1" #~ msgid " Show Angles" #~ msgstr " Visualitza Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Dur a la vora: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipula l'enllaç central" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulació de longituds d'enllaç, angles, i torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Configuració de la manipulació de l'enllaç central" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distància (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distància (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdric: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distància(es):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mesura de longituds d'enllaç, angles i diedres" #~ msgid "Draw Bond" #~ msgstr "Dibuixa l'enllaç" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dibuixa i edita àtoms i enllaços" #~ msgid "Draw Settings" #~ msgstr "Configuració de Dibuix" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Trasllada , rota, i ajusta àtoms i fragments" #~ msgid "Manipulate Settings" #~ msgstr "Configuració de manipulació" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasllada, rota i amplia al voltat de la vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuració de navegació" #~ msgid "Selection Mode:" #~ msgstr "Mode selecció:" #~ msgid "Atom/Bond" #~ msgstr "Àtom/Enllaç" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Change color of the atom" #~ msgstr "Canvia el color de l'àtom" #~ msgid "Change label of the atom" #~ msgstr "Canvia l'etiqueta de l'àtom" #~ msgid "Change label of the bond" #~ msgstr "Canvia l'etiqueta de l'enllaç" #~ msgid "Change radius of the atom" #~ msgstr "Canvia el radi de l'àtom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nou radi, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecciona àtoms, residus i molècules" #~ msgid "Symbol" #~ msgstr "Símbol" #~ msgid "Bond Length" #~ msgstr "Longitud de l'enllaç" #~ msgid "Dihedral Angle" #~ msgstr "Angle dièdric" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor de Matriu Z ..." #~ msgid "Z-Matrix" #~ msgstr "Matriu Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crea/edita una matriu z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configuració de Matriu Z" #~ msgid "Color residues by:" #~ msgstr "Residu de color de:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicitat" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos cartesians" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos ortogonals" #~ msgid "Axis 1:" #~ msgstr "Eix 1:" #~ msgid "Axis 2:" #~ msgstr "Eix 2:" #~ msgid "Axis 3:" #~ msgstr "Eix 3:" #~ msgid "Norm" #~ msgstr "Normal" #~ msgid "Preserve vector norms" #~ msgstr "Preserva el vectors normals" #~ msgid "Atom Radius:" #~ msgstr "Radi de l'àtom:" #~ msgid "Bond Radius:" #~ msgstr "Radi de l'enllaç:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Vector personalitzat" #~ msgid "Custom:" #~ msgstr "Personalitzat:" #~ msgid "Cut-off radius:" #~ msgstr "Radi de tall:" #~ msgid "Cut-off angle:" #~ msgstr "Angle de tall:" #~ msgid "Rendering Engine:" #~ msgstr "Giny de dibuix:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Símbol i nombre del grup" #~ msgid "Symbol & Atom number" #~ msgstr "Símbol i nombre atòmic" #~ msgid "Residue number" #~ msgstr "Nombre de residu" #~ msgid "Custom data" #~ msgstr "Dada" #~ msgid "Change Font" #~ msgstr "Canvia la font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Etiqueta a canviar:" #~ msgid "Bond length" #~ msgstr "Longitud d'enllaç" #~ msgid "Bond number" #~ msgstr "Nombre d'enllaç" #~ msgid "Bond order" #~ msgstr "Orde d'enllaç" #~ msgid "Radius:" #~ msgstr "Radi:" #~ msgid "Include Nitrogens" #~ msgstr "Inclou els nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "Opacitat de VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Representa:" #~ msgid "Fill" #~ msgstr "Omple" #~ msgid "Points" #~ msgstr "Punts" #~ msgid "Draw Box:" #~ msgstr "Caixa de dibuix:" #~ msgid "Mapped Colors" #~ msgstr "Colors dibuixats" #~ msgid "Positive" #~ msgstr "Positiu" #~ msgid "Negative" #~ msgstr "Negatiu" #~ msgid "Show Atoms" #~ msgstr "Mostra els àtoms" #~ msgid "Animate Trajectory" #~ msgstr "Anima la trajectoa" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Save as .avi..." #~ msgstr "Anomena i alça com a .avi…" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, sols coordenades" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrada priroda" #~ msgid "Apply Changes" #~ msgstr "Aplica els canvis" #~ msgid "Cut All" #~ msgstr "Talla-ho tot" #~ msgid "Paste to the End" #~ msgstr "Enganxa fins el final" #~ msgid "(None)" #~ msgstr "(cap)" #~ msgid "Sort by " #~ msgstr "ordenat per " #~ msgid "Number of atoms:" #~ msgstr "Nombre d'àtoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Nombre d'enllaços angulars:" #~ msgid "Ignore Atom" #~ msgstr "Ignora l'àtom" #~ msgid "Fix Atom" #~ msgstr "Fixa l'àtom" #~ msgid "Fix Atom X" #~ msgstr "Fixa l'àtom X" #~ msgid "Fix Atom Y" #~ msgstr "Fixa l'àtom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixa l'àtom Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsió" #~ msgid "Save" #~ msgstr "Alça" #~ msgid "Load" #~ msgstr "Carrega" #~ msgid "Cartesian" #~ msgstr "Cartesià" #~ msgid "All" #~ msgstr "Tots" #~ msgid "File Import..." #~ msgstr "Importa el fitxer..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Voleu Intentar detectar els enllaços?" #~ msgid "Setup Force Field" #~ msgstr "Configura el camp de forces" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre de passos" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Hèlix alfa" #~ msgid "Beta Sheet" #~ msgstr "Làmina beta" #~ msgid "Pi Helix" #~ msgstr "Hèlix Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residus:" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançat" #~ msgid "Grid" #~ msgstr "Graella" #~ msgid "POV-Ray Export" #~ msgstr "Exporta a POV-Ray" #~ msgid "Select..." #~ msgstr "Selecciona..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Utilitza l'antialisat a tota l'escena" #~ msgid "Antialias" #~ msgstr "Antiàlies" #~ msgid "Set the background color to be transparent" #~ msgstr "Posa el color de fons transparent" #~ msgid "Alpha transparency" #~ msgstr "Transparència alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Representa la molècula directament utilitzant la orde POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "" #~ "Conserva el codi font de POV-Ray després que la representació s'haja " #~ "completat" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conserva el codi font de POV-Ray després de la representació" #~ msgid "Path:" #~ msgstr "Camí:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Calcula..." #~ msgid "Basics" #~ msgstr "Bàsics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Afig el que teclegis a la línia de títol del fitxer d'entrada \n" #~ "per a propòsits informatius" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estil de pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarització consistent de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Correlació consistent de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funcions de correlació de la base" #~ msgid "Diffuse functions" #~ msgstr "Funcions difuses" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directe" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Executa en paral·lel sempre que siga possible. Això sols és possible " #~ "per \n" #~ "funcions SCF i càlculs DFT. Dalton sols suporta MPI a la versió actual i " #~ "cal\n" #~ "compilar-lo i instal·lar-lo de forma correcta. El nombre de nodes estan " #~ "establerts utilitzant \n" #~ "la opció \"-N #\" quan s'executa el script «dalton»." #~ msgid "Parallel" #~ msgstr "Paral·lel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Especificació de xarxa:" #~ msgid "Partitioning Scheme:" #~ msgstr "Esquema de particionat:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Qualitat de la xarxa:" #~ msgid "coarse" #~ msgstr "grosa" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fina" #~ msgid "ultrafine" #~ msgstr "ultrafina" #~ msgid "Radial Scheme:" #~ msgstr "Esquema radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostra totes les funcions" #~ msgid "Property:" #~ msgstr "Característica:" #~ msgid "Polarizability" #~ msgstr "Polaritzabilitat" #~ msgid "Frequency Dependent" #~ msgstr "Freqüència dependent" #~ msgid "No. excitations:" #~ msgstr "Nombre excitacions:" #~ msgid "EFP Matches" #~ msgstr "Resultats EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta de grup:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuració &avançada" #~ msgid "Hessian" #~ msgstr "Hessià" #~ msgid "Stat Point" #~ msgstr "Punt d'estat" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Conjectura MO" #~ msgid "Misc" #~ msgstr "Miscel·lània" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització D del àtoms pesants :" #~ msgid "Read" #~ msgstr "Llig" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difusió capa S als àtoms pesants" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difusió capa L als àtoms pesants" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Doble valència zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple valència zeta" #~ msgid "SBKJA Valence" #~ msgstr "València SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "València Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipus ECP" #~ msgid "Default" #~ msgstr "Per defecte" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització F dels àtoms pesants:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funcions de polarització dels àtoms lleugers:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iteracions Max SCF:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Punt Saddle" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient extrem" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transició radiactiva mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbita" #~ msgid "Finite Electric Field" #~ msgstr "Camp elèctric finit" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimització global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimització FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Cap (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipus SCF:" #~ msgid "Localization Method:" #~ msgstr "Mètode de localització:" #~ msgid "Exec Type:" #~ msgstr "Tipus Exec:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinant Lab. Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espai actiu múltiple restrictiu de la ocupació" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Cl ple de segon orde" #~ msgid "General CI" #~ msgstr "Cl general" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearitzat CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC amb dobles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC amb simples i dobles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execució normal" #~ msgid "Check" #~ msgstr "Comprova" #~ msgid "Debug" #~ msgstr "Depura" #~ msgid "Molecule Charge:" #~ msgstr "Carrega molecular:" #~ msgid "Run Type:" #~ msgstr "Executa el tipus:" #~ msgid "Use MP2" #~ msgstr "Utilitza MP2" #~ msgid "Use DFT" #~ msgstr "Utilitza DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# de les variables de la matriu Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Orde dels eixos principals:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenades cartesianes úniques" #~ msgid "Hilderbrant internals" #~ msgstr "interiors de Hilderbrant" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Utilitza simetria durant el càlcul" #~ msgid "Point Group:" #~ msgstr "Grup del punt:" #~ msgid "Minutes" #~ msgstr "Minuts" #~ msgid "Hours" #~ msgstr "Hores" #~ msgid "Days" #~ msgstr "Dies" #~ msgid "Weeks" #~ msgstr "Setmanes" #~ msgid "Years" #~ msgstr "Anys" #~ msgid "Millenia" #~ msgstr "Mil·lennis" #~ msgid "MegaWords" #~ msgstr "Mega paraules" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "Giga paraules" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Mètodes de força paral·lela" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producte «core» fitxer sobre la interrupció" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memòria:" #~ msgid "Diagonalization Method:" #~ msgstr "Mètode de diagonalització:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipus del balanç de càrrega paral·lel" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Següent valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Utilitzeu dades externes per representar el missatges" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO llegit ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO alçat (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omet" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Gira els orbitals alfa i beta" #~ msgid "Print the Initial Guess" #~ msgstr "Imprimeix la conjectura inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfície GAMESS per als altres codis" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Força el funcionament a prova" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versió UK)" #~ msgid "Solvate with Water" #~ msgstr "Solvata amb aigua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genera els orbitals naturals UHF" #~ msgid "Direct SCF" #~ msgstr "SCF directe" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "El càlcul sols ha canviat la matriu de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercanvi Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercanvi Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlació Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlació Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Intercanvi Slater + Correlació VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi BECKE + Correlació VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercanvi BECKE + Correlació LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercanvi Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercanvi Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Correlació progressiva un-paràmetre" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Correlació Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Correlació OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Intercanvi BECKE +Correlació OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi GILL + Correlació VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Intercanvi GILL + Correlació LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Intercanvi PBE +Correlació VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Intercanvi PBE +Correlació LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Intercanvi PBE + Correlació OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercanvis HF i BECKE + Correlació LYP" #~ msgid "Grid-Free" #~ msgstr "Graella lliure" #~ msgid "AO Integral Storage" #~ msgstr "Emmagatzemament integral AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicat en cada node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuït a través de tots els nodes" #~ msgid "words" #~ msgstr "paraules" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcula les propietats MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral de Retenció Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Utilitza orbitals localitzats" #~ msgid "# of Core Electrons:" #~ msgstr "# dels electrons base:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenament per caselles bifàsic" #~ msgid "Segmented Transformation" #~ msgstr "Transformació segmentada" #~ msgid "Numeric" #~ msgstr "Numèric" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessià derivada parcial segona" #~ msgid "Print Internal Force Constants" #~ msgstr "Imprimeix constants de les forces internes" #~ msgid "Displacement Size:" #~ msgstr "Mida del desplaçament:" #~ msgid "Purify Hessian" #~ msgstr "Neteja el Hessià" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessià inicial" #~ msgid "Guess (+ define)" #~ msgstr "Conjectura ( + defineix)" #~ msgid "Read (from $HESS)" #~ msgstr "Lectura ( des de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualitza la mida del pas" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Imprimeix els orbs. en cada iteració" #~ msgid "Stationary Point" #~ msgstr "Punt estacionari:" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Funció d'optimització racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximació quadràtica" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimització de les restriccions" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcula el hessià cada:" #~ msgid "Follow Mode:" #~ msgstr "Mode de seguiment:" #~ msgid "GAMESS-UK Input" #~ msgstr "Entrada GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Entrada GAMESS-UK generada per Avogadro" #~ msgid "Transition State Search" #~ msgstr "Cerca estat de transició" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriu Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "En el mode directe, les integrals no són emmagatzemades al disc, però el " #~ "recàlcul és necessari.\n" #~ "Als sistemes moderns amb processadors ràpids i discs lents, el mode " #~ "directe és normalment ràpid." #~ msgid "Run in direct mode:" #~ msgstr "Executa en mode directe:" #~ msgid "Gaussian Input" #~ msgstr "Entrada gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estàndard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punt de comprovació:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriu Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO:" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Versió:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Carrega Shaders" #~ msgid "Shader Name:" #~ msgstr "Nom de Shader:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assigna shader" #~ msgid "Display Type:" #~ msgstr "Tipus de visualització:" #~ msgid "Font:" #~ msgstr "Tipus de lletra:" #~ msgid "Change Font..." #~ msgstr "Canvia el tipus de lletra..." #~ msgid "New..." #~ msgstr "Nou..." #~ msgid "Rename..." #~ msgstr "Reanomena..." #~ msgid "&Schemes:" #~ msgstr "E&squemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Amplada:" #~ msgid "&Height" #~ msgstr "&Alçada" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "a" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utilitza un valor optimitzat per la mida del tipus de lletra en lloc del " #~ "valor especificat a l'esquema (la pantalla de la mida dels punts de la " #~ "imatge no els tradueix bé!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Aut&o ajusta mida del tipus de lletra" #~ msgid "Spectra Tab" #~ msgstr "Pestanya espectral" #~ msgid "&Gaussian Width:" #~ msgstr "Amplada del &Gaussià:" #~ msgid "&Label peaks" #~ msgstr "Etiquetes de&ls pics" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipus de força angular:" #~ msgid "Energy units:" #~ msgstr "Unitats d'energia:" #~ msgid "Density units" #~ msgstr "Unitats de densitat" #~ msgid "Fermi Energy: " #~ msgstr "Energia de Fermi: " #~ msgid "States / Cell" #~ msgstr "Estats / cel·la" #~ msgid "States / Atom" #~ msgstr "Estats / Àtom" #~ msgid "States / Valence electron" #~ msgstr "Estats / València electró" #~ msgid "Fermi energy at zero" #~ msgstr "Energia de Fermi a cero" #~ msgid "Scale integrated DOS" #~ msgstr "Escala integrada DOS" #~ msgid "Show integrated DOS" #~ msgstr "Mostra integrada DOS" #~ msgid "tab_IR_Raman" #~ msgstr "pestanya_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unitats &Y eix:" #~ msgid "Scaling Type:" #~ msgstr "Tipus d'escalat:" #~ msgid "Relative" #~ msgstr "Relativa" #~ msgid "Laser Wavenumber:" #~ msgstr "Número d'ona del laser." #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "pestanya_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "A&mplada Gaussiana:" #~ msgid "Reset &Plot Axes" #~ msgstr "Re-dibuixa eixos de la funció" #~ msgid "Label Peaks:" #~ msgstr "Etiqueta dels pics:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibracions moleculars" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activitat (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Vi&sualitza l'espectre..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibracions d'alta freqüència mostraran el moviment més ràpid" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocitat de l'animació establerta per la freqüència" #~ msgid "Display force &vectors" #~ msgstr "Mostra &vectors de força" #~ msgid "&Normalize displacements" #~ msgstr "&Normalitza les dislocacions" #~ msgid "&Recalculate All" #~ msgstr "&Re-calcula-ho tot" #~ msgid "Default &Quality:" #~ msgstr "&Qualitat per defecte:" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostra primer els orbitals ocupats" #~ msgid "Surface Type:" #~ msgstr "Tipus de superfície" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baix" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mitjà" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alt" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Molt Alt" #~ msgid "Isosurface cutoff value" #~ msgstr "Valor de la drecera d'isosuperfície" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tipus en la mostra:" #~ msgid "New Display" #~ msgstr "Nova mostra" #~ msgid "Advanced..." #~ msgstr "Avançat..." #~ msgid "Display visual cues" #~ msgstr "Mostra la senyal visual" #~ msgid "Python Settings" #~ msgstr "Configuració de python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriu Z" OpenChemistry-avogadrolibs-ceb949f/i18n/cs.po000066400000000000000000013376731516317240700212420ustar00rootroot00000000000000# Czech translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # FIRST AUTHOR , 2008. # Pavel Fric , 2009, 2012. # Pavel Fric , 2010. # Martin Slavík , 2023. # LibreTranslate , 2024. # Tomáš Poláček , 2024. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Czech \n" "Language: cs\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=((n==1) ? 0 : (n>=2 && n<=4) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referenční soubor '%1' neexistuje." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Chyba při vyplňování souboru %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Tvůrce vstupu" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Pokračovat" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zavřít" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Neznámý" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vodík" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Uhlík" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Dusík" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Kyslík" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodík" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Hliník" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Křemík" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Síra" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Draslík" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Vápník" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanad" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chrom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikl" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Měď" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinek" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arzén" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkon" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technecium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Stříbro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Cín" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jód" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cezium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cer" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodymi" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymi" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Rtuť" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Všechny soubory" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Název" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teorie" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Základ" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Náboj" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicita" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Koule a tyče" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Předloha" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Síla" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Značka" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Povrchy" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drátěná kostra" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "bez názvu" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodická tabulka" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Přidat atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Odstranit atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Upravit Vodíky" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Změnit prvek" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Změnit prvek" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Přidat vazbu" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Smazat vazbu" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Změnit druh vazby" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Zapadnout do vazeb" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Odstranit jednotkovou buňku" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Zabalit atomy do buňky" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Změnit velikost objemu jednotkové buňky" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Otočit do obvyklého natočení" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Zmenšit na základní buňku" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Vyplnit jednotkovou buňku" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Redukovat na Asymetrickou jednotku" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Nastavení" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Soubor" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportovat" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Sestavení" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Prvek:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Zarovnání" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Zarovnat molekuly\n" "\n" "Levé tlačítko myši:\tVybrat až dva atomy.\n" "\tPrvní atom je vystředěn při původním.\n" "\tDruhý atom je zarovnán vůči vybrané ose.\n" "Pravé tlačítko myši:\tNastavit zarovnání znovu.\n" "Dvojité klepnutí:\tVystředit atom při původním." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Osa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Zarovnat molekuly ke kartézským osám" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Chyba" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Chyba" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Úspěch" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Vlastní barva…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Prvek" #: qtplugins/applycolors/applycolors.cpp:73 #, fuzzy msgid "By Chain" msgstr "řetězce" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Částečný náboj…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "druhotnou strukturu" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminokyseliny" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spektra" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Zobrazit" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Barva zbytku" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimalizace" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Teplota:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Spustit" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Zastavit" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Vyladit uspořádání" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekulární dynamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Ukázat násobné vazby" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Úpravy zaměřené na vazbu" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Nástroj pro zacházení s vazbami\t(%1)\n" "\n" "Levé tlačítko myši:\tKlepněte a táhněte pro otočení pohledu\n" "Prostřední tlačítko myši:\tKlepněte a táhněte pro přiblížení nebo oddálení\n" "Pravé tlačítko myši:\tKlepněte a táhněte pro posunutí pohledu\n" "Dvojité klepnutí:\tNastavit pohled znovu\n" "\n" "Klepnutí levým tlačítkem myši & tažení vazby pro nastavení roviny pro " "zacházení\n" "Klepnutí levým tlačítkem myši & tažení jedním atomem ve vazbě pro změnu " "úhlu\n" "Klepnutí levým tlačítkem myši & tažení jedním atomem ve vazbě pro změnu délky" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Úpravy zaměřené na vazbu." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Vazba" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Páteř" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Stuha" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Předloha" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Přidat střed hmoty" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Rozšíření" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Skripty" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "jiné…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Vypočítat" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Úhel" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Typ" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor pro souřadnice…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor pro souřadnice" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Název prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Symbol prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atomové indexy." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomové číslo." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X Souřadnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y Souřadnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z Souřadnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Vlastní" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Vstup Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Kopírovat" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Smazat" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 #, fuzzy msgid "Copy As" msgstr "Kopírovat jako" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Optimalizace uspořádání" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekulární mechanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "ŽÁDNÝ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Sdružovat přechody" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Nejstrmější pokles" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Zavést krystal ze schránky…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Vazební jednotkovou buňku…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Zabalit atomy do buňky" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "&Otočit do obvyklého natočení" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Změnit velikost buňky k &objemu…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Zmenšit buňku (&titěrná)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Krystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Odstranit &jednotkovou buňku" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Přidat &jednotkovou buňku" #: qtplugins/crystal/crystal.cpp:169 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Zavést krystal ze schránky" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Zachovat atomy v jednotkové buňce." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 #, fuzzy msgid "The unit cell is already reduced." msgstr "Tato jednotková buňka je již zmenšena." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Krystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Text nelze zpracovat" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipólový moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Nakreslit" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Nástroj na kreslení\t(%1)\n" "\n" "Levé tlačítko myši:\tKlepnout a táhnout pro vytvoření atomů a vazeb\n" "Pravé tlačítko myši:\tSmazat atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Nakreslit Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Vzdálenost:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Jednoduchá" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dvojná" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trojná" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Natáhnout z PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Chemická struktura ke stažení." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Vypršení času na síti nebo jiná chyba." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Zadanou molekulu nelze najít: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Natáhnout z PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Nastavit…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Upevnit vybrané atomy" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimalizace silového pole" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Vstup GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Energie jednoho bodu" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Uspořádání rovnováhy" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Stav přechodu" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Kmitočty" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Provést EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Jaderný potenciál" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Není" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Plyn" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Jednoelektronová vazebná energie (částice s nulovou vazebnou silou)" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dvousložková spektrální čára" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikationt" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kationt (klaný iont)" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutrální částice" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Aniont (záporně nabitý iont)" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianiont" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Upravit Vodíky" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Přidat vodíkové atomy" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Odstranit vodíkové atomy" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Vodíkové atomy" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodíkové atomy" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Vložit" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Vložit DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Thymin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Vložit Molekula…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Vložit DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Krystal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Import krystalu" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Vložit fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Vložit fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Vložit fragmenty molekul pro sestavení větších molekul." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Barva:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Vzdálenost od centra:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Jedinečné ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Prvek" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Chcete zaktualizovat text náhledu? Všechny změny provedené v náhledové " "tabulce zadávací vrstvy Lammps budou ztraceny." #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Průhlednost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravit" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Nástroj pro úpravy\t(%1)\n" "\n" "Levé tlačítko myši:\tKlepněte a táhněte pro přesunutí atomů\n" "Pravé tlačítko myši:\tKlepněte a táhněte pro otočení vybraných atomů." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Měření" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Střechan:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Úhel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekulární…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Vlastnosti" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Vlastnosti molekul" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Vlastnosti molekuly" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportovat CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Soubory CSV (*.csv);;Všechny soubory (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Nepodařilo se otevřít soubor pro zápis." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exportovat…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Pohyb" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Nástroj pro pohyb\t(%1)\n" "\n" "Levé tlačítko myši:\tKlepněte a táhněte pro otočení pohledu\n" "Prostřední tlačítko myši:\tKlepněte a táhněte pro přiblížení nebo oddálení\n" "Pravé tlačítko myši:\tKlepněte a táhněte pro posunutí pohledu." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Chemický název" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Nastavit silové pole…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Hledání konformačního izomeru…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Rozpoznat vazby" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Přidat vodíkové atomy pro pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Odstranit vodíkové atomy" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Vyladit uspořádání (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 #, fuzzy msgid "Generate Conformers" msgstr "Konformační izomer" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Přidat vodíkové atomy (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Přidat vodíkové atomy pro pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstranit vodíkové atomy (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " "tabulce zadávací vrstvy OpenMM budou ztraceny." #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Stav" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Tvůrce vstupu" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 #, fuzzy msgid "Frame:" msgstr "Snímky:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Dynamické vazby" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pozastavit" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "Video soubory (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Uložit soubor" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Formální náboj" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Barva" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Počáteční atom" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Koncový atom" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Druh vazby" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Délka (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "řetězce" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vrchol" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Úhel (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 #, fuzzy msgid "Adjust Fragment" msgstr "Upravit fragment" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Šroubovice 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Vlastnosti atomu…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Vlastnosti vazby…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Vlastnosti úhlu…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Vlastnosti zkroucení…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Okna pro zobrazení vlastností atomů, vazeb, úhlů a zkroucení." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Vlastnosti" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Vlastnosti atomu" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Vlastnosti vazby" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Vlastnosti úhlu" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Vlastnosti zkroucení" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Vlastnosti konformačního izomeru" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Vykresluje základní tvary za použití vlastností QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Molekulární graf…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Molekulární graf s osamělými páry…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Atomický náboj…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Otevřít soubor WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Soubory WFN (*.wfn);;Všechny soubory (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Rozšíření QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Výběr podle prvku…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Výběr podle zbytku…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Vybrat" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Výběr prvku" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Výběr zbytku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Vybrat" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Výběr" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Nástroj pro výběr\t(%1)\n" "\n" "Levé tlačítko myši:\tKlepněte pro výběr jednotlivých atomů, zbytků nebo " "fragmentů\n" "\tTáhněte pro výběr rozsahu atomů\n" "Pravé tlačítko myši:\tKlepněte vně molekuly pro zbavení se výběru\n" "Dvojité klepnutí:\tVyberte celý fragment." #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Počáteční atom" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Vnímat prostorovou skupinu…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Redukovat na Asymetrickou jednotku" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Vyplnit jednotkovou buňku…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Prostorová skupina" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Vnímání prostorové skupiny se nezdařilo:\n" "Chtěl byste to zkusit znovu s jinou povolenou odchylkou?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Mezinárodní" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Vybrat prostorovou grupu" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Prostorová skupina" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektra" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infračervené" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Hustoty Stavů" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Vybrat barvu pozadí" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Vybrat barvu popředí" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Vybrat barvu vypočteného spektra" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Vyberte si barvu importovaného spektra" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Vlnové číslo (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intenzity" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Posun (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energie (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Styl:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Souměrnost" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulový orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronová hustota" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Vytvořit povrchy…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Počítá se elektronová hustotu" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Souměrnost…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Skupina %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Spustit animaci" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Zastavit animaci" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibrace" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Spuštění %1 selhalo" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulář" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Vložit fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtr:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Zadejte název nebo část názvu, aby se ukázaly pouze odpovídající soubory." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Vložit" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Silové pole:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Úspěch!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Částečný náboj" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Přidat omezení" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Typ:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Přidat" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formát:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Vymazat" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Použít" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Obnovit vše" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Výchozí" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Uložit soubor…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Základní nastavení" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Název:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Vypočítat:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Volby pro superbunky" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Opakování A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Opakování B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Opakování C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Použít" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Skrýt" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Změnit velikost objemu jednotkové buňky" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Textový popisek" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Druh vazby:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Vstup GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "V:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Násobnost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Šířka:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Náklad:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "Název" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Vložit nukleové kyseliny" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Tvorba DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleové kyseliny:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sekvence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "počet základních párů na otočení šroubovice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "jiné" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Párů bází na otočení:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Řetězců:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Jednoduchá" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojná" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Kyselina aspartová" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cystein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Kyselina glutamová" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Izoleucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tyrozin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "T(h)reonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenylalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lyzin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Posloupnost (N k C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochemie:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Koncový bod N:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Koncový bod C:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Stavba" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Přímý (nerozvětvený) řetězec" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Číslo řetězce" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Číslo řetězce pro nový peptid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Vyberte typ jednotek, které budou použity při simulaci." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "reálný" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "kov" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potenciální půdní vlhkost" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Vyberte hodnotu atom_style, který se používá v datovém souboru." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Styl atomu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "úhel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomový" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "vazba" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "náboj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipól" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "plný" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "čára" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekulární" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "koule" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "vlnový balík" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Určete jméno, které bude použito pro souborové souřadnice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordinovat datový soubor" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Soubor" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Teplota" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Vyberte počet řetězců Nose-Hoovera v NVT souboru." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "řetězce NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "Časový krok pro simulaci v jednotkách dle specifikace \"jednotek\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Doba kroku" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Jméno souboru XYZ pro záznam dat během simulace." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Vypsat XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Počet rozměrů v systému." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Rozměry" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Změna hranice stylu pro Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Změna hranice stylu pro Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Změna hranice stylu pro X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Vyberte hraniční styly pole ve směru X, Y a Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Hranice" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Počet kopií ve směrech X, Y a Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "kopírování" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Směr kopírování X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Směr kopírování Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Směr kopírování Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Celkový počet časových kroků spustit simulaci." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Počet kroků" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "interval záznamu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Nastavte počáteční rychlost atomu pro simulaci." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Počáteční rychlosti" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Výběr rozložení počátečních rychlostí atomů." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussovo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "homogenní" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Nastavte počáteční rychlost atomu tak, aby odpovídala této teplotě." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Odstranit lineární hybnost systému z počátečních rychlostí." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "nulová hybnost" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Odstraňte hybnost systému z počátečních rychlostí." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nulový moment hybnosti" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Ovládání termodynamického výkonu během simulace." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval výstupu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Styl termodynamického výstupu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Jedna linka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Více linek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Použít vzhled" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Překlad od:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Otáčet kolem:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Počátek" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-osy" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-osy" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-osy" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Hledání konformačního izomeru" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Počet konformačních izomerů:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Soustavné hledání bodu otáčení" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Náhodné hledání bodu otáčení" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Zatížené hledání bodu otáčení" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Hledání genetického algoritmu" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Volby pro genetický algoritm" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Potomci:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Proměnitelnost:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy msgid "Scoring method:" msgstr "Způsob bodování:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Nejstrmější pokles" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Silové pole:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Odkaz" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Jednoduchá" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvojná" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Omezení:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Celková síla" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Vlnová délka:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Poloměr kritického bodu:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Poloměr vazební cesty:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentní" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Stálá velikost" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Násobek velikosti:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Vzhled" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Import spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Ukázat" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Zavedení tsv pokusných spekter pro pokrytí nákresu." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Pozadí:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Vypočítané spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export dat" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zavřít" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Ovládání:\n" "Dvojité klepnutí levým tlačítkem myši: Obnovit výchozí hranice os\n" "Klepnutí levým tlačítkem myši + táhnutí: Pohnout nákresem\n" "Klepnutí prostředním tlačítkem myši + táhnutí: Zaměřit se na oblast\n" "Otáčení kolečkem myši: Zaměřit se na polohu kurzoru" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kvalita: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Nízká" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Střední" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Vysoká" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Velmi vysoká" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Vytvořit povrchy" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Barva dle:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Elektrostatický potenciál" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rozlišení:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Hodnota isopovrchu:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Světlo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Vypočítat" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normální" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detekovat symetrii" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Formální náboj:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Přímočarý" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Přímočarý" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "ze schránky" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Skupiny" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Skupina:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Rozkmit:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Number of Dimensions:" msgstr "Počet rozměrů:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Vaclav Rehak,Vojtěch Trefný, ,Launchpad " "Contributions:,Vaclav Rehak,Vojtěch Trefný,milboy, ,Launchpad " "Contributions:,Avogadro Team,fri, ,Launchpad Contributions:,Avogadro " "Team,Geoff Hutchison,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Roman Horník,Zbyněk Schwarz,fri, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Pepa,Roman Horník,Zbyněk " "Schwarz,Zdeněk Chalupský,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Pepa,Roman Horník,Zbyněk Schwarz,Zdeněk Chalupský,fri, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Martin Slavík,Pepa,Roman " "Horník,Zbyněk Schwarz,Zdeněk Chalupský,fri" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,venca.rehak@seznam.cz,vojtech.trefny@gmail.com,,,venca.rehak@seznam.cz,vojtech.trefny@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,roman.hornik@gmail.com,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,roman.hornik@gmail.com,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,,,,pavelfric@seznam.cz,,,avogadro-" "devel@lists.sourceforge.net,,,,,,,pavelfric@seznam.cz" #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Úhel:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Zrušit" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(čekající na vyřízení)" #, fuzzy, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick and drag to rotate the view.\n" #~ "Middle Mouse:\tClick and drag to zoom in or out.\n" #~ "Right Mouse:\tClick and drag to move the view.\n" #~ "Double-Click:\tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Nástroj pro zacházení s vazbami\t(%1)\n" #~ "\n" #~ "Levé tlačítko myši:\tKlepněte a táhněte pro otočení pohledu\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přiblížení nebo " #~ "oddálení\n" #~ "Pravé tlačítko myši: \\tKlepněte a táhněte pro posunutí pohledu" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Okna pro zobrazení vlastností atomů, vazeb, úhlů a zkroucení." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Zarovnat molekuly\n" #~ "\n" #~ "Levé tlačítko myši: \tVybrat až dva atomy.\n" #~ "\tPrvní atom je vystředěn při původním.\n" #~ "\tDruhý atom je zarovnán vůči vybrané ose.\n" #~ "Pravé tlačítko myši: \tNastavit zarovnání znovu.\n" #~ "Dvojité klepnutí: \tVystředit atom při původním." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analytická" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importovat..." #~ msgid "Set Color..." #~ msgstr "Nastavit barvu..." #~ msgid "&Export..." #~ msgstr "&Export..." #~ msgid "&Load data..." #~ msgstr "&Nahrát data..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Částečný náboj" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Nástroj pro zacházení s vazbami\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte pro otočení pohledu\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přiblížení nebo " #~ "oddálení\n" #~ "Pravé tlačítko myši: \tKlepněte a táhněte pro posunutí pohledu\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu\n" #~ "\n" #~ "Klepnutí levým tlačítkem myši & tažení vazby pro nastavení roviny pro " #~ "zacházení:\n" #~ "Klepnutí levým tlačítkem myši & tažení jedním atomem ve vazbě pro změnu " #~ "úhlu\n" #~ "Klepnutí levým tlačítkem myši & tažení jedním atomem ve vazbě pro změnu " #~ "délky" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Nástroj na kreslení (F8)\n" #~ "Levé tlačítko myši: \tKlepnout a táhnout pro vytvoření atomů a vazeb\n" #~ "Pravé tlačítko myši: \tSmazat atom" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Klepněte pro změření (F 12)\n" #~ "\n" #~ "Levé tlačítko myši: \tVyberte až tři atomy\n" #~ "\tVzdálenosti jsou měřeny mezi 1-2 a 2-3\n" #~ "\tÚhel je měřen mezi 1-3 za použití 2 jako společného bodu\n" #~ "Pravé tlačítko myši: \tNastavte měření znovu. Dvojité klepnutí: " #~ "\tNastavte pohled znovu." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Nástroj pro pohyb (F 9)\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte pro otočení pohledu\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přiblížení nebo " #~ "oddálení\n" #~ "Pravé tlačítko myši: \tKlepněte a táhněte pro posunutí pohledu\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animace" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Nástroj pro výběr (F 11)\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte pro výběr jednotlivých atomů, zbytků nebo " #~ "fragmentů\n" #~ "\tTáhněte pro výběr rozsahu atomů\n" #~ "Pravé tlačítko myši: \tKlepněte vně molekuly pro zbavení se výběru\n" #~ "Dvojité klepnutí: \t Vyberte celý fragment." #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Nástroj pro úpravy (F 10)\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte pro přesunutí atomů\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přesunutí atomů dál pryč " #~ "nebo blíž\n" #~ "Pravé tlačítko myši: \tKlepněte a táhněte pro otočení vybraných atomů\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu" #~ msgid "Geometry" #~ msgstr "Uspořádání" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Přidat &jednotkovou buňku" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomové indexy" #, fuzzy #~ msgid "By Distance" #~ msgstr "Vzdálenost" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomové indexy" #, fuzzy #~ msgid "&Copy" #~ msgstr "Kopírovat vše" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Název molekuly IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Váha molekuly (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemický vzorec:" #~ msgid "Number of Atoms:" #~ msgstr "Počet atomů:" #~ msgid "Number of Bonds:" #~ msgstr "Počet vazeb:" #~ msgid "TODO" #~ msgstr "Seznam úkolů" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Velikost skoku:" #, fuzzy #~ msgid "In." #~ msgstr "V:" #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Fragmenty" #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "DFT Funkcionál" #~ msgid "Other..." #~ msgstr "Ostatní:" #, fuzzy #~ msgid "Filename" #~ msgstr "Název souboru:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Nahrát soubor" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Pohyb" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Pohyb" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Název prvku" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Všechny soubory" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Klencová" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Žádný soubor molekul" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Krystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Přidat vodíkové atomy pro pH..." #~ msgid "Atom Properties..." #~ msgstr "Vlastnosti atomu..." #~ msgid "Bond Properties..." #~ msgstr "Vlastnosti vazby..." #~ msgid "Angle Properties..." #~ msgstr "Vlastnosti úhlu..." #~ msgid "Torsion Properties..." #~ msgstr "Vlastnosti zkroucení..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Vlastnosti molekul..." #~ msgid "Create Surfaces..." #~ msgstr "Vytvořit povrchy..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Souměrnost" #~ msgid "Insert Fragment..." #~ msgstr "Vložit fragment" #~ msgid "Theory:" #~ msgstr "Teorie:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Vzdálenost (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Otočná" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Délka %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Úhel %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Úhel %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Kroucení %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Zkroucení %1" #~ msgid "Torsion" #~ msgstr "Zkroucení" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ano" #~ msgid "No" #~ msgstr "Ne" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Vložit SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Vložit SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Vložit krystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Vložit fragmenty molekul pro sestavení větších molekul" #~ msgid "E&xtensions" #~ msgstr "Roz&šíření" #~ msgid "Symmetry Properties..." #~ msgstr "Vlastnosti symetrie..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Vyladit uspořádání" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimalizace uspořádání" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Přidat vodíkové atomy" #, fuzzy #~ msgid "Stopped" #~ msgstr "Zastavit" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Povrchy" #~ msgid "Color by Index" #~ msgstr "Barva podle seznamu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Barva podle seznamu (červená, oranžová, žlutá, zelená, modrá, fialová)." #~ msgid "Color by Partial Charge" #~ msgstr "Barva podle parciálního náboje" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Barva podle parciálního atomového náboje (modrá = pozitivní, červená = " #~ "negativní)." #~ msgid "Custom Color:" #~ msgstr "Vlastní barva:" #~ msgid "Set custom colors for objects" #~ msgstr "Nastavit vlastní barvy předmětů" #~ msgid "Color by Distance" #~ msgstr "Barva podle vzdálenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Barva podle vzdálenosti od prvního atomu." #~ msgid "Color by Element" #~ msgstr "Barvy podle prvku" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Barvy podle prvku (uhlík = šedá, kyslík = červená, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Barva podle zbytku (typ aminokyselin, hydrofobie, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Vzor SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Barva zvýraznění:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Barva podle vzoru SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Zvýraznit zvláštní vlastnosti, které odpovídají vzoru SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Stroje" #~ msgid "Axes" #~ msgstr "Osy" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Vykresluje osy x.y.z v počátku" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Vykresluje základní tvary za použití koulí (atomy) a tyčí (vazby)" #~ msgid "Dipole" #~ msgstr "Dipól" #~ msgid "Hydrogen Bond" #~ msgstr "Vodíková vazba" #~ msgid "Renders hydrogen bonds" #~ msgstr "Vykresluje vodíkové vazby" #~ msgid "Select Atom Labels Color" #~ msgstr "Vybrat barvu pro značky atomů" #~ msgid "Select Bond Labels Color" #~ msgstr "Vybrat barvu pro značky vazeb" #~ msgid "Select Bond Labels Font" #~ msgstr "Vybrat písmo pro značky vazeb" #~ msgid "Polygon" #~ msgstr "Mnohoúhelník" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Vykresluje atomy jako čtyřstěnné, osmistěnné a jiné mnohoúhelníky" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Vykresluje hlavní řetězce proteinů jako stuhy" #~ msgid "Ring" #~ msgstr "Kruh" #~ msgid "Renders rings with colored planes" #~ msgstr "Vykresluje kruhy s barevnými rovinami" #~ msgid "Simple Wireframe" #~ msgstr "Jednoduchá drátěná kostra" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Vykresluje vazby jako dráty (čáry), což je ideální pro rozsáhlé molekuly" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsovy sféry" #~ msgid "Stick" #~ msgstr "Tyčka" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektronová hustota, isopovrch = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isoplocha = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Vykresluje vazby jako dráty (čáry), což je ideální pro velmi rozsáhlé " #~ "(bio)molekuly" #~ msgid "Trajectory files" #~ msgstr "Soubory s drahami" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Soubory DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Otevřít soubor s drahami" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Přidává se koncovka .avi" #~ msgid "Animation..." #~ msgstr "Animace..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Nelze rozpoznat typ souboru %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Načítání souboru s drahami %1 selhalo." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Musíte určit platný soubor .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL prvek nebyl pro uložení videa správně spuštěn" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Neplatný název souboru s videem. Musíte uvést úplnou cestu k souboru" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Neplatný název videosouboru. Musíte určit úplnou cestu k souboru a " #~ "název,včetně koncovky .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Z názvu souboru nelze určit formát: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animovat dráhy, reakce a vibrace." #~ msgid "Cartesian Editor" #~ msgstr "Kartézský editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Pro molekulu nebyla stanovena žádná jednotková buňka -- nelze použít " #~ "souřadnice vyjádřené zlomkem." #~ msgid "Cartesian Editor..." #~ msgstr "Karteziánský editor..." #~ msgid "Cartesian editor" #~ msgstr "Kartézský editor" #~ msgid "Number of atoms: %1" #~ msgstr "Počet atomů: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Počet otočných vazeb: %1" #~ msgid "Add constraint" #~ msgstr "Přidat omezení" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň jeden atom, aby mohlo být přidáno " #~ "omezení" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň dva atomy, aby mohlo být přidáno " #~ "vazební omezení" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň tři atomy, aby mohlo být přidáno " #~ "úhlové omezení" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň čtyři atomy, aby mohlo být přidáno " #~ "omezení zkroucení" #~ msgid "&Crystallography" #~ msgstr "&Krystalografie" #~ msgid "&Reduce" #~ msgstr "&Zmenšit" #~ msgid "&Length Unit" #~ msgstr "&Délková jednotka" #~ msgid "&Angle Unit" #~ msgstr "Ú&hlová jednotka" #~ msgid "&Coordinate Display" #~ msgstr "Zobrazení &souřadnic" #~ msgid "Coordinate &Preservation" #~ msgstr "&Zachování souřadnic" #~ msgid "&Matrix Display" #~ msgstr "Zobrazení &mřížky" #~ msgid "Hide &Editors" #~ msgstr "Skrýt &editory" #~ msgid "Show &Editors" #~ msgstr "Ukázat &editory" #~ msgid "Hide &Property Display" #~ msgstr "Skrýt zobrazení &vlastnosti" #~ msgid "Show &Property Display" #~ msgstr "Ukázat zobrazení &vlastnosti" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Typ mřížky: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Prostorová skupina: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Objem jednotkové buňky: %L1%2" #~ msgid "Undefined" #~ msgstr "Nedefinováno" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Trojklonná" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Jednoklonná" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Kosočtverečná" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Čtverečná" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Šesterečná" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Krychlová" #~ msgid "Paste Crystal" #~ msgstr "Vložit krystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Redukce-Niggli (odkysličení) se nezdařilo. Mřížka vstupní struktury, " #~ "která mate algoritmus pro redukci-Niggli. Zkuste malou odchylku " #~ "(přibližně 2 řády velikosti menší než povolená odchylka) na vstupní " #~ "mřížky a zkuste to znovu." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Buňku se po 1000 opakováních zmenšovacího algoritmu nepodařilo zmenšit. " #~ "Zastavuje se." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Otočit do obvyklého &natočení" #~ msgid "&Slab..." #~ msgstr "&Plátek..." #~ msgid "Perceive Space&group..." #~ msgstr "Vnímat prostorovou &skupinu..." #~ msgid "Set &Spacegroup..." #~ msgstr "Nastavit &prostorovou skupinu..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Vyplnit jednotkovou buňku" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Vyplnit jednotkovou buňku pomocí současné prostorové skupiny." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Redukovat na &Asymetrickou jednotku" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Odstranit atomy v ekvivalentní pozici (inverze Vyplnit jednotkovou " #~ "buňku)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Učinit krystal &souměrným" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Zmenšit buňku (&základní)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometr" #~ msgid "&Picometer" #~ msgstr "&Picometr" #~ msgid "&Degree" #~ msgstr "&Stupeň" #~ msgid "&Radian" #~ msgstr "&Radián" #~ msgid "Display &cartesian coordinates" #~ msgstr "Zobrazit &kartézské souřadnice" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Zachovat &kartézské souřadnice během změny buňky" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Zachovat &zlomkové souřadnice během změny buňky" #~ msgid "Display &cartesian matrix" #~ msgstr "Zobrazit &kartézskou mřížku" #~ msgid "Display &fractional matrix" #~ msgstr "Zobrazit &zlomkovou mřížku" #~ msgid "Display as &column vectors" #~ msgstr "Zobrazit jako vektory &sloupce" #~ msgid "&Crystal View Options..." #~ msgstr "Volby pro pohled na &krystal..." #~ msgid "Set Spacegroup" #~ msgstr "Nastavit prostorovou skupinu" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Pro tento dokument není nastavena prostorová skupina.\n" #~ "\n" #~ "Chcete prostorovou skupinu nastavit nyní?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Zjištěna prostorová skupina P1 - nelze učinit souměrným k této prostorové " #~ "skupině.\n" #~ "\n" #~ "Chcete to zkusit znovu s jinou povolenou odchylkou?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Zabalit atomy do buňky" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Zmenšit na titěrnou buňku" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Vybrat povolenou odchylku v nynějších kartézských jednotkách:" #~ msgid "Crystallography" #~ msgstr "Krystalografie" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Sestrojit a rozebrat pravidelné struktury." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Vstup není formátován jako jeden\n" #~ "z následujících podporovaných formátů:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formát VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Špatné složení" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Pole s totožnostmi musí obsahovat tentýž počet mezerou ohraničených " #~ "záznamů jako je to u POSCARu v řádku 6." #~ msgid "Cartesian Coordinates" #~ msgstr "Kartézské souřadnice" #~ msgid "Fractional Coordinates" #~ msgstr "Souřadnice vyjádřené zlomkem" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Buněčná matice (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Nastavit mřížku jednotkové buňky" #~ msgid "Set Unit Cell Params" #~ msgstr "Nastavit parametry jednotkové buňky" #~ msgid "Working..." #~ msgstr "Pracuje se..." #~ msgid "Build" #~ msgstr "Sestavit" #~ msgid "Cut Slab From Crystal" #~ msgstr "Uříznout plátek z krystalu" #~ msgid "No GLWidget?" #~ msgstr "Žádný GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Vyberte, prosím, jeden nebo více atomů." #~ msgid "Trajectory..." #~ msgstr "Dráha..." #~ msgid "Open chemical file format" #~ msgstr "Otevřít chemický souborový formát" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemické soubory (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Otevřít soubor s parametry" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemické soubory (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importovat trajektorie" #~ msgid "Import trajectory files" #~ msgstr "Importovat soubory s trajektoriemi" #~ msgid "Calculate Energy" #~ msgstr "Vypočítat energii" #~ msgid "Conformer Search..." #~ msgstr "Hledání konformačního izomeru..." #~ msgid "Constraints..." #~ msgstr "Omezení..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Pro tuto molekulu nelze ustavit nyní vybrané silové pole. Přepíná se na " #~ "UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimalizace uspořádání" #~ msgid "Systematic Rotor Search" #~ msgstr "Soustavné hledání bodu otáčení" #~ msgid "Random Rotor Search" #~ msgstr "Náhodné hledání bodu otáčení" #~ msgid "Weighted Rotor Search" #~ msgstr "Zatížené hledání bodu otáčení" #~ msgid "Genetic Algorithm Search" #~ msgstr "Hledání genetického algoritmu" #~ msgid "ForceField" #~ msgstr "Silové pole" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Vyladit molekuly a vytvořit konformační izomery (konformery) s pomocí " #~ "silových polí molekulární mechaniky" #~ msgid "&Vector Graphics..." #~ msgstr "Vektorová grafika..." #~ msgid "Common vector image formats" #~ msgstr "Běžné formáty vektorového obrázku" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Export vektorové grafiky" #~ msgid "Change H to Methyl" #~ msgstr "Zaměnit H za Metyl" #~ msgid "H to Methyl" #~ msgstr "H za Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Proměnit vodíkové atomy na methylové skupiny" #~ msgid "Add or remove hydrogens" #~ msgstr "Přidat nebo odstranit vodíkové atomy" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Vložit DNA/RNA řetězce" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Vložit oligopeptidovou posloupnost" #~ msgid "Invert Chirality" #~ msgstr "Obrátit chiralitu" #~ msgid "InvertChiral" #~ msgstr "Obrátit chiralitu" #~ msgid "Invert chiral centers" #~ msgstr "Obrátit chirální atomy" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "neznámý" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Odhadovaný dipólový moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Zobrazit obvyklé vlastnosti molekul." #~ msgid "Fetch by chemical name..." #~ msgstr "Natáhnout podle chemického názvu..." #~ msgid "Fetch from URL..." #~ msgstr "Natáhnout z internetové adresy (URL)..." #~ msgid "PDB Entry" #~ msgstr "Záznam PDB" #~ msgid "PDB entry to download." #~ msgstr "Záznam PDB ke stažení." #~ msgid "URL" #~ msgstr "Internetová adresa (URL)" #~ msgid "URL of molecule to download." #~ msgstr "Internetová adresa molekuly ke stažení." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Zadanou molekulu nelze nahrát: %1" #~ msgid "Network Fetch" #~ msgstr "Natáhnutí po síti" #~ msgid "Fetch molecule files over the network." #~ msgstr "Natáhnout soubory s molekulami přes síť." #~ msgid "OrcaExtension" #~ msgstr "OrcaRozšíření" #~ msgid " No vibration data found!" #~ msgstr " Nenalezena vibrační data!" #~ msgid "extended Geometry File" #~ msgstr "soubor s rozšířenou geometrií" #~ msgid "Read Orca Outputfile" #~ msgstr "Načíst Orca výstupní soubor" #~ msgid "no file found" #~ msgstr "soubor nenalezen" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Ve stavbě souboru je něco špatně" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Chyba ve struktuře souboru - jednotkové buňky" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Chyba ve výstupu infračervených spekter! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Chyba ve výstupu Ramanových spekter! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Chyba ve výstupu energií orbitalů! " #~ msgid "No geometry found in file!" #~ msgstr "Soubor neobsahuje geometrii!" #~ msgid "Could not read file!" #~ msgstr "Nemohu načíst soubor!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyzovat Orca výstup..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca testovací příklad" #~ msgid "Show Preview" #~ msgstr "Zobrazit náhled" #~ msgid "Hide Preview" #~ msgstr "Skrýt náhled" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpektra::Žádná vibrační data!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Uložit jako obrázek nakreslený POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Obrázkové soubory (*.png, *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nebyl zadán žádný název souboru." #~ msgid "Does not compute." #~ msgstr "Nebude se počítat." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Zvolil jste nepoužít přímé vykreslování pomocí POV-Ray a zrušení souboru " #~ "POV-Ray. To znamená, že nebude uložen žádný výstup. Jste si jist?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nelze zapisovat do souboru %1. Máte oprávnění pro zápis do tohoto " #~ "umístění?" #~ msgid "POV-Ray failed to start." #~ msgstr "Spuštění POV-Ray selhalo." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Spuštění POV-Ray selhalo. Cesta ke spouštěcímu souboru je nejspíš špatně " #~ "nastavena." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Vytvořit soubory POV-Ray a nakreslit je s pomocí programu příkazové řádky " #~ "POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Vlastnosti konformačního izomeru..." #~ msgid "Python Terminal" #~ msgstr "Python - terminál" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Vzájemně působící pythonovský skriptovací terminál" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Varování generátoru zadávací vrstvy Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Chcete zaktualizovat text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Abinit budou ztraceny." #~ msgid "Abinit_Input_Deck" #~ msgstr "Zadávací_vrstva_Abinit" #~ msgid "Abinit Running." #~ msgstr "Abinit běží." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit již běží. Počkejte, prosím, dokud nebude předchozí výpočet " #~ "dokončen." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit není nainstalován." #~ msgid "The abinit executable cannot be found." #~ msgstr "Spustitelný soubor pro Abinit nelze najít." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Abinit se nespustil. Snad je to tím, že není nainstalován správně." #~ msgid "Running Abinit calculation..." #~ msgstr "Běží výpočet Abinit..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit neběžel správně. Snad je to tím, že není nainstalován správně." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Varování tvůrce vstupního souboru Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Chcete obnovit text náhledu, a ztratit všechny změny provedené v " #~ "náhledové tabulce vstupního souboru Dalton?" #~ msgid "QM Matches" #~ msgstr "QM shody" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP výběr..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM výběr..." #~ msgid "You must make a selection!" #~ msgstr "Musíte provést výběr!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES převod není dostupný" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES převod formátu není dostupný!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Vytvořit vstupní soubory pro GAMESS balíček pro kvantovou chemii" #~ msgid "Advanced Settings Changed" #~ msgstr "Změna pokročilých nastavení" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Pokročilá nastavení byla změněna.\n" #~ "Zahodit změny?" #~ msgid "Advanced Settings Reset" #~ msgstr "Smazání pokročilých nastavení" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Jste si jisti, že chcete smazat pokročilá nastavení?\n" #~ "Všechny změny budou ztraceny!" #~ msgid "Basic Settings Reset" #~ msgstr "Smazání základních nastavení" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Jste si jisti, že chcete smazat základní nastavení?\n" #~ "Všechny změny budou ztraceny!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Varování tvůrce vstupního balíčku GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Chcete obnovit text náhledu, a ztratit všechny změny provedené v " #~ "náhledové tabulce vstupního balíčku GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Vstupní balíček GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Varování tvůrce Gaussovského vstupního balíčku" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Chcete zaktualizovat text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Gaussian budou ztraceny." #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussovský vstupní balíček" #~ msgid "Gaussian Running." #~ msgstr "Gaussovský je spuštěn." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussovský je již spuštěn. Počkejte, dokud nebude předchozí výpočet " #~ "dokončen." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussovský není zaveden." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 spustitelný soubor nelze najít." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 nebyl spuštěn. Snad není správně nainstalován." #~ msgid "Running Gaussian calculation..." #~ msgstr "Provádí se gaussovské výpočty..." #~ msgid "G03 Crashed." #~ msgstr "G03 havaroval." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussovský neběžel správně. Snad není správně nainstalován." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussův..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Upozornění nástrojem pro vytvoření vstupních souborů Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Varování tvůrce vstupního balíčku Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Chcete obnovit text náhledu, a ztratit všechny změny provedené v " #~ "náhledové tabulce vstupního balíčku Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Vstupní balíček Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC vstupní varování" #~ msgid "MOPAC Input Deck" #~ msgstr "Vstupní balíček MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC běží." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC je již spuštěn. Počkejte, dokud nebude předchozí výpočet dokončen." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC není zaveden." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC spustitelný soubor nelze najít." #~ msgid "MOPAC failed to start." #~ msgstr "Spuštění MOPAC selhalo." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC nebyl spuštěn. Snad není správně nainstalován." #~ msgid "Running MOPAC calculation..." #~ msgstr "Provádí se MOPAC výpočty..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC havaroval." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC neběžel správně. Snad není správně nainstalován." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Varování tvůrce NWChem vstupního balíčku" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy NWChem budou ztraceny." #~ msgid "NWChem Input Deck" #~ msgstr "Vstupní balíček NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Upozornění nástrojem pro vytvoření vstupních souborů Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Psi4 budou ztraceny." #~ msgid "Psi4 Input Deck" #~ msgstr "Nastavit vstup Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Varování tvůrce Q-Chem vstupního balíčku" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Q-Chem budou ztraceny." #~ msgid "QChem Input Deck" #~ msgstr "Vstupní balíček QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Varování generátoru zadávací vrstvy TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy TeraChem budou ztraceny." #~ msgid "TeraChem Input Deck" #~ msgstr "Zadávací vrstva TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Vybrat SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Přidat pojmenovaný výběr..." #~ msgid "SMARTS Selection" #~ msgstr "Výběr SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Vybrat vzor SMARTS" #~ msgid "There is no current selection." #~ msgstr "Nebylo nic vybráno." #~ msgid "Add Named Selection" #~ msgstr "Přidat pojmenovaný výběr" #~ msgid "Name cannot be empty." #~ msgstr "Název nesmí být prázdný" #~ msgid "There is already a selection with this name." #~ msgstr "Již existuje výběr s tímto názvem." #~ msgid "Selections" #~ msgstr "Výběry" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vybrat atomy, vazby, zbytky..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL tónovače..." #~ msgid "Open a vertex shader source file" #~ msgstr "Otevřít zdrojový soubor tónovače vrcholů" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Soubory tónovače vrcholů (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Otevřít zdrojový soubor tónovače fragmentů" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Soubory tónovače fragmentů (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Otevřít soubor s parametry tónovače" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Soubory s parametry tónovače (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL tónovače" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Nahrát a použít OpenGL 2.0 GLSL tónovače" #~ msgid "Intensity (arb. units)" #~ msgstr "Intenzita (arb. jednotky)" #~ msgid "Density of States (states/cell)" #~ msgstr "Hustota stavů (stavy/buňka)" #~ msgid "Density of States (states/atom)" #~ msgstr "Hustota stavů (stavy/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Hustota stavů (stavy/valenční elektron)" #~ msgid "Transmittance (%)" #~ msgstr "Propustnost (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance, schopnost vrstvy pohlcovat záření (%)" #~ msgid "No intensities" #~ msgstr "Žádná síla" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Údaje o vibracích v molekule, které jste nahrál, nemají jakýkoli údaj o " #~ "síle. Síly byly nastaveny kvůli zviditelnění na nahodilou hodnotu." #~ msgid "Activity" #~ msgstr "Činnost" #~ msgid "X Axis" #~ msgstr "Osa X" #~ msgid "Y Axis" #~ msgstr "Osa Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Na&stavení infračerveného spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Na&stavení NMR spektra" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&Nastavení UV" #~ msgid "&CD Settings" #~ msgstr "&Nastavení CD" #~ msgid "&Raman Settings" #~ msgstr "&Nastavení Ramana" #~ msgid "No data" #~ msgstr "Žádné údaje" #~ msgid "Dark" #~ msgstr "Tma" #~ msgid "Publication" #~ msgstr "Zveřejnění" #~ msgid "Handdrawn" #~ msgstr "Vlastnoruční" #~ msgid "New Scheme" #~ msgstr "Nový nákres" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potvrdit odstranění nákresu" #~ msgid "Really remove current scheme?" #~ msgstr "Skutečně odstranit nynější nákres?" #~ msgid "Change Scheme Name" #~ msgstr "Změnit název nákresu" #~ msgid "Enter new name for current scheme:" #~ msgstr "Zadat nový název pro nynější nákres:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Taby oddělené hodnoty (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Taby oddělené hodnoty" #~ msgid "Comma Separated Values" #~ msgstr "Čárkou oddělené hodnoty" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Importování spektra" #~ msgid "Unknown extension: %1" #~ msgstr "Neznámá přípona: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (řízení)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spektrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspektrum)" #~ msgid "Data Format" #~ msgstr "Formát dat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formát:" #~ msgid "Load Spectral Data" #~ msgstr "Nahrát spektrální data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Soubor CD Turbomole je naformátován nesprávně: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG (Portable Network Graphics)" #~ msgid "jpeg" #~ msgstr "Jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF (Tagged Image File Format)" #~ msgid "Windows Bitmap" #~ msgstr "BMP (Windows Bitmap)" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmapa" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmapa" #~ msgid "Save Spectra Image" #~ msgstr "Uložit obraz spektra" #~ msgid "Image successfully written to %1" #~ msgstr "Obrázek byl úspěšně zapsán do %1" #~ msgid "&Advanced <<" #~ msgstr "&Pokročilé <<" #~ msgid "&Advanced >>" #~ msgstr "&Pokročilé >>" #~ msgid "&Spectra..." #~ msgstr "&Spektra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Zviditelnit údaje o spektru z výpočtů kvantové chemie" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Rozbor vibrací" #~ msgid "No vibrational displacements exist." #~ msgstr "Neexistují žádné vibrační posuny." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Zviditelnit vibrační režimy z výpočtů kvantové chemie" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Třídí se %1 vibrace podle kmitočtu..." #~ msgid "Super Cell Builder..." #~ msgstr "Stavitel superbuněk..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Tento dokument je nyní osamělou molekulou. Potřebujete vytvořit " #~ "jednotkovou buňku." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Sestavit a zobrazit krystalografické superbuňky" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitaly molekul..." #~ msgid "Orbitals" #~ msgstr "Orbitaly" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nic" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronová hustota" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Chyba- nedefinovaný typ" #~ msgid "Calculating VdW Cube" #~ msgstr "Počítá se krychle VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Počítá se MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Povrchy s elektrostatickým potenciálem ještě nejsou podporovány" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Počítají se orbitaly molekul a jiné povrchy" #~ msgid "&Nanotube Builder..." #~ msgstr "&Stavitel nanotrubic..." #~ msgid "Nanotube Builder" #~ msgstr "Stavitel nanotrubic" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Neplatné vymezení nanotrubice" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Požadovanou nanotrubici nelze postavit z následujícího důvodu:\n" #~ "\n" #~ "Buď n nebom musí být větší než 1." #~ msgid "Insert Nanotube" #~ msgstr "Vložit nanotrubici" #~ msgid "SWCNT Builder" #~ msgstr "Stavitel SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Postavit zeď z uhlíkových nanotrubic." #~ msgid "Building..." #~ msgstr "Staví se..." #~ msgid "Display point group symmetry." #~ msgstr "Zobrazit bodovou grupu symetrie" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL prvek nebyl pro vytvoření videa správně spuštěn" #~ msgid "GL widget has no molecule" #~ msgstr "GL prvek nemá molekulu" #~ msgid "Building video " #~ msgstr "Sestavuje se video " #~ msgid "Could not run mencoder." #~ msgstr "Nelze spustit mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Nastavit poměr stran" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Nynější scéna Avogadra je %1x%2 pixelů velké a má tak poměr stran %3.\n" #~ "Můžete tuto hodnotu zachovat, například, jestliže je vaším záměrem použít " #~ "POV-Ray\n" #~ "pro vytvoření obrázku o velikosti %4x1000 pixelů, nebo můžete zadat " #~ "jakoukoli jinou kladnou hodnotu,\n" #~ "například 1, jestliže je vaším záměrem použít POV-Ray pro vytvoření " #~ "čtvercového obrázku, jako je 1000x1000 pixelů." #~ msgid "Save VRML rendered files" #~ msgstr "Uložit renderované VRML soubory" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Připojit" #~ msgid "Disconnect" #~ msgstr "Odpojit" #~ msgid "&WiiTrack" #~ msgstr "&WiiStopa" #~ msgid "Wii Tracking" #~ msgstr "Wii sledování" #~ msgid "Track motion using Wii remotes" #~ msgstr "Sledovat pohyb s pomocí Wii dálkového ovládání" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Neplatná souvislost OpenGL.\n" #~ "Buď je něco úplně v nepořádku v nastavení OpenGL (můžete spustit nějakou " #~ "OpenGL aplikaci?), nebo jste našel chybu v programu." #~ msgid "Debug Information" #~ msgstr "Informace o vyhledávání a odstraňování chyb" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Velikost zobrazení: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomy: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 mimo dosah." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Souborový typ '%1' není podporován pro čtení." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Souborový typ pro soubor '%1' není podporován pro čtení." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Čtení molekuly s indexem %1 ze souboru '%2' selhalo." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "nahraditMolekulu: index %1 mimo dosah." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Souborový typ '%1' není podporován pro zápis." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Souborový typ pro soubor '%1' není podporován pro zápisí." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Nepodařilo se otevřít soubor '%1' pro čtení." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Nahrazení molekuly s indexem %1 ze souboru '%2' selhalo." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Soubor %1 nelze otevřít pro čtení." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Soubor %1 nelze otevřít pro zápis." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Uložení molekulového souboru selhalo - původní soubor nelze přejmenovat." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Uložení molekulového souboru selhalo - novýí soubor nelze přejmenovat." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Uložení molekulového souboru selhalo - starý soubor nelze odstranit." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Zápis molekuly do souboru '%1' selhal. Selhala funkce OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Soubor %1 nelze otevřít pro zápis." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Zápis konformačních izomerů do souboru %1 se nezdařil." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Neznámý pythonovský stroj" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: Zkouška " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - Skript nemá stanovenu žádnou třídu \"Stroj\"" #~ msgid " - no module" #~ msgstr " - žádný modul" #~ msgid "Unknown Python Extension" #~ msgstr "Neznámé pythonovské rozšíření" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: Zkouška " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - Skript nemá stanovenu žádnou třídu \"Rozšíření\"" #~ msgid "Unknown Python Tool" #~ msgstr "Neznámý pythonovský nástroj" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: Zkouška " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - Skript nemá stanovenu žádnou třídu \"Nástroj\"" #~ msgid "Conformer %1" #~ msgstr "Konformační izomer %1" #~ msgid "Tools" #~ msgstr "Nástroje" #~ msgid "Align:" #~ msgstr "Zarovnání:" #~ msgid "Everything" #~ msgstr "Vše" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Nástroj pro automatickou optimalizaci\n" #~ "\n" #~ "Funkce pro pohyb při klepnutí do prázdného prostoru.\n" #~ "Levé tlačítko myši: \tOtočit prostor\n" #~ "Prostřední tlačítko myši: Zvětšit prostor\n" #~ "Pravé tlačítko myši: \tPosunout prostor\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu\n" #~ "\n" #~ "Při běhu:\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte atomy pro jejich přesun." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Automatické vyladění: Nelze nastavit silové pole..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Automatické vyladění: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Omezení: %1" #~ msgid "Steps per Update:" #~ msgstr "Kroky při obnovení:" #~ msgid "Algorithm:" #~ msgstr "Algoritmus:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molekulární dynamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekulární dynamika (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Pevné atomy jsou pohyblivé" #~ msgid "Ignored atoms are movable" #~ msgstr "Neuvažované atomy jsou pohyblivé" #~ msgid "AutoOpt Molecule" #~ msgstr "Automatické vyladění molekuly" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatická optimalizace uspořádání molekul" #~ msgid "AutoOptimization Settings" #~ msgstr "Nastavení automatické optimalizace" #~ msgid "Auto Rotation Tool" #~ msgstr "Nástroj pro automatické otáčení" #~ msgid "x rotation:" #~ msgstr "Otáčení kolem osy x:" #~ msgid "x rotation" #~ msgstr "Otáčení kolem osy x" #~ msgid "y rotation:" #~ msgstr "Otáčení kolem osy y:" #~ msgid "y rotation" #~ msgstr "Otáčení kolem osy y" #~ msgid "z rotation:" #~ msgstr "Otáčení kolem osy z:" #~ msgid "z rotation" #~ msgstr "Otáčení kolem osy z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatické otáčení molekul" #~ msgid "AutoRotate Settings" #~ msgstr "Nastavení automatického otáčení" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Délka vazby: %L1" #~ msgid " Show Angles" #~ msgstr " Ukázat úhly" #~ msgid "Snap-to Threshold: " #~ msgstr "Zapadnout do prahu " #~ msgid "Bond Centric Manipulate" #~ msgstr "Úpravy zaměřené na vazbu" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Úprava délek vazby, úhlů a zkroucení" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Nastavení úprav zaměřených na vazbu" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Vzdálenost (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Vzdálenost (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dvoustěnný úhel: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Vzdálenost(i):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Změřit délky vazeb, úhly a dvoustěnné úhly" #~ msgid "Draw Bond" #~ msgstr "Nakreslit vazbu" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Nakreslit a upravit atomy a vazby" #~ msgid "Draw Settings" #~ msgstr "Nastavení kreslení" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Přesunout, otočit a srovnat atomy a fragmenty" #~ msgid "Manipulate Settings" #~ msgstr "Nastavení úprav" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Přesunout, otočit a přibližovat a oddalovat současný pohled" #~ msgid "Navigate Settings" #~ msgstr "Nastavení pohybu" #~ msgid "Selection Mode:" #~ msgstr "Režim výběru:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Vazba" #~ msgid "Residue" #~ msgstr "Zbytek" #~ msgid "Add Center of Atoms" #~ msgstr "Přidat střed atomů" #~ msgid "Change color of the atom" #~ msgstr "Změnit barvu atomu" #~ msgid "Change label of the atom" #~ msgstr "Změnit štítek u atomu" #~ msgid "Change label of the bond" #~ msgstr "Změnit štítek u vazby" #~ msgid "Change radius of the atom" #~ msgstr "Změnit poloměr atomu" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nový poloměr, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vybrat atomy, zbytky a molekuly" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Délka vazby" #~ msgid "Dihedral Angle" #~ msgstr "Dvoustěnný úhel" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor matice Z..." #~ msgid "Z-Matrix" #~ msgstr "Matice Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Vytvořit/upravit matici Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Nastavení matice Z" #~ msgid "Color residues by:" #~ msgstr "Barva zbytků podle:" #~ msgid "Hydrophobicity" #~ msgstr "Hydrofobie" #~ msgid "Axes:" #~ msgstr "Osy:" #~ msgid "Cartesian Axes" #~ msgstr "Kartézsk osy" #~ msgid "Orthogonal Axes" #~ msgstr "Pravoúhlé osy" #~ msgid "Axis 1:" #~ msgstr "Osa 1:" #~ msgid "Axis 2:" #~ msgstr "Osa 2:" #~ msgid "Axis 3:" #~ msgstr "Osa 3:" #~ msgid "Origin:" #~ msgstr "Počátek:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Zachovat vektorové normy" #~ msgid "Atom Radius:" #~ msgstr "Poloměr atomu:" #~ msgid "Bond Radius:" #~ msgstr "Poloměr vazby" #~ msgid "Shape" #~ msgstr "Předmět" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Smyčka" #~ msgid "Dipole:" #~ msgstr "Dipól:" #~ msgid "Custom Vector" #~ msgstr "Vlastní vektor" #~ msgid "Custom:" #~ msgstr "Vlastní:" #~ msgid "Cut-off radius:" #~ msgstr "Nejzazší poloměr:" #~ msgid "Cut-off angle:" #~ msgstr "Nejzazší úhel" #~ msgid "Rendering Engine:" #~ msgstr "Vykreslovací stroj:" #~ msgid "TextRenderer" #~ msgstr "Kreslič textu" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & číslo ve skupině" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & číslo atomu" #~ msgid "Partial charge" #~ msgstr "Částečný náboj" #~ msgid "Residue number" #~ msgstr "Číslo zbytku" #~ msgid "Custom data" #~ msgstr "Vlastní data" #~ msgid "Change Font" #~ msgstr "Změnit písmo" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Posun štítku:" #~ msgid "Bond length" #~ msgstr "Délka vazby" #~ msgid "Bond number" #~ msgstr "Číslo vazby" #~ msgid "Bond order" #~ msgstr "Pořadí vazeb" #~ msgid "Lines" #~ msgstr "Čáry" #~ msgid "Radius:" #~ msgstr "Poloměr:" #~ msgid "Include Nitrogens" #~ msgstr "Zahrnout dusíkové atomy" #~ msgid "VdW Opacity:" #~ msgstr "Neprůhlednost VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Vykreslit:" #~ msgid "Fill" #~ msgstr "Výplň" #~ msgid "Points" #~ msgstr "Body" #~ msgid "Draw Box:" #~ msgstr "Rámeček:" #~ msgid "Mapped Colors" #~ msgstr "Zobrazené barvy" #~ msgid "Positive" #~ msgstr "Positivní" #~ msgid "Negative" #~ msgstr "Negativní" #~ msgid "Show Atoms" #~ msgstr "Ukázat atomy" #~ msgid "Animate Trajectory" #~ msgstr "Animovat dráhu" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Smyčka" #~ msgid "Save as .avi..." #~ msgstr "Uložit jako .avi..." #~ msgid "Angstroms" #~ msgstr "Angströmův" #~ msgid "Bohrs" #~ msgstr "Bohrův" #~ msgid "Fractional" #~ msgstr "Zlomkový" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, pouze souřadnice" #~ msgid "GAMESS Input #2" #~ msgstr "Vstup GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Vstup Priroda" #~ msgid "Apply Changes" #~ msgstr "Použít změny" #~ msgid "Cut All" #~ msgstr "Vyjmout vše" #~ msgid "Paste to the End" #~ msgstr "Vložit na konec" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Zde vložte nebo upravte " #~ "atomické souřadnice. Můžete vložit téměř jakoukoli část textu, která " #~ "obsahuje souřadnice

" #~ msgid "(None)" #~ msgstr "(Žádný)" #~ msgid "Sort by " #~ msgstr "Třídit podle " #~ msgid "Number of atoms:" #~ msgstr "Počet atomů" #~ msgid "Number of rotatable bonds:" #~ msgstr "Počet otočitelných vazeb" #~ msgid "Ignore Atom" #~ msgstr "Nevšímat si atomu" #~ msgid "Fix Atom" #~ msgstr "Upevnit atom" #~ msgid "Fix Atom X" #~ msgstr "Upevnit atom X" #~ msgid "Fix Atom Y" #~ msgstr "Upevnit atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Upevnit atom Z" #~ msgid "Torsion angle" #~ msgstr "Úhel zkroucení" #~ msgid "Save" #~ msgstr "Uložit" #~ msgid "Load" #~ msgstr "Nahrát" #~ msgid "Atomic &identites:" #~ msgstr "Atomické &totožnosti:" #~ msgid "Surface Slab Builder" #~ msgstr "Stavitel plátku povrchu" #~ msgid "Plane:" #~ msgstr "Rovina:" #~ msgid "&Miller Indices:" #~ msgstr "&Millerovy indexy:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Varování: Použijte ne-nulové Millerovy indexy" #~ msgid "Width (x)" #~ msgstr "Šířka (x)" #~ msgid "Width (y)" #~ msgstr "Šířka (y)" #~ msgid "Height (z)" #~ msgstr "Výška (z)" #~ msgid "length" #~ msgstr "Délka" #~ msgid "cell repeats" #~ msgstr "Opakování buněk" #~ msgid "&Translate " #~ msgstr "&Přenést " #~ msgid "by arbitrary vector" #~ msgstr "podle libovolného vektoru" #~ msgid "selected atom to unit cell center" #~ msgstr "vybraný atom do středu jednotkové buňky" #~ msgid "Translation vector:" #~ msgstr "Vektor posunu souřadnic:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vektorové jednotky:" #~ msgid "Cartesian" #~ msgstr "Kartézský" #~ msgid "&Translate" #~ msgstr "&Posunout souřadnice" #~ msgid "Crystal View Options" #~ msgstr "Volby pro pohled na krystal" #~ msgid "Unit Cell Repeats:" #~ msgstr "Opakování jednotkové buňky:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Kreslit jednotkové buňky?" #~ msgid "One" #~ msgstr "Jeden" #~ msgid "All" #~ msgstr "Všechno" #~ msgid "Color..." #~ msgstr "Barva..." #~ msgid "View Along:" #~ msgstr "Pohled podél:" #~ msgid "Default View" #~ msgstr "Výchozí zobrazení" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Millerovy indexy" #~ msgid "File Import..." #~ msgstr "Import souboru..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Pokusit se rozpoznat vazby?" #~ msgid "Setup Force Field" #~ msgstr "Nastavit silové pole" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Počet kroků" #~ msgid "Algorithm" #~ msgstr "Algoritmus" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Pravotočivá (alfa) šroubovice (alfa helix)" #~ msgid "Beta Sheet" #~ msgstr "Beta list" #~ msgid "Pi Helix" #~ msgstr "Šroubovice Pi" #~ msgid "Phi:" #~ msgstr "Fí:" #~ msgid "Psi:" #~ msgstr "Psí:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Počet zbytků:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energie (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipólový moment (D):" #~ msgid "select Fragment" #~ msgstr "vybrat Fragment" #~ msgid "Comment" #~ msgstr "Komentář" #~ msgid "Frequency" #~ msgstr "Frekvence" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Formát" #~ msgid "z-Matrix" #~ msgstr "z-matice" #~ msgid "Advanced" #~ msgstr "Pokročilé" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Corr. ECP" #~ msgstr "Korigované ECP" #~ msgid "MOs" #~ msgstr "MO" #~ msgid "Small" #~ msgstr "Malé" #~ msgid "Damping" #~ msgstr "Tlumení" #~ msgid "Factor" #~ msgstr "Faktor" #~ msgid "Accuracy" #~ msgstr "Přesnost" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "SCF Type" #~ msgstr "SCF typ" #~ msgid "Grid" #~ msgstr "Mřížka" #~ msgid "POV-Ray Export" #~ msgstr "Export do POV-Ray" #~ msgid "Select..." #~ msgstr "Vybrat..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Vyhlazování použít pro celou scénu" #~ msgid "Antialias" #~ msgstr "Vyhlazování" #~ msgid "Set the background color to be transparent" #~ msgstr "Nastavit pozadí jako průhledné" #~ msgid "Alpha transparency" #~ msgstr "Alfa průhlednost" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Vykreslit molekulu přímo použitím POV-Ray pro příkazovou řádku" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Uložit zdrojový kód POV-Ray po dokončení vykreslení scény" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Uložit zdrojový kód POV-Ray po vykreslení scény" #~ msgid "Path:" #~ msgstr "Cesta:" #~ msgid "Abinit Input" #~ msgstr "Vstup Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartézský (Angstrom)" #~ msgid "Reduced" #~ msgstr "Zmenšený" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Ukončení rovinné vlny (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance na síly (Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Největší roztažení mřížky" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "Posun k-bodu:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Počet pásem:" #~ msgid "# k-point shifts:" #~ msgstr "# Posuny k-bodů:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Dvojitá mřížka PW ukončení (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Schéma obsazení:" #~ msgid "SCF tolerance type:" #~ msgstr "Typ tolerance SCF:" #~ msgid "Wave Function norm" #~ msgstr "Průměrná hodnota vlnové funkce" #~ msgid "Total Potential" #~ msgstr "Celkový potenciál" #~ msgid "Relative Force" #~ msgstr "Poměrná síla" #~ msgid "1 - semiconducting" #~ msgstr "Poměrná síla" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Studený nátěr (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussovský nátěr" #~ msgid "Smearing width (Ha):" #~ msgstr "Šířka nátěru (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - žádné pohybující se ionty " #~ msgid "1 - viscous damping" #~ msgstr "1 - vazké tlumení" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS s energií" #~ msgid "# Geometrical time steps:" #~ msgstr "# Pravidelné časové kroky:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Vyhlazování pohybové energie (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Počítá se..." #~ msgid "Dalton Input" #~ msgstr "Vstup Dalton" #~ msgid "Basics" #~ msgstr "Základy" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Přidá to, co napíšete do řádku s názvem u vstupního souboru pro vaše\n" #~ "vlastní informativní účely." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-styl" #~ msgid "Jensen's polarization consistent" #~ msgstr "Soudržné s Jensenovou polarizací" #~ msgid "Dunning's correlation consistent" #~ msgstr "Soudržné s Dunningovou souvztažností" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Hlavní vzájemně závislé funkce" #~ msgid "Diffuse functions" #~ msgstr "Difúzní funkce" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Přímo" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Spustit souběžně tam, kde je to možné. Toto je možné jen pro\n" #~ "vlnové funkce SCF a výpočty DFT. Dalton v současném vydání\n" #~ "podporuje pouze MPI a musí se sestavit a nainstalovat správně.\n" #~ "Počet uzlů se nastavuje pomocí volby \"-N #\" při provádění \"dalton\" " #~ "skriptu." #~ msgid "Parallel" #~ msgstr "Souběžně" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Přesný popis mřížky" #~ msgid "Partitioning Scheme:" #~ msgstr "Nákres rozdělení:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (původní)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kvalita mřížky:" #~ msgid "coarse" #~ msgstr "hrubá" #~ msgid "normal" #~ msgstr "obvyklá" #~ msgid "fine" #~ msgstr "dobrá" #~ msgid "ultrafine" #~ msgstr "hodně dobrá" #~ msgid "Radial Scheme:" #~ msgstr "Paprskovitý nákres:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Ukázat všechny funkce" #~ msgid "Property:" #~ msgstr "Vlastnost:" #~ msgid "Polarizability" #~ msgstr "Polarizabilita" #~ msgid "Frequency Dependent" #~ msgstr "Závislé na kmitočtu" #~ msgid "No. excitations:" #~ msgstr "Počet budičů:" #~ msgid "EFP Matches" #~ msgstr "EFP shody" #~ msgid "Group Label:" #~ msgstr "Skupinový popisek:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Pokročilá nastavení" #~ msgid "Hessian" #~ msgstr "Hesenská matice" #~ msgid "Stat Point" #~ msgstr "Statistický bod" #~ msgid "System" #~ msgstr "Systém" #~ msgid "MO Guess" #~ msgstr "Odhad MO" #~ msgid "Misc" #~ msgstr "Různé" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funkce rozdělení (polarizace) těžkých atomů:" #~ msgid "Read" #~ msgstr "Číst" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Rozptýlit S obal na těžkých atomech" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Rozptýlit L obal na těžkých atomech" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "" #~ "Zdvojené Zeta mocenství (valence, schopnost reagovat/vytvářet vazby)" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "" #~ "Ztrojené Zeta mocenství (valence, schopnost reagovat/vytvářet vazby)" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA mocenství (valence)" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt mocenství (valence)" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Typ:" #~ msgid "Default" #~ msgstr "Výchozí" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funkce rozdělení (polarizace) těžkých atomů:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funkce rozdělení (polarizace) lehkých atomů:" #~ msgid "Polar:" #~ msgstr "Polární" #~ msgid "Max SCF Iterations:" #~ msgstr "Největší možné SCF opakování (iterace):" #~ msgid "Gradient" #~ msgstr "Přechod" #~ msgid "Trudge" #~ msgstr "Namáhavá cesta" #~ msgid "Saddle Point" #~ msgstr "Sedlový bod" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremála přechodu" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Přechodové momenty způsobující záření" #~ msgid "Spin Orbit" #~ msgstr "" #~ "Spin Orbit (spin = veličina charakterizující moment hybnosti částic)" #~ msgid "Finite Electric Field" #~ msgstr "Konečné elektrické pole" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Celková optimalizace" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO optimalizace" #~ msgid "Raman Intensities" #~ msgstr "Ramanovy síly" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nic (CI)" #~ msgid "Foster-Boys" #~ msgstr "Fosterovi bratři" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Typ:" #~ msgid "Localization Method:" #~ msgstr "Způsob určení polohy" #~ msgid "Exec Type:" #~ msgstr "Typ provedení" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. determinanta" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Obsazení více aktivních prostorů omezeno" #~ msgid "CI Singles" #~ msgstr "Jednoduché CI" #~ msgid "Full Second Order CI" #~ msgstr "CI zcela druhého řádu" #~ msgid "General CI" #~ msgstr "Obecné CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Napřímené CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC se zdvojením" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC s jednotlivým a zdvojeným" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Obvyklý běh" #~ msgid "Check" #~ msgstr "Kontrola" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Náklad molekul:" #~ msgid "Run Type:" #~ msgstr "Typ běhu:" #~ msgid "Use MP2" #~ msgstr "Použít MP2" #~ msgid "Use DFT" #~ msgstr "Použít DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Proměnné matice Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Pořadí hlavních os:" #~ msgid "Coordinate Type:" #~ msgstr "Typ souřadnic:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Jedinečné karteziánské souřadnice." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrantovy vnitřní části" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC matice Z" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Během výpočtů použít souměrnost" #~ msgid "Point Group:" #~ msgstr "Skupina bodů:" #~ msgid "Minutes" #~ msgstr "Minuty" #~ msgid "Hours" #~ msgstr "Hodiny" #~ msgid "Days" #~ msgstr "Dny" #~ msgid "Weeks" #~ msgstr "Týdny" #~ msgid "Years" #~ msgstr "Roky" #~ msgid "Millenia" #~ msgstr "Tisíciletí" #~ msgid "MegaWords" #~ msgstr "Ohromná slova" #~ msgid "MegaBytes" #~ msgstr "Megabajtů" #~ msgid "GigaWords" #~ msgstr "Obrovská slova" #~ msgid "GigaBytes" #~ msgstr "GigaBajty" #~ msgid "Force Parallel Methods" #~ msgstr "Vynutit obdobné způsoby" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Po přerušení vytvořit \"hlavní\" soubor" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Paměť:" #~ msgid "Diagonalization Method:" #~ msgstr "Způsob diagonalizace matice:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Obdobný typ rozdělení zatížení" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Smyčka" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Další hodnota" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Pro sdělení použít vnější znázornění dat" #~ msgid "Initial Guess:" #~ msgstr "Počáteční předpoklad:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO přečten ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO uložen (DICTNRY)" #~ msgid "Skip" #~ msgstr "Přeskočit" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Otočit alpha a beta orbitaly" #~ msgid "Print the Initial Guess" #~ msgstr "Ukázat počáteční předpoklad" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Uživatelské rozhraní GAMESS k jiným kódům" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Vynutit jednu zkoušku vykonání běhu" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (verze UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvát s vodou" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Vytvořit přirozené UHF orbitaly" #~ msgid "Direct SCF" #~ msgstr "Přímé SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Vypočítat pouze změnu ve Fockově matici" #~ msgid "Slater exchange" #~ msgstr "Slaterova výměna" #~ msgid "Becke 1988 exchange" #~ msgstr "Výměna Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) vzájemná souvislost" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr vzájemná souvislost" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slaterova výměna + VWN vzájemná souvislost" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE výměna + VWN5 vzájemná souvislost" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE výměna + LYP vzájemná souvislost" #~ msgid "Gill 1996 exchange" #~ msgstr "Výměna Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Výměna Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Vzrůstající vzájemná souvislost jednoho parametru" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) vzájemná souvislost" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP vzájemná souvislost" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE výměna + OP vzájemná souvislost" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL výměna + VWN5 vzájemná souvislost" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL výměna + LYP vzájemná souvislost" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE výměna + VWN6 vzájemná souvislost" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE výměna + LYP vzájemná souvislost" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE výměna + OP vzájemná souvislost" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF a BECKE výměna + LYP vzájemná souvislost" #~ msgid "Grid-Free" #~ msgstr "Volná mřížka" #~ msgid "DFT Functional:" #~ msgstr "Funkce DFT:" #~ msgid "AO Integral Storage" #~ msgstr "AO celkové uložiště" #~ msgid "Duplicated on Each Node" #~ msgstr "Zdvojeno na každém uzlu" #~ msgid "Distributed Across All Nodes" #~ msgstr "Rozmístěno na všechny uzly" #~ msgid "words" #~ msgstr "slova" #~ msgid "Compute MP2 Properties" #~ msgstr "Vypočítat vlastnosti MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Přerušení zachování integrálu" #~ msgid "Use Localized Orbitals" #~ msgstr "Použít umístěné orbitaly" #~ msgid "# of Core Electrons:" #~ msgstr "# jaderných elektronů:" #~ msgid "Transformation Method" #~ msgstr "Způsob přeměny" #~ msgid "Two Phase Bin Sort" #~ msgstr "Dvoustupňové dvojkové třídění" #~ msgid "Segmented Transformation" #~ msgstr "Přeměna rozdělená na části" #~ msgid "Numeric" #~ msgstr "Číselná" #~ msgid "Double Differenced Hessian" #~ msgstr "Dvojitě rozlišená Hessenská matice" #~ msgid "Print Internal Force Constants" #~ msgstr "Ukázat vnitřní stálé hodnoty síly" #~ msgid "Displacement Size:" #~ msgstr "Velikost posunutí:" #~ msgid "Purify Hessian" #~ msgstr "Vyčistit Hessenskou matici" #~ msgid "Frequency Scale Factor:" #~ msgstr "Činitel násobení kmitočtu:" #~ msgid "bohrs" #~ msgstr "Bohr" #~ msgid "Initial Hessian" #~ msgstr "Počáteční Hessenská matice" #~ msgid "Guess (+ define)" #~ msgstr "Odhadovat (+ určit)" #~ msgid "Read (from $HESS)" #~ msgstr "Číst (z $HESS)" #~ msgid "Update Step Size" #~ msgstr "Obnovit velikost kroku" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Ukázat orbitaly u každého opakování (iterace)" #~ msgid "Stationary Point" #~ msgstr "Pevný bod" #~ msgid "Initial:" #~ msgstr "Výchozí:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Racionální optimalizace funkcí" #~ msgid "Quadratic Approximation" #~ msgstr "Přibližná hodnota kvadratické rovnice" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (jakoby-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimalizace s omezením" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Znovu spočítat všechny Hessenské matice:" #~ msgid "Follow Mode:" #~ msgstr "Režim následku:" #~ msgid "GAMESS-UK Input" #~ msgstr "Vstup GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Vstup GAMESS-UK vytvořený Avogadrem" #~ msgid "Transition State Search" #~ msgstr "Hledání změny stavu" #~ msgid "Basis:" #~ msgstr "Základ:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matice Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "V přímém režimu nejsou integrály ukládány na disk, ale jsou spočítány " #~ "znovu podle potřeby.\n" #~ "U moderních systémů s rychlými procesory a pomalými disky je přímý režim " #~ "často rychlejší." #~ msgid "Run in direct mode:" #~ msgstr "Pracovat v přímém režimu:" #~ msgid "Gaussian Input" #~ msgstr "Gaussovský vstup" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standardní" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Kontrolní bod:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matice Z (pevná)" #~ msgid "MOLPRO Input" #~ msgstr "Vstup MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Verze Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Vstup MOPAC" #~ msgid "Quartet" #~ msgstr "Čtveřice" #~ msgid "Quintet" #~ msgstr "Pětice" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Vstup NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Vstup Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Zadání TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Neomezeno" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "Ne" #~ msgid "yes" #~ msgstr "Ano" #~ msgid "Dispersion:" #~ msgstr "Rozptyl:" #~ msgid "Load Shaders" #~ msgstr "Nahrát tónovače" #~ msgid "Shader Name:" #~ msgstr "Název pro tónovač:" #~ msgid "Vertex Shader:" #~ msgstr "Vrcholový tónovač:" #~ msgid "Fragment Shader:" #~ msgstr "Tónovač fragmentů:" #~ msgid "Assign Shader" #~ msgstr "Přiřadit tónovač" #~ msgid "Display Type:" #~ msgstr "Typ zobrazení:" #~ msgid "Font:" #~ msgstr "Písmo:" #~ msgid "Change Font..." #~ msgstr "Změnit písmo..." #~ msgid "Foreground:" #~ msgstr "Popředí:" #~ msgid "New..." #~ msgstr "Nový..." #~ msgid "Rename..." #~ msgstr "Přejmenovat..." #~ msgid "&Schemes:" #~ msgstr "&Nákresy:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Šířka:" #~ msgid "&Height" #~ msgstr "&Výška:" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "palec" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Použít vyladěnou hodnotu velikosti písma namísto hodnoty určené podle " #~ "nějaké šablony (velikosti bodů se u obrazovky na obrázky nepřeměňují " #~ "dobře!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Automaticky upravit ve&likost písma" #~ msgid "Spectra Tab" #~ msgstr "Karta spekter" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussovská šířka:" #~ msgid "&Label peaks" #~ msgstr "&Vrcholy popisků" #~ msgid "Rotatory Strength type:" #~ msgstr "Typ točivé síly:" #~ msgid "Energy units:" #~ msgstr "Jednotky měření:" #~ msgid "Density units" #~ msgstr "Jednotky hustoty" #~ msgid "Fermi Energy: " #~ msgstr "Fermiho energie: " #~ msgid "States / Cell" #~ msgstr "Stavy/Buňka" #~ msgid "States / Atom" #~ msgstr "Stavy/Atom" #~ msgid "States / Valence electron" #~ msgstr "Stavy/valenční elektron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermiho energie při nule" #~ msgid "Scale integrated DOS" #~ msgstr "Škálovat začleněný DOS" #~ msgid "Show integrated DOS" #~ msgstr "Ukázat začleněný DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Jednotky na ose y:" #~ msgid "Scaling Type:" #~ msgstr "Typ změny měřítka:" #~ msgid "Relative" #~ msgstr "Poměrný" #~ msgid "Laser Wavenumber:" #~ msgstr "Vlnočet laseru:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Jádro:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussovská &šířka:" #~ msgid "Reset &Plot Axes" #~ msgstr "Obnovit osy ýnákresu" #~ msgid "Label Peaks:" #~ msgstr "Vrcholy popisků" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekulární vibrace" #~ msgid "Filter: " #~ msgstr "Filtr: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Činnost (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Ukázat spektra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "Větší chvění kmitočtu ukáže rychlejší pohyb" #~ msgid "Animation speed set by frequency" #~ msgstr "Rychlost animace nastavená podle kmitočtu" #~ msgid "Display force &vectors" #~ msgstr "Zobrazit &vektory síly" #~ msgid "&Normalize displacements" #~ msgstr "&Normalizovat posuvy" #~ msgid "&Recalculate All" #~ msgstr "&Spočítat vše znovu" #~ msgid "Default &Quality:" #~ msgstr "Výchozí &kvalita:" #~ msgid "Show occupied orbitals first" #~ msgstr "Ukázat obsazené orbitaly jako první" #~ msgid "Limit orbital precalculations to " #~ msgstr "Omezit předvýpočty orbitalů na " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitaly okolo HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Typ povrchu:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Nízký" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Střední" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Vysoký" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Velmi vysoký" #~ msgid "Isosurface cutoff value" #~ msgstr "Hodnota přerušení isopovrchu" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Typ zobrazení vstupu:" #~ msgid "New Display" #~ msgstr "Nové zobrazení" #~ msgid "Advanced..." #~ msgstr "Pokročilé..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "Dé&lka:" #~ msgid "Uni&t:" #~ msgstr "`Jedno&tka:" #~ msgid "periodic units" #~ msgstr "Periodické jednotky" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "Bohrova poloměru" #~ msgid "nanometers" #~ msgstr "nanometrů" #~ msgid "&Cap with hydrogen" #~ msgstr "&Přikrýt vodíkem" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Toto může chvíli trvat. Pokud by byly potřeba pouze souřadnice\n" #~ "atomů, např. pro kvantově mechanické výpočty), stačilo by\n" #~ "zobrazení jednotlivých vazeb." #~ msgid "Find &double bonds" #~ msgstr "Najít &dvojité vazby" #~ msgid "Molecular Symmetry" #~ msgstr "Molekulová symetrie" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Měřítko (mm/Å):" #~ msgid "Calculate Size..." #~ msgstr "Vypočítat velikost..." #~ msgid "Display visual cues" #~ msgstr "Zobrazit vizuální vodítka" #~ msgid "Python Settings" #~ msgstr "Nastavení Pythonu" #~ msgid "Z Matrix Editor" #~ msgstr "Editor matice Z" OpenChemistry-avogadrolibs-ceb949f/i18n/da.po000066400000000000000000011024101516317240700211740ustar00rootroot00000000000000# Danish translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Danish \n" "Language: da\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Fortsæt" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Luk" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Ukendt" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Kulstof" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Kvælstof" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Ilt" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicium" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Svovl" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Jern" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobolt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kobber" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdæn" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Sølv" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cæsium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Guld" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Kviksølv" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Bly" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Røntgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennesin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Gennemse" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Alle filer" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titel" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[intet molekyle]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bold og stav" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Tegneserie" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiket" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Overflader" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Trådramme" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "uden navn" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodisk tabel" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Tilføj atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Fjern atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Juster brintatomer" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Skift element" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Skift element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Tilføj binding" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Slet binding" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Bindingsorden" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Ændr bindingsorden" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Hægt på bindinger" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Fjern enhedscelle" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Fold atomer til celle" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Skalér celle til volumen" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Reducer celle (primitiv)" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Fyld enhedscelle" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Indstillinger" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fil" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Eksportér" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Byg" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Ret ind" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Akser:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Fejl" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Fejl" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Succes" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Af brugerdefineret farve…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Af Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Af delvis ladning…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "Af sekundære struktur" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spektre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vis" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Farv rest" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy msgid "Optimize" msgstr "Optimer" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimer geometri" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekylær dynamik" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Vis flere bindinger" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Bindingscentreret manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Bindingscentreret manipulation." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Binding" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Bånd" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Tegneserie" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Maksimal afstand:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Andet…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Udregn" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Vinkel" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Type" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Koordinat-editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Elementnavn." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atom nummer." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Slet" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrisk Optimering" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekylær Mekanik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugér gradienter" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Stejleste nedgang" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importer krystal fra udklipsholder…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Tilføj enhedscelle…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Fold atomer til celle" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Roter til standard&orientering" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Skalér celle til &volumen…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reducer celle (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Krystallografi" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Fjern &enhedscelle" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Tilføj &enhedscelle" #: qtplugins/crystal/crystal.cpp:169 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Importer krystal fra udklipsholder" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Fold atomer til celle." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Krystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 #, fuzzy msgid "Color axes:" msgstr "Farver akser:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Tegn" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Tegn atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Afstand:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Enkelt" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dobbelt" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Tredobbelt" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importér" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Hent PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Kemisk struktur som skal hentes." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Netværks timeout eller anden fejl." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Det angivne molekyle kunne ikke findes: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Hent fra PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energi = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Kraftfelt Optimering" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Enkelt" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ingen" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Juster brintatomer" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Tilføj brintatomer" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Fjern brintatomer" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hydrogen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Indsæt" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Indsæt Molekyle…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekyle…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Krystal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Indsæt fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Indsæt fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Indsæt molekylærfragmenter for at bygge størrer molekyler." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Farver:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Afstand fra centrum:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Unikt id" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer i den " "gaussiske inputplatform forhåndsvisningspanelet?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES,,," #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Ingen beskrivelse" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulér" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mål" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Hældning:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Vinkel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekylær…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Egenskaber" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekylære egenskaber" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Molekyle egenskaber" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Eksportér CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-filer (*.csv);;Alle filer (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Kunne ikke åbne fil for at skrive til den." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Eksportér…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigér" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kemisk navn" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Indstil kraftfelt…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Søg efter konformationer…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Til hydrogen til pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Fjern brintatomer" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimer geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Tilføj brintatomer (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Til hydrogen til pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Fjern brintatomer (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer lavet i " "OpenMM forhåndsvisningspanelet?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Input Generator" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pause" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "video file (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Gem fil" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valens" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Farver" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Slut Atom" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Bindingsorden" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Længde (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Sekundære Struktur" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Vinkel (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Atom Egenskaber…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Bindings Egenskaber…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Vinkel Egenskaber…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Drejningsegenskaber…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Vindue til at vise atomer-, binding-, vinkle- og drejningsegenskaber." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Egenskaber" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atom Egenskaber" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bindings Egenskaber" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Vinkel Egenskaber" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Drejningsegenskaber" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Konformationsegenskaber" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Tegner elementer med brug af QTAIM-egenskaber" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Åbn WFN-fil" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-filer (*.wfn);;Alle filer (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Vælg efter Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Vælg efter rest…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Vælg" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Vælg element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Vælg rest" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Vælg" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Udvalg" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Fyld enhedscelle…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektre" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infrarød" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 #, fuzzy msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Densitet på tilstande" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Vælg baggrundsfarve" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Vælg forgrundsfarve" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Bølgenummer (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "NMR Spektre" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Skift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Energi (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekylær omløbsbane" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektrontæthed" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Skab overflader…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Udregner elektrontæthed" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Gruppe %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibration" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 kunne ikke startes" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Indsæt fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Kraftfelt:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succes!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Delvis ladning" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Tilføj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Anvend" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Gem fil…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindingsorden:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "navn" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Andet" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Enkelt" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dobbelt" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) #, fuzzy msgid "Conformer Search" msgstr "Søg efter konformationer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Systematisk rotor søgning" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Tilfældig rotor søgning" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Vægtet rotor søgning" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Stejleste nedgang" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Kraftfelt:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkelt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dobbelt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Begrænsninger:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Wavelængde:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Udseende" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Imported Spectra:" msgstr "Importer spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "udregnet spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Eksportér data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Skab overflader" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farv efter:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Iso værdi:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lys" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekyle" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "Fra udklipsholder" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupper" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Gruppe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,nanker, ,Launchpad " "Contributions:,dlonie,nanker,olegb, ,Launchpad Contributions:,Avogadro " "Team,dlonie,nanker,olegb, ,Launchpad Contributions:,Avogadro Team,Joe " "Hansen,dlonie,nanker,olegb, ,Launchpad Contributions:,Avogadro Team,Joe " "Hansen,dlonie,nanker,olegb, ,Launchpad Contributions:,Avogadro Team,Joe " "Hansen,dlonie,nanker,olegb, ,Launchpad Contributions:,Avogadro Team,Joe " "Hansen,Stine Nielsen,dlonie,nanker,olegb, ,Launchpad Contributions:,Anton " "Rasmussen,Avogadro Team,Joe Hansen,Ole Guldberg,Stine " "Nielsen,dlonie,jvd,nanker, ,Launchpad Contributions:,Anton " "Rasmussen,Avogadro Team,Joe Hansen,Ole Guldberg,Stine " "Nielsen,dlonie,jvd,nanker, ,Launchpad Contributions:,Anton " "Rasmussen,Avogadro Team,Joe Hansen,Ole Guldberg,Stine " "Nielsen,dlonie,jvd,nanker" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,loniedavid@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,loniedavid@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,loniedavid@gmail.com,,,,,amhrasmussen@gmail.com,avogadro-" "devel@lists.sourceforge.net,,olegb@omgwtf.dk,,loniedavid@gmail.com,jvd@tuta.io,,,,amhrasmussen@gmail.com,avogadro-" "devel@lists.sourceforge.net,,olegb@omgwtf.dk,,loniedavid@gmail.com,jvd@tuta.io,,,,amhrasmussen@gmail.com,avogadro-" "devel@lists.sourceforge.net,,olegb@omgwtf.dk,,loniedavid@gmail.com,jvd@tuta.io," #, fuzzy #~ msgid "Angles:" #~ msgstr "Vinkel:" #, fuzzy #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Annullér" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(afventende)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Vindue til at vise atomer-, binding-, vinkle- og drejningsegenskaber." #, fuzzy #~ msgid "&Import..." #~ msgstr "&Importér..." #, fuzzy #~ msgid "&Export..." #~ msgstr "&Eksportér..." #, fuzzy #~| msgid "Color by Partial Charge" #~ msgid "Partial Charge" #~ msgstr "Farv efter delvis ladning" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animation" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometri" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Tilføj &enhedscelle" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atom nummer" #, fuzzy #~ msgid "By Distance" #~ msgstr "Afstand" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atom nummer" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekyle" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Andet..." #, fuzzy #~ msgid "Filename" #~ msgstr "Filnavn:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Render protein sekundære struktur" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigér" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigér" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elementnavn" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Alle filer" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekyle" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Intet molekylesæt" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Indsæt krystal" #~ msgid "SMILES..." #~ msgstr "SMILES,,," #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Tilføj H til pH" #~ msgid "Atom Properties..." #~ msgstr "Atom Egenskaber..." #~ msgid "Bond Properties..." #~ msgstr "Bindings Egenskaber..." #~ msgid "Angle Properties..." #~ msgstr "Vinkel Egenskaber..." #~ msgid "Torsion Properties..." #~ msgstr "Drejningsegenskaber..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekyle egenskaber..." #~ msgid "Create Surfaces..." #~ msgstr "Skab overflade..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Afstand (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Roterbar" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Konformation %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Konformation %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Vinkel %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Konformation %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Drejning %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energi (eV)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nej" #, fuzzy #~ msgid "Import" #~ msgstr "Importér" #~ msgid "Insert SMILES" #~ msgstr "Indsæt SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Indsæt SMILES fragment:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Indsæt krystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Indsæt molekylærfragmenter for at bygge størrer molekyler" #~ msgid "E&xtensions" #~ msgstr "Udvidelser" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimer geometri" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrisk Optimering" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Tilføj brintatomer" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Overflader" #~ msgid "Color by Index" #~ msgstr "Farv efter Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Farv efter Index (rød, orange, gul, grøn, blå, violet)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Farv efter atomlading (blå = positiv, rød = negativ)" #~ msgid "Custom Color:" #~ msgstr "Brugerdefineret farve:" #~ msgid "Set custom colors for objects" #~ msgstr "Vælg brugerdefinerede farver for objekter" #~ msgid "Color by Distance" #~ msgstr "Farv efter afstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Farv efter afstand fra det første atom" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farv efter grundstof (kulstof = grå, oxygen = rød, ... )" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Farv efter rest (aminosyrere, hydrofobi, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS-mønster:" #~ msgid "Highlight Color:" #~ msgstr "Fremhævningsfarve:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Farve efter SMARTS-mønster" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motorer" #~ msgid "Axes" #~ msgstr "Akser" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Render primitiver med kugler (atomer) og stave (bindinger)" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen-binding" #~ msgid "Renders hydrogen bonds" #~ msgstr "Gengiver hydrogen-bindinger" #~ msgid "Select Atom Labels Color" #~ msgstr "Vælg farve for atometiketter" #~ msgid "Select Bond Labels Color" #~ msgstr "Vælg farve for bindingsetiketter" #~ msgid "Select Bond Labels Font" #~ msgstr "Vælg skrifttype for bindingsetiketter" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Render atomer som tetraeder, oktraeder eller andre polygoner" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Render protein-rygrad som bånd" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Render ringe med farvede flader" #~ msgid "Simple Wireframe" #~ msgstr "Simpel trådramme" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Render bindinger som tråde (linier), godt til store molekyler" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals sfærer" #~ msgid "Stick" #~ msgstr "Stang" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektrontæthed, isooverflade = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isoflade = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Render bindinger sim tråde (linier), godt til meget store (bio) molekyler" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORIK-filer" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Tilføj .avi filendelse" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Kan ikke læse filformatet på filen %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Læsning af banefil %1 fejlede." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Skal vælge en gyldig .avi fil" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL widget bliv ikke initialiseret korrekt, så videoen kan ikke gemmes" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Ugyldigt video filnavn. Hele stien til filen skal inkluderes" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Ugyldigt video filnavn. Hele stien til filen, samt filnavnet med .avi " #~ "endelse, skal inkluderes" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Kunne ikke bestemme format ud fra filnavn: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animer bane, reaktioner og vibrationer" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Ingen enhedscelle defineret for molekyle - kan ikke bruge fraktionelle " #~ "koordinater." #~ msgid "Cartesian Editor..." #~ msgstr "Kartesiansk editor..." #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Antal af roterbare bindinger: %1" #~ msgid "Add constraint" #~ msgstr "Tilføj afhængighed" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Dit molekyle skal indeholde mindst et atom for at kunne tilfæje en " #~ "afhængighed" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Dit molekyle skal indeholde mindst to bindinger for at kunne tilføje en " #~ "bindingsafhængighed" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Dit molekyle skal indeholde mindst tre atomer for at kunne tilføje en " #~ "vinkelafhængighed" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Dit molekyle skal have mindst 4 atomer for at tilføje en drejningsgrænse" #~ msgid "&Reduce" #~ msgstr "&Reducer" #~ msgid "&Length Unit" #~ msgstr "&Længdeenhed" #~ msgid "&Angle Unit" #~ msgstr "&Vinkelenhed" #~ msgid "Show &Editors" #~ msgstr "Vis &editorer" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Gittertype: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volumen af enhedscelle: %L1%2" #~ msgid "Undefined" #~ msgstr "Udefineret" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombisk" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubisk" #~ msgid "&Fill Unit Cell" #~ msgstr "&Fyld enhedscelle" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Picometer" #~ msgid "&Degree" #~ msgstr "&Grad" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Bevar &kartesiske koordinater under ændring af celle" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Bevar &fractionelle koordinater under ændring af celle" #~ msgid "Display &cartesian matrix" #~ msgstr "Vis &kartesisk matrix" #~ msgid "Display as &column vectors" #~ msgstr "Vi som &søjlevektorer" #~ msgid "Trajectory..." #~ msgstr "Bane..." #~ msgid "Open chemical file format" #~ msgstr "Åben chemical filformatet" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical filer (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Åben parameter fil" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical filer (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importer bane" #~ msgid "Import trajectory files" #~ msgstr "Importer banefil" #~ msgid "Constraints..." #~ msgstr "Afhængigheder" #~ msgid "ForceField" #~ msgstr "KraftFelt" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiser molekyler og generer konformationer ved at bruge mekanisk " #~ "kraftfelter" #~ msgid "Change H to Methyl" #~ msgstr "Ændre H til Methyl" #~ msgid "H to Methyl" #~ msgstr "H til Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Ændre hydrogen til metylgrupper" #~ msgid "Add or remove hydrogens" #~ msgstr "Tilføj eller fjern hydrogen" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Indsæt oligopeptide sekvenser" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "ukendt" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimer dipolaritet (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Vis standard molekylære egenskaber." #~ msgid "Fetch from URL..." #~ msgstr "Hent fra URL..." #~ msgid "PDB Entry" #~ msgstr "PDB element" #~ msgid "PDB entry to download." #~ msgstr "PDB element der skal hentes." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL til molekylerne som skal hentes." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Det angivne molekyle kunne ikke indlæses: %1" #~ msgid "Network Fetch" #~ msgstr "Hent fra netværk" #~ msgid "Fetch molecule files over the network." #~ msgstr "Hent molekyle filer fra netværk" #~ msgid "Show Preview" #~ msgstr "Se forhåndsvisning" #~ msgid "Hide Preview" #~ msgstr "Skjul miniature" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gem POV-Ray renderet billede" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Billedfiler (*.png, *pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Intet gyldigt filnavn angivet." #~ msgid "Does not compute." #~ msgstr "Kan ikke behandles." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Du har valgt ikke at bruge direkte rendering med POV-Ray og ikke at gemme " #~ "POV-Ray filen. Dette betyder at der ikke vil blive gemt noget output. Er " #~ "du sikker på det er hvad du vil ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Kan ikke skrive til filen %1. Har du tilladelse til at skrive til denne " #~ "lokation." #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray kunne ikke startes." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray kunne ikke startes. Måske er stien til den kørbarefil ikke " #~ "korrekt." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Skab POV-Ray filer og render dem med kommandolinie programmet POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Konformationsegenskaber..." #~ msgid "Python Terminal" #~ msgstr "Python terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonterminal" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktiv pythonskript terminal." #~ msgid "QM Matches" #~ msgstr "Ens QM'er" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Valg..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Valg..." #~ msgid "You must make a selection!" #~ msgstr "Du skal lave et valg!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES konvertering ikke tilgængelig" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES format konvertering ikke tilgængelig!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Skab inputfil til GAMESS kvantekemipakken" #~ msgid "Advanced Settings Changed" #~ msgstr "Advancerede Indstillinger er ændret" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advancerede Indstillinger er ændret.\n" #~ "Kassere?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advancerede Indstillinger Nulstilling" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Er du sikker på du ønsker at nulstille de advancerede indstillinger ?\n" #~ "Alle ændringer vil gå tabt!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Er du sikker på du ønsker at nulstille de gundlæggende indstillinger ?\n" #~ "Alle ændringer vil gå tabt!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussisk inputplatform generation advarsel" #~ msgid "Gaussian Running." #~ msgstr "Gasussian kører" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian kører allerede. Vent til den forrige beregning er færdig." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian er ikke installeret." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 kørbare fil, kan ikke findes." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 kunne ikke startes. Måske er den ikke installeret korrekt." #~ msgid "Running Gaussian calculation..." #~ msgstr "Kører Gaussian-beregning..." #~ msgid "G03 Crashed." #~ msgstr "G03 havde et nedbrud." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian blev ikke afviklet korrekt. Måske er programmet ikke installeret " #~ "korrekt." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC input advarsel" #~ msgid "MOPAC Running." #~ msgstr "MOPAC afvikles." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC beregner. Vent til den nuværende beregning færdiggøres." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC er ikke installeret." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC kørbar fil kan ikke findes." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC kunne ikke startes. Måske er det ikke korrekt installeret." #~ msgid "Running MOPAC calculation..." #~ msgstr "Afvikler MOPAC beregninger..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC brød ned." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC blev ikke afviklet korrekt. Måske er der ikke installeret korrekt." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem inputplatform generator advarsel" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer lavet i " #~ "NWChem forhåndsvisningspanelet?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem input platform advarsel" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer i Q-" #~ "Chem input platform forhåndsvisningspanelet?" #~ msgid "Select SMARTS..." #~ msgstr "Vælg SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Tilføj navngivet sektion..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS udvalg" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS mønster som skal vælges" #~ msgid "There is no current selection." #~ msgstr "Der er ikke truffet nogen valg." #~ msgid "Add Named Selection" #~ msgstr "Tilføj navngivet sektion." #~ msgid "Name cannot be empty." #~ msgstr "Navn kan ikke være tomt." #~ msgid "There is already a selection with this name." #~ msgstr "Der er allerede en valg med dette navn." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vælg atomer, bindinger, restprodukter..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL shaders..." #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitet (arb. enheder)" #~ msgid "No intensities" #~ msgstr "Ingen intensiteter" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Vibrations data i det molekyle du har indlæst har ingen intensitetsdata. " #~ "Intensiteter er blevet sat til forvalgte værdier for visualisering." #~ msgid "Activity" #~ msgstr "Aktivitet" #~ msgid "X Axis" #~ msgstr "X-akse" #~ msgid "Y Axis" #~ msgstr "Y-akse" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrarød spektrum indstillinger" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR spektrum indstillinger" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&UV Settings" #~ msgstr "Indstillinger for &UV" #~ msgid "Dark" #~ msgstr "Mørk" #~ msgid "Publication" #~ msgstr "Udgivelse" #~ msgid "Handdrawn" #~ msgstr "Håndtegnet" #~ msgid "New Scheme" #~ msgstr "Nyt skema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Bekræft skema fjernelse" #~ msgid "Really remove current scheme?" #~ msgstr "Er du sikker på at det nuværende skema skal fjernes?" #~ msgid "Change Scheme Name" #~ msgstr "Ændre skemanavn" #~ msgid "Enter new name for current scheme:" #~ msgstr "Indtast det nye navn for det nuværende skema:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tabulator separerede værdier (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tabulator separerede værdier" #~ msgid "Comma Separated Values" #~ msgstr "Komma separerede værdier" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Ukendt udvidelse: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgid "Data Format" #~ msgstr "Dataformat" #~ msgid "Load Spectral Data" #~ msgstr "Indlæs spektrum data:" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows-bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Gem spektrumbillede" #~ msgid "&Advanced <<" #~ msgstr "&Avanceret <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanceret >>" #~ msgid "&Spectra..." #~ msgstr "&Spektrum" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiser spektraldata fra kvantekemiske beregninger" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorterer %1 vibrationer efter frekvens..." #~ msgid "Super Cell Builder..." #~ msgstr "Super celle bygger..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dette dokument er et isoleret molekyle. Du skal skabe en celleenhed." #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ingenting" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektrontæthed" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Fejl - udefineret type" #~ msgid "Calculating VdW Cube" #~ msgstr "Udregner VdW Kube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Udregner MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget blev ikke initializeret korrekt så video kan ikke skabes" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget har ikke noget molekyle" #~ msgid "Building video " #~ msgstr "Bygger video " #~ msgid "Could not run mencoder." #~ msgstr "Kunne ikke afvikle mencoder." #~ msgid "Connect" #~ msgstr "Tilslut" #~ msgid "Disconnect" #~ msgstr "Afbryd" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Ugyldig OpenGL-sammenhæng.\n" #~ "Enten er noget i din OpenGL-opsætning fuldstændig i stykker (kan du køre " #~ "andre OpenGL-programmer?), eller også har du fundet en programfejl." #~ msgid "Debug Information" #~ msgstr "Fejlretningsinformation" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Vis størrelse: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomer: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Filtype '%1' er ikke understøttet ved læsning" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Filtype for filen '%1' er ikke understøttet ved læsning" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Kunne ikke åbne fil '%1' for at læse fra den." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Kunne ikke åbne fil '%1' for at læse den." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Kunne ikke åbne fil '%1' for at at skrive til den." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Kunne ikke gemme molekylefil - kunne ikke omdøbe den originale fil." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Kunne ikke gemme molekylefil - kunne ikke omdøbe den nye fil." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Kunne ikke gemme molekylefil - kunne ikke fjerne den gamle fil." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Filen %1 kunne ikke åbnes for at skrive til den." #~ msgid "Molecule %1" #~ msgstr "Molekyle %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Ukendt Python-motor" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - scriptet har ikke defineret en \"Engine\"-klasse" #~ msgid " - no module" #~ msgstr " - intet modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ukendt Python-udvidelse" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checker " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - scriptet har ikke defineret en \"Extension\"-klasse" #~ msgid "Unknown Python Tool" #~ msgstr "Ukendt Python-værktøj" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - scriptet har ikke defineret en \"Tool\"-klasse" #~ msgid "Tools" #~ msgstr "Værktøjer" #~ msgid "Align:" #~ msgstr "Ret ind:" #~ msgid "Everything" #~ msgstr "Det hele" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: kunne ikke sætte et kraftfelt op...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Trin per opdatering:" #~ msgid "Algorithm:" #~ msgstr "Algoritme:" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekylær dynamik (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fikserede atomer kan flyttes" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorerede atomer kan flyttes" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt molekyle" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatisk optimerisering af molekylære geometri" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimization indstillinger" #~ msgid "Auto Rotation Tool" #~ msgstr "Værktøj til auto-rotation" #~ msgid "x rotation:" #~ msgstr "x-rotation:" #~ msgid "x rotation" #~ msgstr "x-rotation" #~ msgid "y rotation:" #~ msgstr "y-rotation:" #~ msgid "y rotation" #~ msgstr "y-rotation" #~ msgid "z rotation:" #~ msgstr "z-rotation:" #~ msgid "z rotation" #~ msgstr "z-rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatisk rotation af molekyler" #~ msgid "AutoRotate Settings" #~ msgstr "Autoroter indstillinger" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bindingslængde: %L1" #~ msgid " Show Angles" #~ msgstr " Vis vinkler" #~ msgid "Bond Centric Manipulate" #~ msgstr "Bindingscentreret manipuler" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation af bindingslængder, vinkler og drejninger" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Afstand (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Afstand (3->4): %L1 %2" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Afstande:" #~ msgid "Draw Bond" #~ msgstr "Tegn binding" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Tegn og rediger atomer og bindinger" #~ msgid "Draw Settings" #~ msgstr "Tegningsindstillinger" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Flyt, roter og tilpas atomer og fragmenter" #~ msgid "Navigate Settings" #~ msgstr "Navigationsindstillinger" #~ msgid "Selection Mode:" #~ msgstr "Udvælgelsestilstand:" #~ msgid "Atom/Bond" #~ msgstr "Atom/binding" #~ msgid "Residue" #~ msgstr "Rest" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vælg atomer, rester og molekyler" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bindingslængde" #~ msgid "Dihedral Angle" #~ msgstr "Hældningsvinkel" #~ msgid "Z Matrix Editor..." #~ msgstr "Z-matrix-editor..." #~ msgid "Bond Radius:" #~ msgstr "Bindingsradius:" #~ msgid "Shape" #~ msgstr "Form" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Løkke" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Cut-off radius:" #~ msgstr "Afskæringsradius:" #~ msgid "Cut-off angle:" #~ msgstr "Afskæringsvinkel:" #~ msgid "Residue number" #~ msgstr "Restnummer" #~ msgid "Bond length" #~ msgstr "Bindingslængde" #~ msgid "Bond number" #~ msgstr "Bindingsnummer" #~ msgid "Bond order" #~ msgstr "Bindingsorden" #~ msgid "Radius:" #~ msgstr "Radius:" #~ msgid "Include Nitrogens" #~ msgstr "Inkludér kvælstoffer" #~ msgid "Orbital:" #~ msgstr "I kredsløb:" #~ msgid "Fill" #~ msgstr "Fyld" #~ msgid "Draw Box:" #~ msgstr "Tegn boks:" #~ msgid "Positive" #~ msgstr "Positiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Vis atomer" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Løkke" #~ msgid "Save" #~ msgstr "Gem" #~ msgid "Load" #~ msgstr "Indlæs" #~ msgid "7 - Gaussian smearing" #~ msgstr "Gaussisk udtværing" #~ msgid "Gaussian Input" #~ msgstr "Gaussian input" #~ msgid "&Gaussian Width:" #~ msgstr "&Gauss-bredde:" #~ msgid "Gaussian &Width:" #~ msgstr "Gauss-&bredde:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "højere frekvens vibrationer vil vise hurtigere bevægelser" #~ msgid "Animation speed set by frequency" #~ msgstr "Animationshastighed sat af frekvens" #~ msgid "Display force &vectors" #~ msgstr "Vis kraft&vektorer" #~ msgid "Surface Type:" #~ msgstr "Overflade type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Lav" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Høj" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Meget høj" #~ msgid "Advanced..." #~ msgstr "Avanceret..." #~ msgid "Display visual cues" #~ msgstr "Vis visuelle tegn" #~ msgid "Python Settings" #~ msgstr "Python-indstillinger" #~ msgid "Z Matrix Editor" #~ msgstr "Z-matrix-editor" OpenChemistry-avogadrolibs-ceb949f/i18n/de.po000066400000000000000000014243031516317240700212100ustar00rootroot00000000000000# translation of _avogadro-de.po to # Alex , 2021. # Jörg S. , 2021. # J. Lavoie , 2021. # matterhorn103 , 2022, 2023. # Sebastian Ehlert , 2022. # "Jörg S." , 2023. # Norwid Behrnd , 2023, 2024, 2025, 2026. # Jörn Weigend , 2023. # LibreTranslate , 2024, 2025, 2026. # Weblate Translation Memory , 2024, 2025, 2026. # matterhorn103 <83813148+matterhorn103@users.noreply.github.com>, 2024. # Eisuke Kawashima , 2024, 2025, 2026. # Frank Hoffmann , 2026. # Jakob Blahusch , 2026. # Alexander Krappe , 2026. msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-31 12:10+0000\n" "Last-Translator: Alexander Krappe \n" "Language-Team: German \n" "Language: de\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch-Job Nr. %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Keine Nachricht angegeben." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Die Ausgabe von script --print-options muss ein JSON-Objekt auf oberster " "Ebene sein. Erhalten:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "'Kein-String' Warnung zurückgegeben." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Das Element 'warnings' ist kein Array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Die Referenzdatei '%1' ist nicht vorhanden." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Fehler beim Füllen der Datei %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Datei '%1' ist schlecht formatiert. Fehlende Stringmitglieder 'contents' " "oder 'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Fehlerhafter Dateieintrag: Dateiname / Inhalt fehlt oder ist keine " "Zeichenfolgen:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Fehlerhafter Dateieintrag bei Index %1: Kein Objekt." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' Mitglied ist nicht ein Array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files'-Mitglied fehlt." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Das Mitglied „mainFile“ verweist auf keinen Eintrag in „files“." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Das Mitglied 'mainFile' muss eine Zeichenkette sein." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Die Antwort muss ein JSON-Objekt auf der obersten Ebene sein." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Skriptausgabe:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Analysefehler bei Offset %L1: '%2'\n" "Raw-JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Fehler beim Speichern der Moleküldarstellung als String: Unbekanntes " "Dateiformat: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Fehler beim Speichern der Moleküldarstellung als String: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Fehler beim Generieren des cjson-Objekts: Analysefehler bei Offset %1: %2\n" "Raw-JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Fehler Generator cjson-Objekt: Geparstes JSON ist kein Objekt:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Eingabegenerator (Fehler)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Eingabegenerator" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Fortfahren" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Schließen" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Unbekannt" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Die folgende Datei wurden geändert:\n" "\n" "%1\n" "\n" "Möchten Sie Ihre Änderungen überschreiben, um die neue Geometrie oder " "Joboptionen widerzuspiegeln?" msgstr[1] "" "Die folgenden Dateien wurden geändert:\n" "\n" "%1\n" "\n" "Möchten Sie Ihre Änderungen überschreiben, um die neue Geometrie oder " "Joboptionen widerzuspiegeln?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Geänderte Eingabedateien überschreiben?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Bei der Vorbereitung der Eingabe sind Probleme aufgetreten:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Keine Eingabedateien zum Speichern vorhanden!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Eine Verbindung zu MoleQueue kann nicht hergestellt werden" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Eine Verbindung zum MoleQueue-Server kann nicht hergestellt werden. Bitte " "vergewissern Sie sich, dass er ausgeführt wird und versuchen Sie es erneut." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Berechnung %1 senden" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Auftrag fehlgeschlagen" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Der Auftrag wurde nicht erfolgreich abgeschlossen." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Das Skript gibt Warnungen zurück:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "&Warnungen ausblenden" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "&Warnungen anzeigen" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Ein Fehler ist aufgetreten:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Namen der Ausgabedatei wählen" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Interner Fehler: Text-Widget für den Dateinamen '%1' konnte nicht gefunden " "werden" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Ausgabe-Fehler" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Schreiben in Datei %1 fehlgeschlagen." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Ausgabeverzeichnis auswählen" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Verzeichnis existiert nicht!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Verzeichnis kann nicht gelesen werden!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Datei wird überschrieben werden." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Datei kann nicht geschrieben werden." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Die Eingabedateien können aufgrund eines unbekannten Fehlers nicht " "geschrieben werden." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Die Eingabedateien können nicht geschrieben werden:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Die Eingabedateien können nicht geschrieben werden:\n" "\n" "%1\n" "\n" "Warnungen:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warnung:\n" "\n" "%1\n" "\n" "Möchten Sie fortfahren?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Eingabedateien schreiben" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Aufgabe konfigurieren" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Aufgabe an MoleQueue übermitteln…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Frist für die Auftragsübermittlung abgelaufen" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Timeout: Avogadro wartet nicht mehr auf eine Antwort von MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Warten auf Abschluss der Aufgabe %1 \"%2\"…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Nicht mehr warten" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Informationen über die erledigte Aufgabe werden abgerufen …" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Zeitlimit für die Abfrage von Aufträgen" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro wartet nicht weiter auf Details abgeschlossener Aufgaben von " "MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Job-Abgabe fehlgeschlagen" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Der Auftrag wurde von MoleQueue abgewiesen: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Kein Programm ausgewählt." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Zielprogramm aus der Liste \"Warteschlange und Programm\" auswählen." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" "Der Client konnte die Aufgabe nicht erfolgreich bei MoleQueue einreichen." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Interner Fehler." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Die Programmauswahl konnte nicht gelöst werden. Das ist ein Bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Kein Molekül in BackgroundFileFormat gesetzt!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Kein Io::FileFormat BackgroundFileFormat gesetzt!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Es wurde kein Dateiname im BackgroundFileFormat festgelegt!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Horizontal teilen" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Vertikal teilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Wasserstoff" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Kohlenstoff" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Stickstoff" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Sauerstoff" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silizium" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phosphor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Schwefel" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalzium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chrom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Eisen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kupfer" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdän" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Silber" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Zinn" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cäsium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cer" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Quecksilber" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Blei" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenness" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Durchsuchen" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Datei auswählen:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Ausführbare Datei auswählen:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Ein für die ausgewählte Datei geeigneter Dateileser wurde nicht gefunden." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Da eine Dateierweiterung fehlt konnte das Format nicht bestimmt werden. " "Wollen Sie jetzt eine hinzufügen?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Für das ausgewählte Format wird kein geeigneter Schreiber gefunden." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "Verarbeiter" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "verarbeiten" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "Leser" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "lesen" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "Schreiber" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "schreiben" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Mehrere %1 gefunden, die dieses Format %2 können. Welcher soll verwendet " "werden?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Alle Dateien" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Alle unterstützte Formate" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Das Lesen der Moleküldarstellung ist fehlgeschlagen: Unbekanntes " "Dateiformat: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 Nachricht" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Warnung" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Fehler" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Das Schreiben der Moleküldarstellung als ein String ist fehlgeschlagen: " "Unbekanntes Dateiformat: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" "Fehler beim Schreiben der molekularen Darstellung als eine Zeichenkette: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' fehlt." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Option '%1' konnte nicht gefunden werden." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' ist kein String für Option '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titel" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Dateinamenbasis" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Prozessorkerne" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Speicher" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Berechnungsart" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Theorie" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Ladung" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplizität" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Lösungsmittel" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Modell" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Benutzername" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Passwort" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unbekannter Optionstyp '%1' von Option '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Fehler beim Festlegen der Standardeinstellung für die Option '%1'. " "Ungültiger Widget-Typ." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Fehler beim Festlegen der Standardeinstellung für die Option '%1'. " "Ungültiger Standardwert:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Fehler beim Festlegen der Standardeinstellung für die Option '%1'. Es konnte " "kein gültiger Auswahlboxindex für den Wert gefunden werden:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unaufgearbeitetes Widget in collectOptions für Option '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[Kein Molekül]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Ebene %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kugel-Stab" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoon" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Nahe Kontakte" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristallgitter" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Beschriftungen" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Stäbchen" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Oberflächen" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "nicht-kovalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetrieelemente" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "van-der-Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Datenträger" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drahtgitter" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Referenzachsen" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Unbenannt" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Bearbeite Molekül" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Nicht gespeichert" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Neue Ansicht erstellen" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodensystem der Elemente" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Paketmodus erfordert Pixi, aber es wurde nicht gefunden." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Fehler beim Ausführen des Skripts '%1 %2': Zeitüberschreitung beim Warten " "auf Start (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Fehler beim Skript '%1 %2': Schreiben nach stdin schlug fehl (len=%3, " "schrieb %4 Bytes, QProcess-Fehler: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Fehler beim Ausführen des Skripts '%1 %2': Zeitüberschreitung beim Warten " "auf Abschluss (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Fehler beim Ausführen des Skripts '%1 %2': Untypischer Fehlercode %3 (%4: " "%5)\n" "\n" "Ausgabe:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Warnung '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Fehler beim Schreiben von Rohanforderung an Skript stdin (len=%1, schrieb %2 " "Bytes, QProcess-Fehler: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Das Skript konnte nicht gestartet werden." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Das Skript ist abgestürzt." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Die Laufzeit des Skriptes ist abgelaufen (timeout)." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Lesefehler." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Schreibfehler." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Unbekannter Fehler." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Ebenen ändern" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Ebene entfernen" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Informationen der Ebenen entfernen" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Ebene hinzufügen" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Informationen zur Ebene hinzufügen" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Ebene verändern" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Atom hinzufügen" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Atom entfernen" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Atome löschen" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Wasserstoffatome anpassen" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elemente ändern" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Element ändern" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Atomhybridisierung ändern" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Atomare Formalladung ändern" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Atomfarbe ändern" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Farbe des Restmaterials ändern" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Atomebene ändern" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Bindung hinzufügen" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Bindung entfernt" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Bindungen entfernen" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Bindungsordnungen setzen" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Bindungsordnung ändern" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Bindungen aktualisieren" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Bindung aktualisieren" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Elementarzelle hinzufügen …" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Elementarzelle entfernen" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Elementarzelle bearbeiten" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Nur Atome innerhalb der Elementarzellenbegrenzung zeigen" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Zellvolumen skalieren" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Superzelle erstellen" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli Reduktion" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "In die Standardorientierung drehen" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Auf eine primitive Zelle reduzieren" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "auf eine konventionelle Zelle zurückführen" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Elementarzelle symmetrisieren" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Elementarzelle füllen" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Zelle auf die asymmetrische Einheit reduzieren" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Atompositionen ändern" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Atomposition ändern" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Atombeschriftung ändern" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Bindungskennung ändern" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Auswahl ändern" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekül verändern" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Einstellungen" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Berechnung läuft…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Weniger als eine Sekunde verbleibend" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%nSekunde verbleibt" msgstr[1] "%nSekunden verbleiben" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%nMinute verbleibend" msgstr[1] "%nMinuten verbleibend" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 Stunde %nMinute verbleibend" msgstr[1] "1 Stunde %nMinuten verbleibend" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%nStunde(n) verbleibend" msgstr[1] "%nStunden verbleibend" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Datei" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportieren" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Elemente ändern …" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Erstellen" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchemie" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Atomtypen ändern." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Ausrichten" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Moleküle ausrichten\n" "\n" "Linke Maustaste:\tBis zu zwei Atome auswählen.\n" "\tDas erste Atom ist am Ursprung zentriert.\n" "\tDas zweite Atom ist an der gewählten Achse ausgerichtet.\n" "Rechte Maustaste:\tAusrichtung zurücksetzen.\n" "Doppelklick:\tDas Atom am Ursprung ausrichten." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Achse:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Am Ursprung ausrichten" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "An der Achse ausrichten" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Atom am Ursprung zentrieren." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" "Das Molekül drehen, um das Atom entlang der ausgewählten Achse auszurichten." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Werkzeug zum Ausrichten" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Moleküle an einer kartesischen Achse ausrichten" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS starten…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Ausgabedatei öffnen…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Eingabe" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Ausgabedatei öffnen" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-Datei (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "I/O Fehler" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Fehler beim Lesen der Strukturdatei (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Fehler" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Fehler beim Lesen von OpenDX-Datei: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Fehler beim Lesen der OpenDX-Datei: kein Cube gefunden" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Mit APBS-Diensten interagieren." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB-Datei öffnen" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-Dateien (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR-Datei öffnen" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-Dateien (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Fehler" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Fehler beim Ausführen von APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Bitte PDB-Datei angeben" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Erfolg" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "%1erzeugt" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Fehler beim Ausführen von PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS-Eingabedatei speichern" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "ABPS-Eingabe (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Eingabedatei in '%1' geschrieben" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Datei %1 kann nicht gespeichert werden." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Nach benutzerdefinierter Farbe…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Nach Atomindex …" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Nach Entfernung…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Nach Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Nach Kette" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Nach Partialladung…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Nach Protein-Sekundärstruktur" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Nach Aminosäure" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Nach Shapely-Schema" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Gray" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Kühl-Warm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 #, fuzzy msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blau-Dunkelrot" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Farbschemata auf Atome und Reste anwenden." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Ansicht" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Atome färben" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Reste färben" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Farbschema auswählen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Farbschema:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Indexfarben anwenden" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Ladungsfarben anwenden" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Entfernungsfarben anwenden" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Atomfarben zurücksetzen" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Benutzerdefinierte Farbe anwenden" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Eigene Rest-Farben anwenden" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Rest-Farben zurücksetzen" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Sekundärstruktur Farben anwenden" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Aminosäurefarben anwenden" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Farben anwenden" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Strg+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Automatische Optimierung" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Auto Optimierungs-Werkzeug\t(%1)\n" "\n" "Navigation durch Klicken in leeren Raum.\n" "Linke Maustaste:\tRotieren\n" "Mittlere Maustaste:\tVergrößern\n" "Rechte Maustaste:\tBewegen\n" "Doppelklick:\tAnsicht zurücksetzen\n" "\n" "Wenn das Programm läuft:\n" "Linke Maustaste:\tAtome anklicken und ziehen zum Bewegen.\n" "Rechte Maustaste:\tAtome anklicken und ziehen zum Rotieren." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimieren" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dynamiken" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Aufgabe:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Methode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatur:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Zeitschritt:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stopp" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Geometrie optimieren" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molekulardynamik" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Automisches Optimierungswerkzeug" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Interaktive Optimierung der Molekülgeometrie" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atomgröße" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bindungsgröße" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opazität" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Mehrfachbindungen anzeigen" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Wasserstoffatome anzeigen" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Atome als Kugeln und Bindungen als Zylinder wiedergeben." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Strg+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bindungsorientierte Bearbeitung" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Werkzeug zum Bearbeitung von Bindungen\t(%1)\n" "\n" "Linke Maustaste:\tDrehen der Ansicht.\n" "Mittlere Maustaste:\tSkalieren der Ansicht.\n" "Rechte Maustaste:\tVerschieben der Ansicht.\n" "Doppelklick:\tZurücksetzen der Ansicht.\n" "\n" "Linksklick & Gleiten auf einer Bindung definiert die Arbeitsebene\n" "Linksklick & Verschieben eines gebundenen Atoms ändert den Bindungswinkel.\n" "Rechtsklick & Verschieben eines gebundenen Atoms ändert die Bindungslänge" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bindungsorientiertes Bearbeitungswerkzeug." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Werkzeug, um die Molekülgeometrie durch Änderung von Bindungslängen und " "-winkeln zu bearbeiten." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Atome binden" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Bindungsordnungen erkennen" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Bindungen entfernen" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Bindung einrichten…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Ausgewählte Atome verbinden" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Bindung" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Entfernen von Bindungen aller oder von ausgewählten Atomen." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Bindungen zwischen allen oder ausgewählten Atome erstellen." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Bindungsordnungen erkennen." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bindung" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Bindungsoperationen ausführen." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Rückgrat" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Spur" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Röhre" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Band" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Einfacher Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Seil" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Anzeige von Biomolekülbändern / Cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Zentroid hinzufügen" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Massenschwerpunkt hinzufügen" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Normalenpunkt hinzufügen" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Geometrischer Schwerpunkt" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" "Füge geometrische Schwerpunkte (Zentroide) und Massenschwerpunkte hinzu." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Maximaler Abstand:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Linienbreite:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Kontakt" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Salzbrücke" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Abstoßend" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Nahe Kontakte zwischen Atomen wiedergeben." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Erweiterungen" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Skripte" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Fehler beim Lesen der Ergebnisdatei '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "%1 wird verarbeitet" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Pfad zum Python-Interpreter angeben:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Wähle den Python-Interpreter aus, der zum Ausführen externer Skripte " "verwendet werden soll.\n" "Die Änderung wird erst mit einem Neustart von Avogadro wirksam." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Befehlsskripte" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Externe Skripte ausführen" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python Einstellungen …" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Installiere Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python wird für viele Avogadro Features verwendet. Möchten Sie Python " "herunterladen?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "KonfigurierePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Konfiguriere die Python-Umgebungen." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Andere …" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Beschränkungen…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Berechnen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Zwänge" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Festlegen von Einschränkungen für Geometrieoptimierungen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Abstand" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Winkel" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Torsionswinkel" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Atom einfrieren" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "x-Achse fixieren" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "y-Achse fixieren" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "z-Achse fixieren" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Typ" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Wert" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Kartesischer &Koordinaten-Editor …" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinaten-Editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Atomkoordinaten mit einem Texteditor bearbeiten." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Änderungen überschreiben?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Die Textdatei wurde geändert. Möchten Sie Ihre Änderungen verwerfen und zum " "gegenwärtigen Molekül zurückkehren?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Zu wenige Einträge in dieser Zeile." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Ungültiger Elementname." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Elementname." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Ungültiges Elementsymbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Elementsymbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Ungültige Atombeschriftung." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Ungültiger atomarer Index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomindex." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Ordnungszahl ungültig." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Ordungszahl." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Ungültige Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X-Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' Gitterkoordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' Gitterkoordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' Gitterkoordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Fehler beim Anwenden der Geometrie" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Geometrieangabe konnte nicht geparst werden. Markierte Fehler korrigieren " "und nochmal versuchen.\n" "\n" "(Tipp: Mauszeiger über roten Text halten, um eine Fehlerbeschreibung zu " "zeigen.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Atomkoordinaten bearbeiten" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Benutzerdefiniert" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-Format (Symbole)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-Format (Namen)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-Format (Ordnungszahl)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Gitterkoordinaten (Symbole)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Gitterkoordinaten (Namen)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Gitterkoordinaten (Atomnummern)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-Format (Symbole)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-Format (Namen)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole-Format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopieren" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Ausschneiden" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Entfernen" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Einfügen" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Bearbeiten" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Kopieren als" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Fehler beim Molekülausschnitt" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Fehler beim Erstellen der Zwischenablagedaten." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Ausgabeformat: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Lesefehler:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Einfügen des Moleküls fehlgeschlagen" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Molekül konnte nicht eingefügt werden: Zwischenablage leer!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Fehler beim Lesen der Zwischenablage." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Erkanntes Format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopieren und einfügen" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Mit der Zwischenablage interagieren." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K-Eingabe" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Eingabe für CP2K erstellen." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energie und Kräfte" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometrieoptimierung" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Elektronische Strukturmethoden (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekulare Mechanik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantenklassisch (noch nicht unterstützt)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 #, fuzzy msgid "NONE" msgstr "Keine" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "KERN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DICHTEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "GESCHICHTE_NEUSTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ZUFÄLLIG" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "NEUSTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "DÜNN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "konjugierte Gradienten" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Steilster Gradient" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Die Eingabedatei wurde geändert. Möchten Sie Ihre Änderungen überschreiben, " "um die neue Geometrie oder Joboptionen abzubilden?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Geänderte Eingabedatei überschreiben?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "CP2K-EIngabedatei speichern" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "CP2K Berechnung einreichen" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Kristall aus der Zwischenablage importieren …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Elementarzelle umschalten" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Elementarzelle bearbeiten …" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Atome um Zelle &wickeln" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "In Standardorientierung drehen" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Zelle auf &Volumen skalieren …" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Superzelle bauen …" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Zelle reduzieren (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kristall" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&Elementarzelle entfernen" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "&Elementarzelle hinzufügen" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Kristall aus der Zwischenablage importieren" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Atome in Elementarzelle halten." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Einheitszelle auf Standardorientierung drehen." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli Kristallreduktion" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Diese Elementarzelle wurde bereits reduziert." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristall" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Werkzeuge für Kristall-spezifische Bearbeitung und Analyse." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Achsen einfärben:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Linienfarbe:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Grenzen der Einheitszelle darstellen." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Text kann nicht ausgewertet werden" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Die Daten können nicht im angegebenen Format gelesen werden." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Keine Einheitszelle gegenwärtig." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Einheitszelleneditor" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignorieren der Einzelzellmatrix" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignorieren einer einzelnen fraktionalen Zellmatrix" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Benutzerdefinierte Elemente neu zuordnen …" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Benutzerdefinierte Elementtypen im aktuellen Molekül bearbeiten." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Benutzerdefinierte Elemente" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolmoment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Dipolmoment des Moleküls wiedergeben." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Zeichnen" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Zeichenwerkzeug\t(%1)\n" "\n" "Linke Maustaste:\tKlicken und ziehen um Atome und Bindungen zu erstellen\n" "Rechte Maustaste:\tAtom löschen" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Atom zeichnen" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Bindungstyp ändern" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Bindung entfernen" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Abstand:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Bearbeitungswerkzeug" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "automatisch" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Einfach" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Zweifach" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Dreifach" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "Importieren" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB abrufen" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB-Molekül %1 kann nicht gelesen werden" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Chemische Struktur zum Herunterladen." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Ungültiger PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Der PDB-Code muss genau 4 Zeichen lang sein." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" "Das erste Zeichen des PDB-Codes muss eine Ziffer (1-9, nicht aber 0) sein." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Abfrage für %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Herunterladen über das Netzwerk fehlgeschlagen" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Netzwerk-Zeitüberschreitung oder anderer Fehler." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Das angegebene Molekül konnte nicht gefunden werden: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Aus der PDB abrufen" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "PDB Modelle von der Protein Data Bank laden" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Fokusauswahl" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Fokus aufheben" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Fokus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Den Blick auf bestimmte Merkmale richten." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Rendern Sie die Kraftfeldvisualisierungen für die Atome des Moleküls." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Kräfte" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Konfigurieren …" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Ausgewählte Atome einfrieren" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "x einfrieren" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "y einfrieren" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "z einfrieren" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Ausgewählte Atome freigeben" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Ausgewählte Atome verschmelzen" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Ausgewählte Atome trennen" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Keine Atome für die Optimierung bereitgestellt" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energie:%L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energie = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Kraftnorm = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Kraftfeld-Optimierung" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Kraftfeld-Minimierung, einschließlich Skripte" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Optionen…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Ungültige Modelloptionen" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Kann Benutzeroptionen für Model '%1' nicht übertragen." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Optionen" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatische Erkennung (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Universelles Kraftfeld (UFF)" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Allgemeines Amber Kraftfeld (GAFF)" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "MMFF94 Kraftfeld" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS Eingabe" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Eingabedatei für GAMESS vorbereiten." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Einzelpunkt" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Gleichgewichtsgeometrie" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Übergangszustand" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequenzen" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "EFP durchführen" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Kern-Potential" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Keine" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Wasser" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singulett" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dublett" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplett" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "GAMESS Eingabedatei abspeichern" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "GAMESS Berechnung einreichen" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "Wasserstoffatome anpassen" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Wasserstoffatome hinzufügen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Wasserstoffatome entfernen" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&entferne alle Wasserstoffatome" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Wasserstoffatome dem aktuellen Molekül hinzufügen/entfernen." #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Wasserstoffatome" #: qtplugins/hydrogens/hydrogens.h:24 #, fuzzy msgid "Hydrogens" msgstr "Wasserstoffatome" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&PQR suchen…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Von PQR importieren" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Laden Sie ein Molekül von PQR herunter." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA …" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "E&infügen" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNA einfügen …" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Thymin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Molekül einfügen …" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "3D-Molekül wird generiert …" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNA einfügen" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "DNA- / RNA-Fragmente über einen Dialog einfügen." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "&Molekül …" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristall …" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Fehler beim Lesen von Datei (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Kristall importieren" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Fragment einfügen" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Fragment einfügen" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Einfügen von Molekülfragmenten zum Aufbau größerer Moleküle." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptid…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Peptid einfügen" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "EinfügenPeptid" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Oligopeptidsequenzen einfügen." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Farbe:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Abstand von der Mitte:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Achse beschriften:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Eindeutige ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Element & Number" msgstr "Element & Nummer" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Element & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partialladung" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atombeschriftung:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Länge" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Bindungsbeschriftung:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Name & ID" #: qtplugins/label/label.cpp:252 #, fuzzy msgid "Residue Label:" msgstr "Restbeschriftung:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Anzeige von Beschriftungen im Kugel-Stab-Stil." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Beschriftungen bearbeiten" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Atombeschriftungs-Werkzeug\n" "\n" "Linke Maustaste:\tAuf Atome klicken, um benutzerdefinierte Beschriftungen " "hinzuzufügen" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Beschriftung erzeugen" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Werkzeug zum editieren von Beschriftungen" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS …" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS-Eingabe" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Eingabe für LAMMPS erstellen." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Möchten Sie die Textvorschau aktualisieren? Alle Änderungen des Lammps Input-" "decks gehen verloren." #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 #, fuzzy msgid "Opacity:" msgstr "Intransparenz:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Atome als Lakritz/Stäbchen rendern." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES …" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI …" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Keine Deskriptoren gefunden!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Kein Zeilenformatleser gefunden!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Gewünschter Formatleser konnte nicht geladen werden." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Keine Koordinaten gefunden!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "3D-Koordinaten können nicht generiert werden." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Laden Sie einzeilige Molekülbeschreibungen über einen Eingabedialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Strg+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Bearbeiten" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Manipulationswerkzeug\t(%1)\n" "\n" "Linke Maustaste:\tKlicken und ziehen, um Atome zu bewegen\n" "Rechte Maustaste:\tKlicken und ziehen um ausgewählte Atome zu rotieren." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Bearbeitungswerkzeug" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Strg+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Messen" #: qtplugins/measuretool/measuretool.cpp:54 #, fuzzy, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Messwerkzeuge\t(%1)\n" "\n" "Linke Maustaste:\tWähle bis zu vier Atome.\n" "\tAbstände werden zwischen 1-2 und 2-3 gemessen\n" "\tWinkel wird zwischen 1-3 mit 2 als Scheitelpunkt gemessen\n" "\tDiederwinkel wird zwischen 1-2-3-4 gemessen\n" "Rechte Maustaste:\tZurücksetzen der Messungen." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diederwinkel:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Winkel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Messwerkzeug" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(ausstehend)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Eigenschaft" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molekülname" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molare Masse (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoisotopische Molekülmasse (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Summenformel" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Anzahl der Atome" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Anzahl der Bindungen" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Koordinatensätze" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Zahl der Reste" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Zahl der Ketten" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Nettoladung" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Netto Spinmultiplizität" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipolmoment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO-Energie (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO-Energie (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO-Energie (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Gesamtenergie (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nullpunktsenergie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropie (kcal/Mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Freie Gibbs Energie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Punktgruppe" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molekular …" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Allgemeine Eigenschaften eines Moleküls ansehen." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analysiere" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Eigenschaften" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekulareigenschaften" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molküleigenschaften" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportieren CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-Dateien (*.csv);;Alle Dateitypen (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Datei kann nicht zum Schreiben geöffnet werden." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Fehler beim Schreiben in die Datei." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Exportieren …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigieren" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Navigationswerkzeug\t(%1)\n" "\n" "Linke Maustaste:\tKlicken und ziehen, um die Ansicht zu rotieren.\n" "Mittlere Maustaste:\tKlicken und ziehen, um den Zoom zu verändern.\n" "Rechte Maustaste:\tKlicken und ziehen, um die Ansicht zu bewegen." #: qtplugins/navigator/navigator.cpp:63 #, fuzzy msgid "Rotate the scene along the x, y, or z axes." msgstr "Drehen Sie die Szene entlang der x-, y- oder z-Achse." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Vergrößere die Ansicht." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Darstellung verschieben." #: qtplugins/navigator/navigator.cpp:106 #, fuzzy msgid "Reverse Direction of Zoom on Scroll" msgstr "Richtung von Zoomen beim Scrollen umkehren" #: qtplugins/navigator/navigator.cpp:108 #, fuzzy msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Standard:\tNach unten scrollen zu verkleinern, nach oben scrollen zu " "vergrößern\n" "Umgekehrt:\tNach oben scrollen zu verkleinern, nach unten scrollen zu " "vergrößern" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigationswerkzeug" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "chemischer Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Netzwerk-Datenbanken" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Mit Online-Datenbanken, Abfragestrukturen usw. interagieren." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Winkeltoleranz:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Chalkogen" #: qtplugins/noncovalent/noncovalent.h:34 #, fuzzy msgid "Render a few non-covalent interactions." msgstr "Einige nicht-kovalente Wechselwirkungen rendern." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Kraftfeld einrichten…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Konformerensuche …" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Bindungen erkennen" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Füge Wasserstoffatome für den pH-Wert hinzu…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Wasserstoffatome entfernen" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nicht gefunden! Open Babel-Plugin-Aktionen werden deaktiviert." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Die Open Babel-Dateiformate sind nicht bereit, hinzugefügt werden." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Molekül wird von Open Babel geladen…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Interner Fehler: OpenBabel::readMolecule wurde aufgerufen aber es steht zum " "Parsen keine obabel-Eingabe zur Verfügung!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Beim Ausführen von Open Babel ist ein Fehler aufgetreten (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Das Parsen der openbabel-Ausgabe ist fehlgeschlagen." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Beim Abruf der Liste der unterstützten Kraftfelder trat ein Fehler auf. " "(unter Verwendung von '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekül ungültig. Geometrie kann nicht optimiert werden." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Geometrie kann mit Open Babel nicht optimiert werden." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Geometrie wird optimiert (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 #, fuzzy msgid "Generating…" msgstr "generiert…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Bei der Erzeugung einer Open Babel-Darstellung des aktuellen Moleküls trat " "ein interner Fehler auf." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 wird gestartet…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Schritt %1 von %2\n" "Aktuelle Energie: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Molekül wird aktualisiert…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Fehler beim Interpretieren der Open-Babel-Ausgabe." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Anzahl von Atomen in obabel Ausgabe (%1) stimmt nicht mit der im originalen " "Molekül (%2) überein." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Ungültiges Molekül. Konformere können nicht erzeugt werden." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Konformere können nicht mit Open Babel erzeugt werden." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Erzeugen von Konformeren (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Konformere erzeugen" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Datei kann mit Open Babel nicht geöffnet werden." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Ungültiges Molekül: Bindungen können nicht erkannt werden." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Bindungen werden erkannt (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "XYZ-Darstellung wird generiert…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Fehler beim Erzeugen der XYZ-Zeichenkette." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Konvertierung von XYZ in Open Babel mit %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Aktualisierung des Moleküls von Open Babel …" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Wasserstoffatome können mit Open Babel nicht hinzugefügt werden." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Wasserstoffatome hinzufügen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Open-Babel-Eingabe wird erstellt…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Fehler beim Erzeugen der Open-Babel-Eingabe." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "%1 wird ausgeführt…" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Füge Wasserstoffatome für den pH-Wert hinzu" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Open-Babel-Eingabe generieren…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Mit Open Babel können keine Wasserstoffatome entfernt werden." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Wasserstoffatome entfernen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Fehler beim Erstellen von Open-Babel-Daten." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Ausgabe von Open Babel lesen…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel wird bereits ausgeführt. Warten Sie, bis der andere Vorgang " "abgeschlossen ist, und versuchen Sie es erneut." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Mit OpenBabel-Dienstprogrammen interagieren." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&ÖffneMM-Skript…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "ÖffneMM Eingabe" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Eingaben für OpenMM generieren." #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " "Vorschauabschnitt des OpenMM-Eingabe werden dabei verworfen." #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "oben" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Wahr" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Referenzachsen in der Ecke des Displays rendern." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Erweiterungen verwalten…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Paket-Installer" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Avogadro-Pakete installieren, aktualisieren und entfernen." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Fehler beim Herunterladen der Erweiterungen-Liste: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Fehler: leere Antwort vom Server." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Fehler beim Abrufen der README-Datei: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nichts ausgewählt" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" "Aktivieren Sie das Feld neben einer Erweiterung, um diese zu installieren " "oder zu aktualisieren." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (erfordert %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Inkompatibilität" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Die folgenden Plugins benötigen eine neuere Version von Avogadro:\n" "\n" "%1\n" "\n" "Installieren?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "Kein Download verfügbar" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, fuzzy, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Das ausgewählte Plugin(s) stellt keine herunterladbare Quell-URL zur " "Verfügung:\n" "\n" "(X66X)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Download von %1 fehlgeschlagen: Status %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Der Download von %1 ist fehlgeschlagen: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, fuzzy, qt-format msgid "Downloading %1 to %2\n" msgstr "%1 wird zu %2 herunterladen\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Extrahiere %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extrahieren vollständig (%1 files)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Fehler: konnte das extrahierte Paket %1 nicht auf %2 verschieben\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Extraktionsfehler: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Extraktion ergab keine Dateien.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Installation abgeschlossen\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nichts zu entfernen" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" "Aktivieren Sie das Feld neben einer installierten Erweiterung, um diese zu " "entfernen." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Plugins entfernen" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Ausgewählte %n Erweiterung entfernen?" msgstr[1] "Ausgewählte %n Erweiterungen entfernen?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Dateien behalten" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Dateien löschen" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Erweiterungspfad auswählen" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Ungültiges Verzeichnis" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "Das ausgewählte Verzeichnis enthält keine pyproject. toml Datei." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Plugin bereits als symlink installiert: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Symlink erstellt: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" "Erstellung eines Symlinks fehlgeschlagen; kopiere Dateien stattdessen...\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Kopieren des Paket zu %1 fehlgeschlagen." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Installiere Erweiterung von %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Nicht installiert" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Installiert (aktuell)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Aktualisierung verfügbar" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Lokal installiert (nicht im Online-Katalog)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Erfordert Avogadro %1 oder neuer (läuft %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Feature-Symbole:\n" "(%1)" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Version" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Funktionen" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Beschreibung" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Elektrostatik" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Energiemodelle" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Dateiformate" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Eingabe-Erzeuger" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Befehle" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "FEHLER: Konnte die Zip-Datei zum Anzeigen der Inhalte nicht öffnen.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "FEHLER: Konnte die Zip-Datei zum Extrahieren der Inhalte nicht öffnen.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Warnung: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Strg+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Abspieler" #: qtplugins/playertool/playertool.cpp:53 #, fuzzy, qt-format msgid "Animation Tool\t(%1)" msgstr "Animationswerkzeug\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 #, fuzzy msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Start:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Ende:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dynamische Bindung?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Bildfrequenz:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 #, fuzzy msgid "Play" msgstr "Spielen" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Aufzeichnen…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pause" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Video (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Bitmap-Grafik exportieren" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Video (*.mp4);;Video (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Warnung zur GIF-FPS-Unterstützung" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "Das GIF Dateiformat unterstützt keine Bildrate von mehr als 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Video-Datei (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Fehler: Einzelbild kann nicht zum Video hinzugefügt werden." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Abspielwerkzeug" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Trajektorien abspielen" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Konformer-Daten visualisieren…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Konformer-Analyse" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Diagramm-Typ:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Geschwindigkeiten" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Energieeinheiten:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "zu" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Relative Energie (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Kräfte (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Geschwindigkeiten (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Konformer-Daten erzeugen und visualisieren (RMSD oder Energie)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "pair distribution function zeichnen…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Fehler beim Erstellen von PDF-Muster" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Fehlermeldung: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Einen Graphen einer Paarverteilungsfunktion berechnen und zeichnen." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Zeichne theoretisches XRD Diffraktogramm…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Fehler beim Berechnen eines XRD-Musters" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Die Konvertierung des Moleküls in das CIF-Format ist gescheitert." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Die von genXrdPattern gelesenen Daten scheinen beschädigt zu sein!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" "Fehler: die ausführbare Datei von genXrdPattern kann nicht gefunden werden!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Fehler: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "Berechnung und Zeichnen eines theoretischen XRD-Musters mit ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Aktualisieren" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Fehler beim Herunterladen von Plugin-Daten." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Fehler beim Parsen von Plugin-Daten." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Dieses Plugin erfordert bestimmte Pakete zu installieren.\n" "Möchten Sie sie installieren?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Stets" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Niemals" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Gescheiterter Download von %1: Statuscode %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, fuzzy, qt-format msgid "Extracting %1 to %2\n" msgstr "%1 wird zu %2 extrahiert\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, fuzzy, qt-format msgid "Finished %1 files\n" msgstr "%1 Dateien fertig\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 #, fuzzy msgid "Extraction successful\n" msgstr "Extraktion erfolgreich\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, fuzzy, qt-format msgid "Error while extracting: %1" msgstr "Extraktionsfehler: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Installation abgebrochen\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Plugins herunterladen…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Plugins herunterladen" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Plugins von GitHub-Repositories herunterladen." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY-Render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Datei speichern" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Textdatei (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Szene mit PLY rendern." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Renderer …" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Textdatei (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Szene mit POV-Ray rendern." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Zum Ändern der Farbe klicken" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valenz" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Formalladung" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Partialladung" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Bezeichnung" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotop" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Farbe" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 #, fuzzy msgid "Start Atom" msgstr "Atom starten" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Endatom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Bindungsordnung" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Länge (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Kette" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Sekundärstruktur" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Ecke" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Winkel (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energie (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Fragment anpassen" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:1197 #, fuzzy msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Biegung" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Faltblatt" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 Helix" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Brücke" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Wendung" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atomeigenschaften…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bindungseigenschaften…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Winkeleigenschaften…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsionseigenschaften…" #: qtplugins/propertytables/propertytables.cpp:55 #, fuzzy msgid "Residue Properties…" msgstr "Resteneigenschaften…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Konformereneigenschaften …" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tabellen zur Darstellung und Änderung der Atom-, Bindungs-, Winkel- und " "Torsionseigenschaften." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Eigenschaftentabellen" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atomeigenschaften" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bindungseigenschaften" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Winkeleigenschaften" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Torsionseigenschaften" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Konformereneigenschaften" #: qtplugins/propertytables/propertyview.cpp:61 #, fuzzy msgid "Residue Properties" msgstr "Resteneigenschaften" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Partialladungstyp" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Partialladungstyp auswählen:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Ladungstyp ändern…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Atom fixieren" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "X fixieren" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Y fixieren" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Z fixieren" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Fixierung aufheben" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Bindung fixieren" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Winkel fixieren" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Torsionswinkel fixieren" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Fixierung aufheben" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Kann Datei %1 nicht lesen." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Konnte temporäre Datei \"%s\" nicht erstellen." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 #, fuzzy msgid "Renders primitives using QTAIM properties" msgstr "Rendert primitive Strukturen mit Hilfe von QTAIM-Eigenschaften" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekularer Graph …" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molekularer Graph mit freien Elektronenpaaren …" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Atomladung…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Öffne WFN-Datei" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-Dateien (*.wfn);;Alle Dateitypen (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM-Erweiterung" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Quantum-Eingabe" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Eingabe für quantenchemische Methoden erstellen." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Mitte" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Ansicht an den Achsen ausrichten" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Ansicht an den Achsen ausrichten." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Ansicht zurücksetzen" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Ansichtskamera bearbeiten." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Elektrostatische Modelle aus externen Skripten laden." #: qtplugins/scriptfileformats/scriptfileformats.h:30 #, fuzzy msgid "Script File Formats" msgstr "Skriptendateiformate" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Dateileser/-schreiber aus externen Skripten laden." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Alle auswählen" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Keine auswählen" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Auswahl umkehren" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Auswahl nach Element …" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Auswahl nach Atomindex …" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Auswahl nach Rest …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Wähle Gerüstatome……" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Wähle Seitenkettenatome …" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Wasser auswählen" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Auswahl erweitern" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Auswahl einschränken" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Neue Ebene von Auswahl erstellen" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Auswahl ändern" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Auswahl" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Auswahl nach Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Rückgrat auswählen" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Seitenketten auswählen" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Atome nach Indiz auswählen" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Auszuwählende Atome:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Atom auswählen" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Atome nach Resten auswählen" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Auszuwählende Reste:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Auswahl nach Rest" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Auswahl" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Strg+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Auswahl" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Auswahlwerkzeug\t(%1)\n" "\n" "Linke Maustaste:\tAuswahl einzelner Atome, Substituenten und Fragmente\n" "\tbei gedrückter Maustaste Auswahl von Atomgruppen\n" "Rechte Maustaste:\tKlicken ausserhalb des Moleüls löscht die Auswahl\n" "Benutze Strg um zwischen der Auswahl zu wechseln und Umschalttaste für " "weitere Auswahl.\n" "Doppelklick:\tAuswahl eines ganzen Fragmentes." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Atome einfärben" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Auswahlwerkzeug" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Neue Ebene" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Raumgruppe bestimmen…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Symmetrisieren" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Auf asymmetrische Einheit reduzieren" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Toleranz setzen …" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Elementarzelle füllen…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Translationszelle ausfüllen…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Raumgruppe" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" "Symmetriegenerierte Atome basierend auf der Kristallraumgruppe ergänzen." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Alle Atome basierend auf der Kristallraumgruppe ergänzen." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Raumgruppe bestimmen" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Die Raumgruppe ist bereits auf %1 gesetzt.\n" "Möchten Sie diese überschreiben?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Raumgruppenerkennung erfolgreich:\n" "Toleranz: %1 Å\n" "Raumgruppe: %2\n" "Hall-Symbol: %3\n" "Internationales Symbol: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Fehler" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Bestimmung der Raumgruppe schlug fehl.\n" "Möchten Sie es erneut mit anderer Toleranz versuchen?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitive Reduzierung" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Die momentan gewählte Toleranz beträgt: %1.\n" "Mit dieser Toleranz fortfahren?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Die primitive Reduktion ist fehlgeschlagen.\n" "Bitte überprüfen Sie Ihren Kristall und versuchen Sie es erneut mit einer " "anderen Toleranz." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Die Zellkonvertierung ist fehlgeschlagen.\n" "Bitte überprüfen Sie Ihren Kristall und versuchen Sie es erneut mit einer " "anderen Toleranz." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Die Symmetrisierung ist fehlgeschlagen.\n" "Überprüfen Sie Ihren Kristall und versuchen Sie es abermals mit einer " "anderen Toleranz." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "Folgende Raumgruppeninformation wurde erhalten mit einer Toleranz von %1 " "Å:\n" "Internationale Nummer: %2\n" "Hall-Symbol: %3\n" "Internationales Symbol: %4\n" "\n" "Mit dieser Raumgruppe fortfahren?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Toleranz in Å auswählen:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Trinklin" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoklin" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Orthorhombisch" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Rhomboedrisch" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Kubisch" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Elementarzelle erkannt" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "Die aktuelle Einheitszelle scheint eine Elementarzelle zu sein (nicht-90° " "Winkel), aber die Raumgruppe %1 erwartet eine zentrierte konventionelle " "Zelle.\n" "Das Füllen der Einheitszelle kann unter Umständen unerwartete duplizierte " "Atome erzeugen.\n" "\n" "Möchten Sie zunächst eine konventionelle Zelle erzeugen?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Konvertierung der Zelle fehlgeschlagen." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Kristallsystem" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Raumgruppe auswählen" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Raumgruppe" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Raumgruppenmerkmale für Kristalle." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Spektren zeichnen …" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spektren" #: qtplugins/spectra/spectra.h:34 #, fuzzy msgid "Display spectra plots." msgstr "Spektren anzeigen." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infrarot" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Vibronischer CD" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Magnetischer Circulardichroismus" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Elektronisch" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Circulardichroismus" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Zustandsdichte" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Hintergrundfarbe auswählen" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Vordergrundfarbe auswählen" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Farbe des berechneten Spektrums wählen" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Rohspektrenfarbe auswählen" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Farbe des importierten Spektrums wählen" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Wellenlänge (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frequenz (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Schwingungsspektren" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Wellenzahlen (cm-1)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Raman-Spektren" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensität" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Vibrationeller Zirkulardichroismus" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Magnetischer Zirkulardichroismus" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR-Spektren" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "chemische Verschiebung (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Elektronische Spektren" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energie (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "CD-Spektren" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Dichte" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Geglättet" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Roh" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Importiert" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Daten importieren" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV-Dateien (*.csv);;TSV-Dateien (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Oberfläche" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volumen" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Stil:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Moleküloberflächen rendern." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molekülorbitale…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Orbital-Fenster" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Liste der Orbitale anzeigen." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symmetrie" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Besetzung" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molekülorbitale" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Lösungsmittel-zugänglich" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Lösungsmittel ausgeschlossen" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekülorbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronendichte" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spindichte" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Aus Datei" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " von %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Oberflächen erzeugen…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "van-der-Waals Oberfläche rendern." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Van-der-Waals-Moleküloberfläche rendern." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Rendern der Lösungsmittel-zugänglichen molekularen Oberfläche." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Lösungsmittel-exkludierte Oberfläche rendern." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Ein Molekülorbital rendern." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Rendern der Elektronendichte." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Spindichte rendern." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Mit der Datei zur Verfügung gestellte Cube-Datei rendern." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cube-Datei %1" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Berechne Elektronendichte" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Berechnung der Spindichte" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Molekularorbital %L1 wird berechnet" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Rendern abgeschlossen" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Film AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 #, fuzzy msgid "Export Movie" msgstr "Exportiere Video" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Video MP4 (*.mp4);;Video AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Oberfläche lesen und rendern." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render die Szene in eine .svg Datei." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Klasse" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Symmetrie …" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render Symmetrieelemente." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Gruppe %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Strg+3" #: qtplugins/templatetool/templatetool.cpp:83 #, fuzzy msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Zwischenablage" #: qtplugins/templatetool/templatetool.cpp:506 #, fuzzy msgid "Insert Template" msgstr "Templat einfügen" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Liganden einfügen" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 #, fuzzy msgid "Template tool" msgstr "Templatwerkzeug" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Einfache Darstellung von vdW-Sphären." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Starte die Animation" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Stoppe die Animation" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Schwingungsmoden …" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Dialogfeld \"Schwingungsmoden\" anzeigen." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Schwingungsmode definieren." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Schwingungsamplitude definieren." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Schwingungsanimation starten." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Schwingungsanimation stoppen." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Schwingungen" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy msgid "Display vibrational modes." msgstr "Schwingungsmoden anzeigen." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML-Render…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Textdatei (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Die Ansicht mit VRML wiedergeben." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Molekül als Drahtgittermodell wiedergeben." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Bandstruktur berechnen …" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" "Die elektronische Bandstruktur kann nicht berechnet werden: keine " "Einheitszelle!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Die Yaehmop-Anwendung scheiterte mit folgendem Fehler:\n" "(%1)" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" "Die Bandstruktur konnte nicht aus der Ausgabe von Yaehmop gelesen werden!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Nur ein besonderer k-Punkt wurde in Yaehmop-Ausgang gefunden! Zwei oder mehr " "sind erforderlich!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-Raum" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi-Niveau" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Yaehmop kann nicht gefunden werden" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Fehler: %1 konnte nicht gestartet werden" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Eingabe Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Erweiterte Hückel-Rechnungen mit yaehmop ausführen." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) #, fuzzy msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Berechnungseinstellungen" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Platzhaltertext …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Zurücksetzen" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Skript debuggen …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Berechnung absenden …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Eingabe speichern …" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Warteschlange und Programm:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Aktualisieren" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Anzahl Prozessorkerne, die für diesen Job reserviert " "werden sollen.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Prozessorkerne:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Nach Abschluss remote-Dateien löschen:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Job in MoleQueue ausblenden:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Eine System-Popup-Benachrichtigung anzeigen, wenn sich " "der Status des Jobs ändert.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Nach Abschluss Ausgabe öffnen:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Elemente umbenennen" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Fragment einfügen …" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Namen oder Teil eines Namens eingeben, um nur zutreffende Dateien anzuzeigen." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Einfügen" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&In Zwischenablage kopieren" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Strg+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Eingabe aus PDB-Datei erzugen" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB-Datei:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Kraftfeld:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR ausführen" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Vorhandene PQR-Datei laden" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR Datei:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Eingabe-Datei" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Eingabedatei speichern" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS ausführen" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Erfolg!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Strukturdatei laden" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Cube-Datei öffnen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partialladungen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Ladungsmodell:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distanztoleranz:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimale Distanz:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Nur die \"base\" conda-Umgebung existiert. \n" "Möchten sie eine neue Umgebung für Avogadro erzeugen? \n" "Dies erzeugt eine Kopie Ihrer \"base\"-Umgebung.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Umgebungsname:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Wählen Sie die Python-Version aus, die für die Ausführung von Skripten " "verwendet wird.\n" "Damit die Änderungen wirksam werden, muss Avogadro muss neu gestartet werden." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Umgebung:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Einschränkungen hinzufügen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Typ:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Atomindices:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Wert:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Hinzufügen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Optionen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Zwang erhalten" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Auswahl löschen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Alle löschen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinateneditor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Voreinstellung:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distanzeinheit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångström" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Hilfe …" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Einfügen" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Zurücksetzen" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Löschen" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Anwenden" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K-Eingabe" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Alles zurücksetzen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Voreinstellungen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Datei speichern …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Grundeinstellungen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titel:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Dateinamenbasis:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "Job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Berechnen:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basissatz:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funktional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson-Ewald-Typ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson-Ewald-Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "WAHR" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Dateiendung für Open Babel-Konvertierung (Standard - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parameter der Superzelle" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Superzellen-Optionen" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Wiederholung von A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Wiederholung von B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Wiederholung von C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Zellmatrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Anwenden" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "zurückkehren" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ausblenden" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Skaliere Volumen der Einheitszelle" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "neues &Volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Skalierungsfaktor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "jetziges Volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Textbezeichnung" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindungsordnung:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometrieoptimierungsparameter" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Konvergenzkriterien" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energiekonvergenz:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Schrittlimit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " Einheiten" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " Schritte" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradientenkonvergenz:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimierungsmethode" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Kraftfeld:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Eingabe" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "CONV THRESH" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplizität:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Mit:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Ladung:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Von PQR importieren …" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Suchen" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "Name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "Stichwort" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "Synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "Formel" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Suche nach: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formel:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Herunterladen" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Nukleinsäuren einfügen" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) #, fuzzy msgid "DNA/RNA Builder" msgstr "DNA/RNA-Erzeuger" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleinsäuren:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequenz:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "die Anzahl der Basenpaare pro Helixwindung" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Andere" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Basen pro Windung:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Stränge:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Einfach" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Doppelt" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "asparagische Säure" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cystein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "glutenische Säure" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glyzin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleuzin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tyrosin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenylalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Aminosäuren:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequenz (N0 nach C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochemie:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N-Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C-Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Struktur:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "gerade Kette" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α-Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β-Faltblatt" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10-Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π-Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Kettennummer:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Die Kettennummer für das neue Peptid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS-Eingabe" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Kommentare der Eingabedatei" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Einheitenstil während der Simulation auswählen." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Einheiten" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "Real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "Metall" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "Elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Wasser-Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atomstil" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "Winkel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "Bindung" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "Ladung" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "Dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "Ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "Zeile" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) #, fuzzy msgid "meso" msgstr "Mesomerie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "Kugel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "Wellenpaket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Geben Sie einen Namen für die Koordinationsdatei an." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordinatendaten-Datei" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Zusammen" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatur" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Wählen Sie die Anzahl Nosé-Hoover-Ketten des NVT-Ensembles." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH-Ketten" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Zeitschritt" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Name der während der Simulation zu schreibenden XYZ-Datei." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Anzahl der Dimensionen im System." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Abmessungen" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Stil der Z-Grenzen ändern." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Stil der Y-Grenzen ändern." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Stil der X-Grenzen ändern." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Den Stil der Begrenzung in x-, y- und z-Richtung auswählen." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Begrenzung" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Anzahl der Wiederholungen in X-, Y- und Z-Richtung." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Duplizieren" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "X-Richtung duplizieren." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Y-Richtung duplizieren." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Z-Richtung duplizieren." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Gesamtzahl an Zeitschritten, um die Simulation laufen zu lassen." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Gesamtzahl an Schritten" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Anfangsgeschwindigkeiten der Atome für die Simulation definieren." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Anfangsgeschwindigkeiten" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Verteilung der Anfangsgeschwindigkeiten der Atome auswählen." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "Gauß" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "einheitlich" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Ausgabe" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Ausgabeintervall" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Einzeilig" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Mehrzeilig" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Benutze Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Generate…" msgstr "generiert…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Verschiebe um:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotiere um:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Ursprung" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Zentrum des Moleküls" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Zentrum der Auswahl" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-Achse" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-Achse" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-Achse" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Ausgewählte Atome" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Alles Andere" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Konformerensuche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Methode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Anzahl der Konformeren:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Systematische Drehpunkt-Suche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Zufällige Drehpunkt-Suche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Gewichtete Drehpunkt-Suche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Suche durch genetischen Algorithmus" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimierung je Konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Optionen für genetischen Algorithmus" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "Anzahl der Kinder für jede Elterngeometrie" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Kinder:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "Mutationsfrequenz (tiefere Werte = häufigere Mutationen)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Austauschbarkeit:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "Anzahl identischer Generationen vor Erreichen der Konvergenz" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Konvergenz:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy msgid "Scoring method:" msgstr "Methode der Auswahl:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "Score-Methode für den genetischen Algorithmus (RMSD = geometrische " "Entfernung, Energie = niedrigste Energien)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimierungsalgorithmus:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) #, fuzzy msgid "Steepest Descent" msgstr "steilster Abstieg" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "conjugierter Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Einfach" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newtonverfahren" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Nichtbindende Wechselwirkungen beschränken" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Grenzwert van der Waals-Abstand:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energie\" Konvergenz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "Skript" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Eingabekoordinaten:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Eingabetopologie:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Kraftfeld:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Wassermodell:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implizites Lösungsmittel (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referenz" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Genauigkeit:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "einfach" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "gemischt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "doppelt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewaldtoleranz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Einschränkungen:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Wasserstoffbrückenbindungen" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #, fuzzy msgid "False" msgstr "Falsch" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Fehlergrenze:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Kollisionsfrequenz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Druck:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimieren?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Schrittindex" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Zeit" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Fortschritt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "potentielle Energie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "kinetische Energie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Gesamtenergie" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "maximaler Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peakbreite:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wellenlänge:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Die Wellenlänge der Röntgenstrahlung in Ångström.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Die Anzahl der zu berechnenden 2theta Datenpunkte.

Voreinstellung: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) #, fuzzy msgid "Download Selected" msgstr "Ausgewählte herunterladen" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) #, fuzzy msgid "Critical Point Radius:" msgstr "Radius des kritischen Punkts:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radius des Bindungspfads:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstante Größe" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) #, fuzzy msgid "Spectra Visualization" msgstr "Spektrenvisualisierung" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Skalierungsfaktor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) #, fuzzy msgid "X-Axis Minimum:" msgstr "X-Achse Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) #, fuzzy msgid "Y-Axis Minimum:" msgstr "Y-Achse Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peakbreite:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aussehen" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Importierte Spektren:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Schriftgröße:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Anzeigen" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importiert TSVs von experimentellen Spektren, um diese im Diagramm " "übereinanderzulegen." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Hintergrund:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Berechnete Spektren:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Daten exportieren" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Schließen" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "Optionen …" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrollen:\n" "doppelter Linksklick: voreingestellte Achsengrenze wiederherstellen" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualität: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Sehr niedrig" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Niedrig" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mittel" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Hoch" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Sehr hoch" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Oberflächen erzeugen" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Oberfläche:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farbe nach:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Elektrostatisches Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Auflösung:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isoflächenwert:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "Smoothing:" msgstr "Glätten:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Licht" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "stark" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Berechnen" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Video aufnehmen…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekül" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "symmetrieequivalente Atome:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Symmetrie einfrieren" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operationen" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetrieelemente:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgruppen" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgruppen:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Toleranz:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Eng" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Locker" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Sehr locker" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Symmetrie erkennen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Zentren" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formalladung:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: oktahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: trigonal planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: quadratisch planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: trigonal bipyrimidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: quadratisch pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: trigonal prismatisch" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: pentagonal bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: quadratisch antiprismatisch" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Liganden" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "haptisch" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Von der Zwischenablage" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Gruppen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Gruppe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "Amid" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "Carboxylat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "Ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "Phenyl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Schwingungsmodi" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) #, fuzzy msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) #, fuzzy msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Das Fermi Niveau

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Das y-Umfang im Diagramm beschränken?

Default: " "off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "y-Umfang begrenzen?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Anzahl von Dimensionen:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Alexander Minges,Erik Hahn,Geoff " "Hutchison,HUWagner,Hans Christof,Keruskerfuerst,Photon,Steve " "Markgraf,dlonie,kuede,mogli,soc, ,Launchpad Contributions:,Alexander " "Minges,Erik Hahn,Geoff Hutchison,HUWagner,Hans " "Christof,Keruskerfuerst,Photon,Steve " "Markgraf,dlonie,kuede,mogli,soc, ,Launchpad Contributions:,Avogadro " "Team,jochenheil,kuede, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Keruskerfuerst,carsten,jochenheil,kuede,soc, ,Launchpad " "Contributions:,Alexander Hausmann,Alexander Minges,Avogadro Team,Geoff " "Hutchison,Keruskerfuerst,MartinK,carsten,jochenheil,kuede,soc,ucn|, ,Launchpad " "Contributions:,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Geoff " "Hutchison,Keruskerfuerst,MartinK,carsten,jochenheil,kuede,soc,ucn|, ,Launchpad " "Contributions:,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Geoff Hutchison,Keruskerfuerst,MartinK,Simon " "Janich,carsten,jochenheil,kuede,soc,ucn|, ,Launchpad " "Contributions:,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Geoff Hutchison,Keruskerfuerst,MartinK,Matthias Mailänder,Simon " "Janich,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Florian Selent,Geoff Hutchison,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Simon " "Janich,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Florian Selent,Geoff Hutchison,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Michael Schwarz,Simon " "Janich,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Florian Selent,Geoff Hutchison,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Michael Schwarz,Simon " "Janich,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Daniel " "Schury,Daniel Winzen,David Lauenstein,Dennis Baudys,Eduard Gotwig,Florian " "Selent,Friedrich Herbst,Geoff Hutchison,Hendrik Knackstedt,Jan Sonntag,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Maximilian " "Mühlbauer,Michael Schwarz,Niklas,Phillip Sz,Salesome,Scott,Simon " "Janich,Tobias " "Bannert,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Daniel " "Schury,Daniel Winzen,David Lauenstein,Dennis Baudys,Eduard Gotwig,Florian " "Selent,Friedrich Herbst,Geoff Hutchison,Hendrik Knackstedt,Ivan " "Panchenko,Jan Sonntag,Jens Maucher,Keruskerfuerst,MartinK,Matthias " "Mailänder,Maximilian Mühlbauer,Michael Schwarz,Niklas,Phillip " "Sz,Salesome,Scott,Simon Janich,Tobias " "Bannert,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Daniel " "Schury,Daniel Winzen,David Lauenstein,Dennis Baudys,Eduard Gotwig,Florian " "Selent,Friedrich Herbst,Geoff Hutchison,Hendrik Knackstedt,Ivan " "Panchenko,Jan Sonntag,Jens Maucher,Keruskerfuerst,MartinK,Matthias " "Mailänder,Maximilian Mühlbauer,Michael Schwarz,Niklas,Phillip " "Sz,Salesome,Scott,Simon Janich,Tobias " "Bannert,carsten,jochenheil,kuede,soc,spaceflower,ucn|" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,erik_hahn@gmx.de,,,,armin_mohring@web.de,michael.kogan@gmx.net,steve@steve-" "m.de,loniedavid@gmail.com,,,soc@krg-nw.de,,,aleixosk@gmail.com,,avogadro-" "devel@lists.sourceforge.net,d@winzen4.de,,,,,,,,armin_mohring@web.de,,,,coolx67@gmx.at,,,,,,,,simon@ochsenreither.de,,,aleixosk@gmail.com,,avogadro-" "devel@lists.sourceforge.net,,,,,,,,,armin_mohring@web.de,,,,coolx67@gmx.at,,,,tobannert@gmail.com,,,,simon@ochsenreither.de" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Option '%1' bezieht sich auf kein Objekt." #, qt-format #~ msgid "Tab %1" #~ msgstr "Registerkarte %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Fehler: Wert muss Objekt für Schlüssel '%1' sein." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Color Opacity Map bearbeiten…" #~ msgid "ColorOpacityMap" #~ msgstr "ColorOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Farbopazitäts-Karten bearbeiten, hauptsächlich für Volumenrendering." #~ msgid "Cube" #~ msgstr "Cube-Datei" #~ msgid "Enable volume rendering" #~ msgstr "Volumenrendering aktivieren" #~ msgid "Enable surface rendering" #~ msgstr "Oberflächendarstellung einschalten" #~ msgid "Isovalue" #~ msgstr "Isowert" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Fehler beim Abrufen von Metadaten für das Energieskript: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Fehler beim Parsen von Metadaten des Energieskriptes: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Fehler beim Parsen der Metadaten des Energieskriptes: %1\n" #~ "Das Ergebnis ist kein JSON-Objekt.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Skript %1 kann nicht geladen werden" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Überprüfen von %1 Skripten im Pfad %2" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 kJ/mol" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Winkel:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Abbrechen" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(ausstehend)" #~ msgid "unknown molecule" #~ msgstr "unbekanntes Molekül" #~ msgid " & " #~ msgstr " & " #~ msgid "Meshes" #~ msgstr "Polygonnetze" #, fuzzy #~ msgid "Plot RMSD curve…" #~ msgstr "Zeichne RMSD Diagramm…" #~ msgid "Max 2*theta:" #~ msgstr "Max 2*theta:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tabellen zur Darstellung und Änderung der Atom-, Bindungs-, Winkel- und " #~ "Torsionseigenschaften." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Moleküle ausrichten\n" #~ "\n" #~ "Linke Maustaste: \tBis zu zwei Atome auswählen.\n" #~ "\tDas erste Atom ist am Ursprung zentriert.\n" #~ "\tDas zweite Atom ist an der gewählten Achse ausgerichtet.\n" #~ "Rechte Maustaste: \tAusrichtung zurücksetzen.\n" #~ "Doppelklick: \tDas Atom am Ursprung ausrichten." #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Standard:\tNach unten scrollen zu verkleinern, nach oben scrollen zu " #~ "vergrößern\n" #~ "Umgekehrt:\tNach oben scrollen zu verkleinern, nach unten scrollen zu " #~ "vergrößern" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Animationswerkzeug\t(%1)" #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Polygonnetz darstellen." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analytisch" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "…" #~ msgid "&Import..." #~ msgstr "&Importieren …" #~ msgid "Set Color..." #~ msgstr "Farbe festlegen …" #~ msgid "&Export..." #~ msgstr "&Exportieren …" #~ msgid "&Load data..." #~ msgstr "Daten &laden …" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partialladung" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Werkzeug zum Bearbeitung von Bindungen\n" #~ "\n" #~ "Linke Maustaste: \t Drehen der Ansicht.\n" #~ "Mittlere Maustaste: \t Skalieren der Ansicht.\n" #~ "Rechte Maustaste: \t Verschieben der Ansicht.\n" #~ "Doppelklick: \t Zurücksetzen der Ansicht.\n" #~ "\n" #~ "Linksklick & Gleiten auf einer Bindung definiert die Arbeitsebene:\n" #~ "Linksklick & Verschieben eines gebundenen Atoms ändert den " #~ "Bindungswinkel.\n" #~ "Rechtsklick & Verschieben eines gebundenen Atoms ändert die Bindungslänge" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Zeichenwerkzeug\n" #~ "\n" #~ "Linke Maustaste:\tKlicken und ziehen um Atome und Bindungen zu erstellen\n" #~ "Rechte Maustaste:\tAtom löschen" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Messwerkzeuge\n" #~ "\n" #~ "Linke Maustaste:\tWähle bis zu vier Atome.\n" #~ "\tAbstände werden zwischen 1-2 und 2-3 gemessen\n" #~ "\tWinkel wird zwischen 1-3 mit 2 als Scheitelpunkt gemessen\n" #~ "\tDiederwinkel wird zwischen 1-2-3-4 gemessen\n" #~ "Rechte Maustaste:\tZurücksetzen der Messungen." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigationswerkzeug\n" #~ "\n" #~ "Linke Maustaste: \t Klicken und ziehen, um die Ansicht zu rotieren.\n" #~ "Mittlere Maustaste: Klicken und ziehen, um den Zoom zu verändern.\n" #~ "Rechte Maustaste: \t Klicken und ziehen, um die Ansicht zu bewegen.\n" #~ msgid "Animation Tool" #~ msgstr "Animationswerkzeug" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Auswahlwerkzeug (F11)\n" #~ "\n" #~ "Linke Maustaste: \t Auswahl einzelner Atome, Substituenten und Fragmente\n" #~ "\t bei gedrückter Maustaste Auswahl von Atomgruppen\n" #~ "Rechte Maustaste: Klicken ausserhalb des Moleüls löscht die Auswahl\n" #~ "Benutze Strg um zwischen der Auswahl zu wechseln und Umschalttaste für " #~ "weitere Auswahl.\n" #~ "Doppelklick: \t Auswahl eines ganzen Fragmentes." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulationswerkzeug\n" #~ "\n" #~ "Linke Maustaste: \tKlicken und ziehen, um Atome zu bewegen\n" #~ "Rechte Maustaste: \tKlicken und ziehen um ausgewählte Atome zu rotieren.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Einfache Darstellung von VdW-Sphären mit ambienter Verdeckung." #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Geometrie" #~ msgid "Add Unit Cell" #~ msgstr "Elementarzelle hinzufügen" #~ msgid "By Atomic Index" #~ msgstr "Nach Atomindex" #~ msgid "By Distance" #~ msgstr "Nach Distanz" #~ msgid "Select Water…" #~ msgstr "Wasser auswählen…" #~ msgid "&Copy" #~ msgstr "&Kopieren" #~ msgid "Molecule Name:" #~ msgstr "Molekülname:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molare Masse (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemische Formel:" #~ msgid "Number of Atoms:" #~ msgstr "Anzahl von Atomen:" #~ msgid "Number of Bonds:" #~ msgstr "Anzahl von Bindungen:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Line width:" #~ msgid "Line Size:" #~ msgstr "Linienbreite:" #~ msgid "In." #~ msgstr "In." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS-Eingabe (*.in)" #~ msgid "Set Python Path…" #~ msgstr "Pythonpfad angeben…" #~ msgid "Fragment…" #~ msgstr "Fragment …" #~ msgid "Functional Groups" #~ msgstr "funktionelle Gruppen" #~ msgid "Help..." #~ msgstr "Hilfe..." #~ msgid "Save File..." #~ msgstr "Datei speichern..." #~ msgid "Download Plugins..." #~ msgstr "Plugins herunterladen..." #~ msgid "Record Movie..." #~ msgstr "Video aufzeichnen …" #~ msgid "Other..." #~ msgstr "Anderes …" #~ msgid "Connection failed" #~ msgstr "Verbindung fehlgeschlagen" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "Verbindung mit %2:%3 fehlgeschlagen: Verbindung wurde abgelehnt." #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Verbindung mit %1 fehlgeschlagen" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Connection refused" #~ msgstr "Verbindung wurde abgelehnt" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Mit %2:%3 erfolgreich verbunden!" #~ msgid "Filename" #~ msgstr "Dateiname" #~ msgid "Formula" #~ msgstr "Formel" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "YAeHMOP Band Structure" #~ msgstr "YAeHMOP Bandstruktur" #, fuzzy #~ msgid "&Hostname:" #~ msgstr "&Hostname:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigieren" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigieren" #~ msgid "File name:" #~ msgstr "Dateiname:" #~ msgid "Files of type:" #~ msgstr "Dateien von Art:" #~ msgid "Upload" #~ msgstr "Hochladen" #~ msgid "Image:" #~ msgstr "Bild:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elementbezeichnung" #~ msgid "All files (*);;" #~ msgstr "Alle Dateien (*);;" #, qt-format #~ msgid "Error: %1 crashed!" #~ msgstr "Fehler: %1 ist abgestürzt!" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhomboedrisch" #~ msgid "Layer" #~ msgstr "Schicht" #~ msgid "Insert Molecule..." #~ msgstr "Molekül einfügen..." #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Kein Molekülsatz" #~ msgid "Z Å)" #~ msgstr "Z (Å)" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK …" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristall …" #~ msgid "SMILES..." #~ msgstr "SMILES …" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Wasserstoffatome für pH-Wert hinzufügen …" #~ msgid "Atom Properties..." #~ msgstr "Atomeigenschaften …" #~ msgid "Bond Properties..." #~ msgstr "Bindungseigenschaften …" #~ msgid "Angle Properties..." #~ msgstr "Winkeleigenschaften …" #~ msgid "Torsion Properties..." #~ msgstr "Torsionseigenschaften …" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Moleküleigenschaften …" #~ msgid "Create Surfaces..." #~ msgstr "Oberflächen erstellen …" #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetrie" #~ msgid "Insert Fragment..." #~ msgstr "Fragment einfügen …" #~ msgid "Theory:" #~ msgstr "Theorie:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Entfernung (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotierbar" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Länge %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Winkel %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Winkel %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nein" #, fuzzy #~ msgid "Import" #~ msgstr "Importieren" #~ msgid "Insert SMILES" #~ msgstr "SMILES einfügen" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES-Fragment einfügen:" #~ msgid "Insert Crystal" #~ msgstr "Kristall einfügen" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Molekulare Fragmente einfügen, um grössere Moleküle zu bauen" #~ msgid "E&xtensions" #~ msgstr "Erweiterungen" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "Geometrie &optimieren" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrie-Optimierung" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Wasserstoffatome hinzufügen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Oberflächen" #~ msgid "Color by Index" #~ msgstr "Farbe nach Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Farbe nach Index (rot, orange, gelb, grün, blau, violett)." #~ msgid "Color by Partial Charge" #~ msgstr "Farbe nach Partialladung" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Farbe nach atomarer Teilladung (blau = positiv, rot = negativ)." #~ msgid "Custom Color:" #~ msgstr "Benutzerdefinierte Farbe:" #~ msgid "Set custom colors for objects" #~ msgstr "Benutzerdefinierte Farben für Objekte festlegen" #~ msgid "Color by Distance" #~ msgstr "Farbe nach Abstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Farbe nach Abstand vom ersten Atom." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farbe nach Element (Kohlenstoff = grau, Sauerstoff = rot, …)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Farbe nach Rest (Aminosäurentyp, Hydrophobie, …)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Muster:" #~ msgid "Highlight Color:" #~ msgstr "Farbe für Hervorhebungen:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Farbe nach SMARTS Muster" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Besonderheiten hervorheben, die mit einem SMARTS Muster übereinstimmen" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Achsen" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "x-, y- und z-Achsen am Ursprung zeichnen" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Zeichnet Grundgerüst mit Kugeln (Atome) und Stäben (Bindungen)" #~ msgid "Dipole" #~ msgstr "Dipol" #~ msgid "Hydrogen Bond" #~ msgstr "Wasserstoffbindung" #~ msgid "Renders hydrogen bonds" #~ msgstr "Wasserstoffbindungen anzeigen" #~ msgid "Select Atom Labels Color" #~ msgstr "Atombeschriftungs-Farbe auswählen" #~ msgid "Select Bond Labels Color" #~ msgstr "Bindungsbeschriftungs-Farbe auswählen" #~ msgid "Select Bond Labels Font" #~ msgstr "Bindungsbeschriftung-Schriftart auswählen" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Zeichnet Atome als Tetraeder, Oktaeder oder andere Polygone" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Zeichnet das Proteinrückgrat als Band" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Zeichnet Ringe mit farbigen Ebenen" #~ msgid "Simple Wireframe" #~ msgstr "Einfaches Drahtgitter" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Zeichnet Bindungen als Drähte (Linien), ideal für grosse Moleküle" #~ msgid "Van der Waals Spheres" #~ msgstr "Van-der-Waals-Radien" #~ msgid "Stick" #~ msgstr "Stab" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektronendichte, Isofläche = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, Isofläche = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Zeichnet Bindungen als Drahtgitter (Linien), ideal für sehr grosse " #~ "(Bio)moleküle" #~ msgid "Trajectory files" #~ msgstr "Trajektoriendateien" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY-Dateien" #~ msgid "Open Trajectory File" #~ msgstr "Trajektoriendatei öffnen" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi Erweiterung hinzufügen" #~ msgid "Animation..." #~ msgstr "Animation …" #~ msgid "Cannot read file format of file %1." #~ msgstr "Das Dateiformat der Datei %1 kann nicht gelesen werden." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Trajektorien-Dateien %1 konnte nicht gelesen werden." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Es muss ein gültiger Dateiname einer .avi-Datei angegeben werden" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL-Widget wurde nicht ordnungsgemäss initialisiert, um das Video zu " #~ "speichern" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Ungültiger Video-Dateiname. Muss vollständigen Verzeichnispfad enthalten" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Ungültiger Videodateiname. Ein vollständiger Pfad und Name inklusive " #~ "Endung .avi muss angegeben werden." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Format nicht über Dateinamen bestimmt werden: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animiere Trajektorien, Reaktionen und Vibrationen" #~ msgid "Cartesian Editor" #~ msgstr "Kartesischer Koordinaten-Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Keine Elementarzelle für das Molekül definiert – Gitterkoordinaten können " #~ "nicht benutzt werden." #~ msgid "Cartesian Editor..." #~ msgstr "Kartesischer Koordinaten-Editor …" #~ msgid "Cartesian editor" #~ msgstr "Kartesischer Koordinaten-Editor" #~ msgid "Number of atoms: %1" #~ msgstr "Anzahl der Atome: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Anzahl der rotierbaren Bindungen: %1" #~ msgid "Add constraint" #~ msgstr "Einschränkung hinzufügen" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens einem Atom bestehen, um eine " #~ "Einschränkung hinzuzufügen" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens zwei Atomen bestehen, um eine Bindungs-" #~ "Einschränkung hinzuzufügen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens drei Atomen bestehen, um eine Winkel-" #~ "Einschränkung hinzuzufügen" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens vier Atomen bestehen, um eine Torsion-" #~ "Einschränkung hinzuzufügen" #~ msgid "&Crystallography" #~ msgstr "&Kristallografie" #~ msgid "&Reduce" #~ msgstr "&Vereinfachen" #~ msgid "&Length Unit" #~ msgstr "&Längeneinheit" #~ msgid "&Angle Unit" #~ msgstr "&Winkeleinheit" #~ msgid "Coordinate &Preservation" #~ msgstr "Koordinaten &Beibehalten" #~ msgid "&Matrix Display" #~ msgstr "&Matrixanzeige" #~ msgid "Hide &Editors" #~ msgstr "&Editoren verstecken" #~ msgid "Show &Editors" #~ msgstr "&Editoren anzeigen" #~ msgid "Hide &Property Display" #~ msgstr "&Eigenschaften verstecken" #~ msgid "Show &Property Display" #~ msgstr "&Eigenschaften anzeigen" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Gittertyp: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Raumgruppe: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Elementarzellenvolumen: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefiniert" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklin" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklin" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombisch" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubisch" #~ msgid "Paste Crystal" #~ msgstr "Kristall einfügen" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Die Niggli-Reduktion schlug fehl. Die Struktur des ursprünglichen Gitters " #~ "führt im Niggli-Algorhythmus zu keinem eindeutigen Resultat. Versuchen " #~ "Sie nun eine Lösung durch kleine Änderungen der Zellparameter (ca. 2 " #~ "Grössenordnungen kleiner als die Fehlerwerte)." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Zelle konnte nach 1.000 Iterationen des Reduktionsalgorithmuses nicht " #~ "reduziert werden. Breche ab." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "In Standard&orientierung drehen" #~ msgid "&Slab..." #~ msgstr "&Platte …" #~ msgid "Perceive Space&group..." #~ msgstr "Raum&gruppe erkennen …" #~ msgid "Set &Spacegroup..." #~ msgstr "&Raumgruppe festlegen …" #~ msgid "&Fill Unit Cell" #~ msgstr "Elementarzelle aus&füllen" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Die Elementarzelle mit der aktuellen Raumgruppe ausfüllen." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Zu &assymetrischer Einheit reduzieren" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Entferne Atome in äquivalenten Positionen" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Kristall symmetrisieren" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Zelle reduzieren (&Primitiv)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Picometer" #~ msgid "&Degree" #~ msgstr "&Grad" #~ msgid "&Radian" #~ msgstr "&Bogenmaß" #~ msgid "Display &cartesian coordinates" #~ msgstr "&Kartesische Koordinaten anzeigen" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "&Kartesische Koordinaten währen Zellmodifikation beibehalten" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "&Gitterkoordinaten während Veränderung der Zelle beibehalten" #~ msgid "Display &cartesian matrix" #~ msgstr "&Kartesische Matrix anzeigen" #~ msgid "Display &fractional matrix" #~ msgstr "&Gittermatrix anzeigen" #~ msgid "Display as &row vectors" #~ msgstr "Als &Zeilenvektor anzeigen" #~ msgid "Display as &column vectors" #~ msgstr "Als &Spaltenvektor anzeigen" #~ msgid "&Crystal View Options..." #~ msgstr "&Kristall-Anzeigeoptionen …" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Diesem Dokument wurde keine Raumgruppe zugeordnetn.\n" #~ "\n" #~ "Möchten Sie jetzt eine Raumgruppe setzen?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Raumgruppe P1 erkannt – Für diese Raumgruppe kann nicht symmetrisiert " #~ "werden.\n" #~ "\n" #~ "Möchten Sie es erneut mit anderer Toleranz versuchen?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Atome an Zelle anschmiegen" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Auf die Niggli-Zelle reduzieren" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Wähle Toleranz in aktuellen kartesischen Einheiten:" #~ msgid "Crystallography" #~ msgstr "Kristallographie" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Periodische Strukturen erstellen und analysieren." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Die Eingabe liegt nicht in einem\n" #~ "der folgenden unterstützen Formaten vor:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP-Format\n" #~ msgid "Bad Compostion" #~ msgstr "Schlechte Zusammenstellung" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Die Identitätsfelder müssen die gleiche Anzahl an Raumtrennereinträgen " #~ "enthalten wie Zeile sechs des POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Kartesische Koordinaten" #~ msgid "Fractional Coordinates" #~ msgstr "Gitterkoordinaten" #~ msgid "Set Fractional Coordinates" #~ msgstr "Gitterkoordinaten festlegen" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Zellmatrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Elementarzellenmatrix festlegen" #~ msgid "Set Unit Cell Params" #~ msgstr "Elementarzellenparameter festlegen" #~ msgid "Working..." #~ msgstr "Wird bearbeitet …" #~ msgid "Build" #~ msgstr "Version" #~ msgid "Cut Slab From Crystal" #~ msgstr "Schneide vom Kristall eine Platte ab" #~ msgid "No GLWidget?" #~ msgstr "Kein GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Bitte wählen Sie ein oder mehrere Atome aus" #~ msgid "Trajectory..." #~ msgstr "Trajektorie …" #~ msgid "Open chemical file format" #~ msgstr "Öffne chemisches Dateiformat" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemische Datei (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Parameterdatei öffnen" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemische Datei (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importiere Trajektorie" #~ msgid "Import trajectory files" #~ msgstr "Importiere Trajektorien-Datei" #~ msgid "Calculate Energy" #~ msgstr "Berechne Energie" #~ msgid "Conformer Search..." #~ msgstr "Konformerensuche …" #~ msgid "Constraints..." #~ msgstr "Einschränkungen …" #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Kann die momentan ausgewählten Kraftfelder für dieses Molekül nicht " #~ "erstellen. Bitte zu UFF wechseln." #~ msgid "Geometric Optimization" #~ msgstr "Geometrie-Optimierung" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematische Drehpunkt-Suche" #~ msgid "Random Rotor Search" #~ msgstr "Zufällige Drehpunkt-Suche" #~ msgid "Weighted Rotor Search" #~ msgstr "Gewichtete Drehpunkt-Suche" #~ msgid "Genetic Algorithm Search" #~ msgstr "Suche nach genetischem Algorythmus" #~ msgid "ForceField" #~ msgstr "Kraftfeld" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Moleküle optimieren und Konformeren mittels molekülmechanischer " #~ "Kraftfelder erzeugen" #~ msgid "&Vector Graphics..." #~ msgstr "&Vektorgrafiken …" #~ msgid "Common vector image formats" #~ msgstr "Allgemeine Vektorbilddateien" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vektorgrafiken exportieren" #~ msgid "Change H to Methyl" #~ msgstr "Ersetze Wasserstoff durch Methyl" #~ msgid "H to Methyl" #~ msgstr "Wasserstoff zu Methyl" #~ msgid "H2Methyl" #~ msgstr "H-zu-Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Wandle Wasserstoffatome in Methylgruppen um" #~ msgid "Add or remove hydrogens" #~ msgstr "Hinzufügen oder entfernen von Wasserstoffatomen" #~ msgid "Insert DNA/RNA chains" #~ msgstr "DNA/RNA-Sequenzen einfügen" #~ msgid "Peptide..." #~ msgstr "Peptid …" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Oligopeptidsequenz einfügen" #~ msgid "Invert Chirality" #~ msgstr "Chiralität umkehren" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Chiralitätszentren umkehren" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "Unbekannt" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Geschätztes Dipolmoment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Standard-Moleküleigenschaften anzeigen" #~ msgid "Fetch by chemical name..." #~ msgstr "Nach chemischem Namen abrufen …" #~ msgid "Fetch from URL..." #~ msgstr "Von URL herunterladen …" #~ msgid "PDB Entry" #~ msgstr "PDB-Eintrag" #~ msgid "PDB entry to download." #~ msgstr "PDB Eintrag herunterladen" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL des Moleküls zum Downloaden" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Spezifiziertes Molekül konnte nicht geladen werden: %1" #~ msgid "Network Fetch" #~ msgstr "Von Netzwerk herunterladen" #~ msgid "Fetch molecule files over the network." #~ msgstr "Moleküldateien über das Netzwerk herunterladen." #~ msgid "Show Preview" #~ msgstr "Vorschau anzeigen" #~ msgid "Hide Preview" #~ msgstr "Vorschau ausblenden" #~ msgid "Intensities" #~ msgstr "Intensitäten" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Speichere mit POV-Ray gerendertes Bild" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Bilddateien (.*png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray …" #~ msgid "No valid filename was supplied." #~ msgstr "Es wurde kein gültiger Dateiname vorgeschlagen." #~ msgid "Does not compute." #~ msgstr "Wird nicht berechnet." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Sie haben kein direktes Rendern mittels POV-Ray und das Verwerfen der POV-" #~ "Ray-Datei angefragt. Es wird keine Ausgabe gespeichert. Sind Sie sicher, " #~ "dass Sie dies möchten?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Kann nicht in Datei %1 schreiben. Haben Sie die Rechte, an diese Stelle " #~ "zu schreiben?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray-Start fehlgeschlagen." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray-Start fehlgeschlagen. Möglicherweise ist der Pfad zur " #~ "ausführbaren Datei nicht korrekt." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Erzeuge POV-Ray-Dateien und rendere diese mittels des POV-Ray-" #~ "Kommandozeilenprogramms." #~ msgid "Conformer Properties..." #~ msgstr "Konformereneigenschaften …" #~ msgid "Python Terminal" #~ msgstr "Python-Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktives Python-Skripte-Terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Warnung des Abinit-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Abinit-Eingabestapels werden dabei verworfen." #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit-Eingabestapel" #~ msgid "Abinit Running." #~ msgstr "Abinit läuft." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit läuft bereits. Bitte waretn Sie, bis die Berechnungen " #~ "abgeschlossen sind." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit ist nicht installiert." #~ msgid "The abinit executable cannot be found." #~ msgstr "Die ausführbare Datei von Abinit kann nicht gefunden werden." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit startete nicht. Möglicherweise ist es nicht korrekt installiert." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit lief nicht korrekt durch. Möglicherweise ist es nicht korrekt " #~ "installiert." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Warnung des Dalton-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Dalton-Eingabestapels werden dabei verworfen." #~ msgid "QM Matches" #~ msgstr "QM-Übereinstimmungen" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP-Auswahl …" #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM-Auswahl …" #~ msgid "You must make a selection!" #~ msgstr "Bitte wählen sie aus!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Konvertierung nicht verfügbar" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format-Konvertierung nicht verfügbar!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Erstelle Eingabedateien für das GAMESS-Quantenchemie-Paket" #~ msgid "Advanced Settings Changed" #~ msgstr "Erweiterte Einstellungen geändert" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Erweiterte Einstellungen wurden geändert.\n" #~ "Verwerfen?" #~ msgid "Advanced Settings Reset" #~ msgstr "Erweiterte Einstellungen zurücksetzen" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Erweiterte Einstellungen zurücksetzen?\n" #~ "Alle Änderungen gehen dabei verloren!" #~ msgid "Basic Settings Reset" #~ msgstr "Grundeinstellungen zurücksetzen" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Grundeinstellungen zurücksetzen?Alle Änderungen gehen dabei verloren!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Warnung des GAMESS-UK-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des GAMESS-UK-Eingabestapels werden dabei verworfen." #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK-Eingabestapel" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Warnung des Gaußschen Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Gaußschen Eingabestapels werden dabei verworfen." #~ msgid "Gaussian Input Deck" #~ msgstr "Gaußscher Eingabestapel" #~ msgid "Gaussian Running." #~ msgstr "Gaus´sche Berechnungen laufen" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian Rechnung läuft bereits. Warten Sie, bis die vorherige Berechnung " #~ "abgeschlossen ist." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian nicht installiert" #~ msgid "The G03 executable, cannot be found." #~ msgstr "Die ausführbare G03 Datei kann nicht gefunden werden." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 ist nicht gestartet" #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaußsche Berechnung läuft …" #~ msgid "G03 Crashed." #~ msgstr "G03 abgestürzt." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian Rechnung wurde nicht korrekt ausgeführt. Vielleicht ist es nicht " #~ "korrekt installiert." #~ msgid "&Abinit..." #~ msgstr "&Abinit …" #~ msgid "&Dalton..." #~ msgstr "&Dalton …" #~ msgid "&Gaussian..." #~ msgstr "&Gaußsches …" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO …" #~ msgid "&NWChem..." #~ msgstr "&NWChem …" #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem …" #~ msgid "&TeraChem..." #~ msgstr "&TeraChem …" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Warnung des Molpro-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Molpro-Eingabestapels werden dabei verworfen." #~ msgid "Molpro Input Deck" #~ msgstr "Molpro-Eingabestapel" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC-Eingabe-Warnung" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC-Eingabestapel" #~ msgid "MOPAC Running." #~ msgstr "MOPAC läuft." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC läuft bereits. Warten Sie bis die vorhergehende Berechnung beendet " #~ "ist." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC ist nicht installiert." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Die MOPAC-Ausführungsdatei wurde nicht gefunden." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC-Start fehlgeschlagen." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC hat nicht gestartet. Vielleicht wurde es nicht richtig installiert." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC-Berechnung läuft …" #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC abgestürzt." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC lief nicht richtig. Vielleicht wurde es nicht richtig installiert." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Warnung des NWChem-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des NWChem-Eingabestapels werden dabei verworfen." #~ msgid "NWChem Input Deck" #~ msgstr "NWChem-Eingabestapel" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Möchten Sie die Textvorschau aktualisieren? Alle Änderungen des Psi4 " #~ "Input-decks gehen verloren." #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input-deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Warnung des Q-Chem-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Q-Chem-Eingabestapels werden dabei verworfen." #~ msgid "QChem Input Deck" #~ msgstr "QChem-Eingabestapel" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Warnung des TeraChem-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des TeraChem-Eingabestapels werden dabei verworfen." #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem-Eingabestapel" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS auswählen …" #~ msgid "Add Named Selection..." #~ msgstr "Benannte Auswahl hinzufügen …" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS-Auswahl" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS-Muster auswählen" #~ msgid "There is no current selection." #~ msgstr "Es gibt keine aktuelle Auswahl" #~ msgid "Add Named Selection" #~ msgstr "genannte Auswahl hinzufügen" #~ msgid "Name cannot be empty." #~ msgstr "Name kann nicht leer sein." #~ msgid "There is already a selection with this name." #~ msgstr "Es gibt bereist eine Auswahl mit diesem Namen." #~ msgid "Selections" #~ msgstr "Auswahl" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Atome, Bindungen, Reste auswählen …" #~ msgid "GLSL Shaders..." #~ msgstr "GLSL-Shader …" #~ msgid "Open a vertex shader source file" #~ msgstr "Öffne eine Vertex-Shader-Quelldatei" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex-Shader-Dateien (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Öffne eine Fragment-Shader-Quelldatei." #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment-Shader-Datei (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Öffne eine Shader-Parameter-Datei" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader-Parameter-Dateien (\".params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL-Shader" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Lade und benutze OpenGL 2.0 GLSL-Shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensität (willkürliche Einheiten)" #~ msgid "Density of States (states/cell)" #~ msgstr "Zustandsdichte (Zustand/Zelle)" #~ msgid "Density of States (states/atom)" #~ msgstr "Zustandsdichte (Zustand/Atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Zustandsdichte (Zustand/Valenzelektron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittierung (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbierung (%)" #~ msgid "No intensities" #~ msgstr "Keine Intensitäten" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Die Vibrationsdaten in dem Molkül, welches Sie geladen haben, hat keine " #~ "Intensitätsdaten. Intensitäten wurden auf einen willkürlichen Wert für " #~ "die Visualisierung gesetzt." #~ msgid "Activity" #~ msgstr "Aktivität" #~ msgid "X Axis" #~ msgstr "X-Achse" #~ msgid "Y Axis" #~ msgstr "Y-Achse" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrarotspekten-Einstellungen" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR-Spektren-Einstellungen" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV-Einstellungen" #~ msgid "&CD Settings" #~ msgstr "&CD-Einstellungen" #~ msgid "&Raman Settings" #~ msgstr "&Raman-Einstellungen" #~ msgid "No data" #~ msgstr "Keine Daten" #~ msgid "Dark" #~ msgstr "Dunkel" #~ msgid "Publication" #~ msgstr "Veröffentlichung" #~ msgid "Handdrawn" #~ msgstr "Handgezeichnet" #~ msgid "New Scheme" #~ msgstr "Neues Schema" #~ msgid "Confirm Scheme Removal" #~ msgstr "entfernen des Schemas bestätigen" #~ msgid "Really remove current scheme?" #~ msgstr "Aktuelles Schema wirklich entfernen?" #~ msgid "Change Scheme Name" #~ msgstr "Ändere Name des Schemas" #~ msgid "Enter new name for current scheme:" #~ msgstr "Einen neuen Namen für das aktuelle Schema eingeben:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab-getrennte Werte (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-getrennte Werte" #~ msgid "Comma Separated Values" #~ msgstr "Komma-getrennte Werte" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spektren importieren" #~ msgid "Unknown extension: %1" #~ msgstr "Unbekannte Erweiterung: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR Daten (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomol IR Daten (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV-Daten (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD-Daten (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Datenformat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Spektraldaten laden" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD-Datei weist ungültige Formatierung auf : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "markiertes Bild-Datei-Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Punktegrafik" #~ msgid "Portable Pixmap" #~ msgstr "austauschbare Pixelgrafik" #~ msgid "X11 Bitmap" #~ msgstr "X11 Punktegrafik" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixelgrafik" #~ msgid "Save Spectra Image" #~ msgstr "Spektralabbild speichern" #~ msgid "Image successfully written to %1" #~ msgstr "Abbild erfolgreich nach %1 geschrieben" #~ msgid "&Advanced <<" #~ msgstr "&Erweitert <<" #~ msgid "&Advanced >>" #~ msgstr "&Erweitert >>" #~ msgid "&Spectra..." #~ msgstr "&Spektren …" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Spektraldaten von Quanten-Chemie-Berechnungen anzeigen" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrationsanalyse" #~ msgid "No vibrational displacements exist." #~ msgstr "Es existiert keine Verschiebung durch Vibration." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Vibrationsmodi aus den Quantenchemieberechnungen visualisieren" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "%1 Vibrationen werden nach Frequenz sortiert …" #~ msgid "Super Cell Builder..." #~ msgstr "Superzellen-Erzeugung …" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dieses Dokument ist momentan ein isoliertes Molekül. Sie müssen eine " #~ "Elementarzelle erzeugen." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Erzeuge und zeige kristallographische Superzellen" #~ msgid "Molecular Orbitals..." #~ msgstr "Molekülorbitale …" #~ msgid "Orbitals" #~ msgstr "Orbitale" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nichts" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronendichte" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Fehler - undefinierter Typ" #~ msgid "Calculating VdW Cube" #~ msgstr "Berechne VdW-Würfel" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Berechne MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Oberflächen mit elektrostatischem Potenzial werden noch nicht unterstützt." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Berechne Molekülorbitale und andere Oberflächen" #~ msgid "&Nanotube Builder..." #~ msgstr "Kohlenstoff&nanoröhren-Erzeugung …" #~ msgid "Nanotube Builder" #~ msgstr "Kohlenstoffnanoröhren-Erzeugung" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Ungültige Kohlenstoffnanoröhren-Spezifikation" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Die gewünschte Kohlenstoffnanoröhre kann aus folgendem Grund nicht " #~ "erzeugt werden:\n" #~ "\n" #~ "Entweder »n« oder »m« muss größer als 1 sein." #~ msgid "Insert Nanotube" #~ msgstr "Kohlenstoffnanoröhre einfügen" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT-Erzeugung" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Einwandige Kohlenstoffnanoröhren konstruieren." #~ msgid "Building..." #~ msgstr "Erstellung läuft …" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Das GL-Widget wurde nicht ordnungsgemäss initialisiert, um ein Video " #~ "herzustellen." #~ msgid "GL widget has no molecule" #~ msgstr "Das GL-Widget besitzt kein Molekül" #~ msgid "Building video " #~ msgstr "Erstelle Video " #~ msgid "Could not run mencoder." #~ msgstr "mencoder konnte nicht ausgeführt werden." #~ msgid "Set Aspect Ratio" #~ msgstr "Seitenverhätnis einstellen" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Die aktuelle Avogadroanischt ist %1x%2 Pixel gross und besitzt daher ein " #~ "Anzeigeverhältnis von %3.\n" #~ "Sie können diesen Wert beibehalten, falls Sie zum Beispiel POV-Ray " #~ "benutzen möchten\n" #~ "um ein BIld von %4x1000 Pixeln zu erzeugen oder Sie können einen anderen " #~ "positiven Werte eingeben,\n" #~ "zum Beispiel 1 falls Sie mit POV-Ray ein quadratisches Bild, wie 1000 x " #~ "1000 Pixel, erzeugen möchten." #~ msgid "Connect" #~ msgstr "Verbinden" #~ msgid "Disconnect" #~ msgstr "Trennen" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii-Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Verfolge Bewegung mittels Wii-Fernbedienungen" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Ungültige OpenGL-Umgebung.\n" #~ "Entweder ist Ihre gesamte OpenGL-Installation fehlerhaft (können Sie " #~ "irgend eine OpenGL Anwendung ausführen?), oder Sie haben einen " #~ "Programmfehler gefunden." #~ msgid "Debug Information" #~ msgstr "Debug-Informationen" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Neue Größe %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atome: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: Index %1 außerhalb des Bereichs" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Dateityp '%1' wird zum Lesen nicht unterstützt" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Dateityp für die Datei '%1' wird für das Lesen nicht unterstützt" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Lesen des Moleküls mit Index %1 von der Datei '%2' fehlgeschlagen" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Molekül ersetzten: Index %1 außerhalb des Bereichs" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Dateityp '%1' wird für das Schreiben nicht unterstützt" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Dateityp für Datei '%1' wird fürs Schreiben nicht unterstützt" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Kann Datei '%1' zum Lesen nicht öffnen" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Ersetzen des Moleküls mit Index %1 in Datei '%2' ist fehlgeschlagen" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Datei %1 kann fürs Schreiben nicht geöffnet werden" #~ msgid "File %1 can not be opened for writing." #~ msgstr "Datei %1 kann fürs Schreiben nicht geöffnet werden." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Speichern der Moleküldatei gescheitert – Originaldatei konnte nicht " #~ "umbenannt werden." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Speichern der Moleküldatei gescheitert – neue Datei konnte nicht " #~ "umbenannt werden." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Speichern der Moleküldatei gescheitert – alte Datei konnte nicht gelöscht " #~ "werden." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Das Speichern eines Moleküls in Datei '%1' ist fehlgeschlagen. Eine " #~ "Funktion von OpenBabel war fehlerhaft." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Datei %1 kann fürs Lesen nicht geöffnet werden" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Schreiben der Konformeren in die Datei »%1« gescheitert." #~ msgid "Molecule %1" #~ msgstr "Molekül %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unbekannte Python-Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "Python-Engine: Prüfe " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - Das Skript hat keine 'Engine'-Klasse definiert" #~ msgid " - no module" #~ msgstr " - kein Modul" #~ msgid "Unknown Python Extension" #~ msgstr "Unbekannte Python-Erweiterung" #~ msgid "PythonExtension: checking " #~ msgstr "Python-Erweiterung: Prüfe " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - Das Skript hat keine 'Erweiterungs'-Klasse definiert." #~ msgid "Unknown Python Tool" #~ msgstr "Unbekanntes Python-Werkzeug" #~ msgid "PythonTool: checking " #~ msgstr "Python-Werkzeug: Prüfe " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - Das Skript hat keine 'Werkzeug'-Klasse definiert" #~ msgid "Tools" #~ msgstr "Werkzeuge" #~ msgid "Align:" #~ msgstr "Ausrichten:" #~ msgid "Everything" #~ msgstr "Alles" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Autooptimierungs-Werkzeug\n" #~ "\n" #~ "Steuerung durch Klicken auf freie Fläche.\n" #~ "Linke Maustaste: \t Rotieren\n" #~ "Mittlere Maustaste: \t Skalieren\n" #~ "Rechte Maustaste: \t Verschieben\n" #~ "Doppelklick: \t Zurücksetzen\n" #~ "\n" #~ "Während des Arbeitens:\n" #~ "Linke Maustaste: \t Markiere und verschiebe einzelne Atome." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Kraftfeld konnte nicht eingerichtet werden …" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Automatische Optimierung: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num-Grenzen: %1" #~ msgid "Steps per Update:" #~ msgstr "Schritte pro Aktualisierung:" #~ msgid "Algorithm:" #~ msgstr "Algorithmus:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Moleküldynamik (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Moleküldynamik (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Gesperrte Atome sind beweglich" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorierte Atome sind beweglich" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt-Molekül" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatische Optimierung der Molekülgeometrie" #~ msgid "AutoOptimization Settings" #~ msgstr "Einstellungen: Automatisches Optimieren" #~ msgid "Auto Rotation Tool" #~ msgstr "Automatisches Rotieren" #~ msgid "x rotation:" #~ msgstr "Rotation um x-Achse:" #~ msgid "x rotation" #~ msgstr "Rotation um x-Achse" #~ msgid "y rotation:" #~ msgstr "Rotation um y-Achse:" #~ msgid "y rotation" #~ msgstr "Rotation um y-Achse" #~ msgid "z rotation:" #~ msgstr "Rotation um z-Achse:" #~ msgid "z rotation" #~ msgstr "Rotation um z-Achse" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatische Rotation von Molekülen" #~ msgid "AutoRotate Settings" #~ msgstr "Einstellungen: Rotation" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bindungslänge: %L1" #~ msgid " Show Angles" #~ msgstr " Winkel anzeigen" #~ msgid "Snap-to Threshold: " #~ msgstr "Einrast-Schwelle: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bindungsorientiertes Bearbeiten" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Bearbeitung von Bindungslängen, -winkeln und -torsionen." #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Einstellungen: Bindungsorientiertes Bearbeiten" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Entfernung (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Entfernung (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Winkel: %1*" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Abstände:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Messe Bindungslängen, -winkel und Dieder" #~ msgid "Draw Bond" #~ msgstr "Bindung zeichnen" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Zeichne und editiere Atome und Bindungen" #~ msgid "Draw Settings" #~ msgstr "Einstellungen: Zeichnen" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Atome und Fragmente verschieben, drehen und ausrichten" #~ msgid "Manipulate Settings" #~ msgstr "Einstellungen: Atomorientiertes Bearbeiten" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Um aktuelle Ansicht verschieben, drehen und zoomen" #~ msgid "Navigate Settings" #~ msgstr "Einstellungen: Navigation" #~ msgid "Selection Mode:" #~ msgstr "Auswahl-Modus:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Rest" #~ msgid "Add Center of Atoms" #~ msgstr "Atomzentrum hinzufügen" #~ msgid "Change color of the atom" #~ msgstr "Atom-Farbe verändern" #~ msgid "Change label of the atom" #~ msgstr "Beschriftung des Atoms ändern" #~ msgid "Change label of the bond" #~ msgstr "Beschriftung der Bindung ändern" #~ msgid "Change radius of the atom" #~ msgstr "Atomradius verändern" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Neuer Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Atome, Reste und Moleküle auswählen" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bindungslänge" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Winkel" #~ msgid "Z Matrix Editor..." #~ msgstr "Z-Matrix-Editor …" #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Erzeugen/Editieren einer Z-Matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Einstellungen" #~ msgid "Color residues by:" #~ msgstr "Färbe Reste ein nach:" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobie" #~ msgid "Axes:" #~ msgstr "Achsen:" #~ msgid "Cartesian Axes" #~ msgstr "Kartesisches Koordinatensystem" #~ msgid "Orthogonal Axes" #~ msgstr "Senkrechte Koordinatenachsen" #~ msgid "Axis 1:" #~ msgstr "Achse 1:" #~ msgid "Axis 2:" #~ msgstr "Achse 2:" #~ msgid "Axis 3:" #~ msgstr "Achse 3:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Vektornorm erhalten" #~ msgid "Atom Radius:" #~ msgstr "Atomradius:" #~ msgid "Bond Radius:" #~ msgstr "Bindungsradius:" #~ msgid "Shape" #~ msgstr "Schatten" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Schleife" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Angepasster Vektor" #~ msgid "Custom:" #~ msgstr "Individuell:" #~ msgid "Width:" #~ msgstr "Strichdicke:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off-Radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off-Winkel:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering-Engine" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbul & Nummer in Gruppe" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atomnummer" #~ msgid "Partial charge" #~ msgstr "Partialladung" #~ msgid "Residue number" #~ msgstr "Restnummer" #~ msgid "Custom data" #~ msgstr "Verschiedene Daten" #~ msgid "Change Font" #~ msgstr "Schriftart ändern" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Textversatz" #~ msgid "Bond length" #~ msgstr "Bindungslänge" #~ msgid "Bond number" #~ msgstr "Bindungsnummer" #~ msgid "Bond order" #~ msgstr "Bindungsanzahl" #~ msgid "Lines" #~ msgstr "Linien" #~ msgid "Radius:" #~ msgstr "Radius:" #~ msgid "Include Nitrogens" #~ msgstr "Stickstoff miteinbeziehen" #~ msgid "VdW Opacity:" #~ msgstr "Van-der-Waals-Transparenz:" #~ msgid "Orbital:" #~ msgstr "Elektronenumlaufbahn:" #~ msgid "Render:" #~ msgstr "Rendere:" #~ msgid "Fill" #~ msgstr "Füllen" #~ msgid "Points" #~ msgstr "Punkte" #~ msgid "Draw Box:" #~ msgstr "Box zeichnen:" #~ msgid "Mapped Colors" #~ msgstr "abgebildete Farben" #~ msgid "Positive" #~ msgstr "Positiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Atome anzeigen" #~ msgid "Animate Trajectory" #~ msgstr "Flugbahn animieren" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Schleife" #~ msgid "Save as .avi..." #~ msgstr "Speichern als .avi …" #~ msgid "Angstroms" #~ msgstr "Ångström" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "Fractional" #~ msgstr "Gitter" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, nur Koordinaten" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS-Eingabe #2" #~ msgid "Priroda Input" #~ msgstr "Priroda-Eingabe" #~ msgid "Apply Changes" #~ msgstr "Änderungen übernehmen" #~ msgid "Cut All" #~ msgstr "Alle Ausschneiden" #~ msgid "Paste to the End" #~ msgstr "Am Ende einfügen" #~ msgid "(None)" #~ msgstr "(Keine)" #~ msgid "Sort by " #~ msgstr "Sortieren nach " #~ msgid "Number of atoms:" #~ msgstr "Anzahl der Atome:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Anzahl der rotierbaren Bindungen:" #~ msgid "Ignore Atom" #~ msgstr "Atom ignorieren" #~ msgid "Fix Atom" #~ msgstr "Atom fixieren" #~ msgid "Fix Atom X" #~ msgstr "Atom fixieren (x-Koordinate)" #~ msgid "Fix Atom Y" #~ msgstr "Atom fixieren (y-Koordinate)" #~ msgid "Fix Atom Z" #~ msgstr "Atom fixieren (z-Koordinate)" #~ msgid "Torsion angle" #~ msgstr "Torsionswinkel" #~ msgid "Save" #~ msgstr "Speichern" #~ msgid "Load" #~ msgstr "Laden" #~ msgid "Atomic &identites:" #~ msgstr "Atomische &Identitäten:" #~ msgid "Plane:" #~ msgstr "Ebene:" #~ msgid "&Miller Indices:" #~ msgstr "MIller-Indices" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Achtung: Nutze Miller-Indices ungleich Null" #~ msgid "Width (x)" #~ msgstr "Größe (x)" #~ msgid "Width (y)" #~ msgstr "Größe (y)" #~ msgid "Height (z)" #~ msgstr "Höhe (z)" #~ msgid "length" #~ msgstr "Länge" #~ msgid "cell repeats" #~ msgstr "Wiederholungen der Einheitszelle" #~ msgid "by arbitrary vector" #~ msgstr "per beliebigen Vektor" #~ msgid "selected atom to unit cell center" #~ msgstr "Zentriere ausgewähltes Atom auf der Einheitszelle." #~ msgid "Translation vector:" #~ msgstr "Translationsvektor:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vektoreinheiten:" #~ msgid "Cartesian" #~ msgstr "Kartesisch" #~ msgid "&Translate" #~ msgstr "&Verschieben" #~ msgid "Crystal View Options" #~ msgstr "Kristall-Anzeigeoptionen" #~ msgid "Unit Cell Repeats:" #~ msgstr "Elementarzellenwiederholungen:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Zeichnen der Einheitszelle(n)?" #~ msgid "One" #~ msgstr "Eins" #~ msgid "All" #~ msgstr "Alle" #~ msgid "Color..." #~ msgstr "Farbe ..." #~ msgid "View Along:" #~ msgstr "Ansicht entlang:" #~ msgid "Default View" #~ msgstr "Standard-Ansicht" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Millersche Indizes" #~ msgid "File Import..." #~ msgstr "Datei-Import …" #~ msgid "Attempt to perceive bonds?" #~ msgstr "Versuchen, Binddungen zu erkennen?" #~ msgid "Setup Force Field" #~ msgstr "Kraftfeld einrichten" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Anzahl der Schritte" #~ msgid "Algorithm" #~ msgstr "Algorithmus" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Blatt" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Anzahl der Residuen:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energie (kJ/mol)" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipol-Moment (D)" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "diskrete Fouriertransformation" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Fortgeschritten" #~ msgid "Control" #~ msgstr "Steuerung" #~ msgid "SCF" #~ msgstr "wissenschaftlicher Lebensmittelausschuß" #~ msgid "Grid" #~ msgstr "Raster" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray-Export" #~ msgid "Select..." #~ msgstr "Auswählen …" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Benutze Vollbildantialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Setze die Hintergrundfarbe auf transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha-Transparenz" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Rendere das Molekül mittels Kommandozeilen-POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Behalte die POV-Ray-Quellen nachdem das Rendern beendet wurde" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Behalte die POV-Ray-Quellen nach dem Rendern" #~ msgid "Path:" #~ msgstr "Pfad:" #~ msgid "Abinit Input" #~ msgstr "Abinit-Eingabe" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartesisch (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduziert" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Kräftetoleranz (Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max. Gitterausweitung:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-Punktverschiebung:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Anzahl der Bänder:" #~ msgid "# k-point shifts:" #~ msgstr "# k-Punktverschiebungen:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Besetzungsschema:" #~ msgid "Wave Function norm" #~ msgstr "Wellenfunktion-Norm" #~ msgid "Relative Force" #~ msgstr "Relative Kraft" #~ msgid "1 - semiconducting" #~ msgstr "1 - Halbleitend" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi-Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Kalt geglättet (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaußsche Unschärfe" #~ msgid "Smearing width (Ha):" #~ msgstr "Unschärfebreite (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - Keine beweglichen Ionen " #~ msgid "1 - viscous damping" #~ msgstr "1 - Zähes dämpfen" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS mit Energie" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrische Zeitschritte:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Glättung der kinetischen Energie (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Berechnen …" #~ msgid "Dalton Input" #~ msgstr "Dalton-Eingabe" #~ msgid "Basics" #~ msgstr "Grundeinstellungen" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Fügt alles was Sie schreiben zu Ihrer Information in die oberste Zeile\n" #~ "der Eingabedatei ein." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-Stil" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarisationskonsistent nach Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Korrelationskonsistent nach Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Kernkorrelationsfunktionen" #~ msgid "Diffuse functions" #~ msgstr "Diffusionsfunktionen" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direkt" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Wenn möglich, parallel laufen lassen. Nur für SCF-Wellenfunktionen\n" #~ "und DFT-Berechnungen möglich. Dalton unterstützt in dieser\n" #~ "Version nur MPI und muss korrekt kompiliert und installiert sein.\n" #~ "Die Anzahl der Knoten wird mit der Option »-N #« beim Ausführen\n" #~ "des Skripts »dalton« festgelegt." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Gitterangaben" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitionierugnsschema" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Gitterqualität" #~ msgid "coarse" #~ msgstr "grob" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fein" #~ msgid "ultrafine" #~ msgstr "ultrafein" #~ msgid "Radial Scheme:" #~ msgstr "Strahlenförmiges Schema:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Alle Funktionale anzeigen" #~ msgid "Property:" #~ msgstr "Eigenschaft:" #~ msgid "Polarizability" #~ msgstr "Polarisierbarkeit" #~ msgid "Frequency Dependent" #~ msgstr "Frequenzabhängigkeit" #~ msgid "No. excitations:" #~ msgstr "Keine Anregungen:" #~ msgid "EFP Matches" #~ msgstr "EFP-Übereinstimmungen" #~ msgid "Group Label:" #~ msgstr "Gruppen-Beschriftung:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Erweiterte Einstellungen" #~ msgid "Hessian" #~ msgstr "Hessematrix" #~ msgid "Stat Point" #~ msgstr "statistischer Punkt" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "Schätzung von MO" #~ msgid "Misc" #~ msgstr "Versch." #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Polarisation-Funktion von schweren Atomen:" #~ msgid "Read" #~ msgstr "Lese" #~ msgid "SBKJC" #~ msgstr "SBKJC Basisset" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "S-Hülle auf schweren Atomen diffusieren" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "L-Hülle auf schweren Atomen diffusieren" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "doppelte Zeta Valenz" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "dreifach Zeta Valenz" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valenz" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valenz" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Typ:" #~ msgid "Default" #~ msgstr "Voreinstellung" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F schwere Atom Polarisationsfunktion" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Lichtatom Polarisationsfunktion" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "maximale SCF Iterationen:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "mühseliger Weg" #~ msgid "Saddle Point" #~ msgstr "Sattelpunkt" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremum eines Gradienten" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "radiaitive Transistion mom." #~ msgid "Spin Orbit" #~ msgstr "Spinlaufbahn" #~ msgid "Finite Electric Field" #~ msgstr "finites elektrisches Feld" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globale Optimierung" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimierung" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensität" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Kein (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Brüder" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Typ:" #~ msgid "Localization Method:" #~ msgstr "Lokalisierungmethode" #~ msgid "Exec Type:" #~ msgstr "Durchführungs-Typ" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinante" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Besetzung des multiplen aktiven Raums eingeschränkt" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Ganz zweiter Ordnung CI" #~ msgid "General CI" #~ msgstr "Allgemeines CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearisiertes CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC mit Doppeln" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC mit Einzeln und Doppeln" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normaler Lauf" #~ msgid "Check" #~ msgstr "Prüfe" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molekülladung:" #~ msgid "Run Type:" #~ msgstr "Lauftyp:" #~ msgid "Use MP2" #~ msgstr "MP2 benutzen" #~ msgid "Use DFT" #~ msgstr "DFT benutzen" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# der Z-Matrix Variablen" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Reihenfolge der Hauptachsen:" #~ msgid "Coordinate Type:" #~ msgstr "Koordinatentyp:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Eindeutige Kartesische Koordinaten" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant-Interna" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Verwende Symmetrie während der Berechnung" #~ msgid "Point Group:" #~ msgstr "Punktgruppe:" #~ msgid "Minutes" #~ msgstr "Minuten" #~ msgid "Hours" #~ msgstr "Stunden" #~ msgid "Days" #~ msgstr "Tage" #~ msgid "Weeks" #~ msgstr "Wochen" #~ msgid "Years" #~ msgstr "Jahre" #~ msgid "Millenia" #~ msgstr "Jahrtausende" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWörter" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Parallele Methoden erzwingen" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "\"Kern\"datei nach dem Abbruch erstellen" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Speicher:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisierungsmethode:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Paralleler Auslastungsverteilungstyp" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Schleife" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Nächster Wert" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Benutze externe Datendarstellung für Mitteilungen" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO gelesen ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO gespeichert (DICTNRY)" #~ msgid "Skip" #~ msgstr "Überspringen" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Alpha- und Beta-Orbitale rotieren" #~ msgid "Print the Initial Guess" #~ msgstr "Erste Schätzung anzeigen" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS-Schnittstelle zu anderen Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Erzwinge einen Test des Ausführungsablaufs" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK-Version)" #~ msgid "Solvate with Water" #~ msgstr "In Wasser lösen" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Erzeuge natürliche UHF-Orbitale" #~ msgid "Direct SCF" #~ msgstr "Direktes SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Berechne nur Änderung in der Fock-Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater-Austausch" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke-1988-Austausch" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair-Korrelation (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr-Korrelation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater-Austausch + VWN-Korrelation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE-Austausch + VWN5-Korrelation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE-Austausch + LYP-Korrelation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill-1996-Austausch" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof-Austausch (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Ein-Parameter progressive Korrelation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr-Korrelation (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP-Korrelation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE-Austausch + OP-Korrelation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL-Austausch + VWN5-Korrelation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL-Austausch + LYP-Korrelation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE-Austausch + VWN6-Korrelation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE-Austausch + LYP-Korrelation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE-Austausch + OP-Korrelation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF- und BECKE-Austausch + LYP-Korrelation" #~ msgid "Grid-Free" #~ msgstr "Rasterfrei" #~ msgid "DFT Functional:" #~ msgstr "DFT-Funktion:" #~ msgid "AO Integral Storage" #~ msgstr "AO-Integralspeicher" #~ msgid "Duplicated on Each Node" #~ msgstr "Dupliziert auf jedem Knoten" #~ msgid "Distributed Across All Nodes" #~ msgstr "Auf alle Knoten verteilt" #~ msgid "words" #~ msgstr "Worte" #~ msgid "Compute MP2 Properties" #~ msgstr "Berechne MP2-Eigenschaften" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral-Rückhaltungs-Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Lokalisierte Orbitale benutzen" #~ msgid "# of Core Electrons:" #~ msgstr "Anzahl der Kern-Elektronen" #~ msgid "Transformation Method" #~ msgstr "Transformationsmethode" #~ msgid "Two Phase Bin Sort" #~ msgstr "Zweistufiges Binary Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmentierte Umwandlung" #~ msgid "Numeric" #~ msgstr "Numerisch" #~ msgid "Double Differenced Hessian" #~ msgstr "Doppelt differenzierte Hessematrix" #~ msgid "Print Internal Force Constants" #~ msgstr "Interne Kraftkonstanten ausgeben" #~ msgid "Displacement Size:" #~ msgstr "Verschiebungsgrösse:" #~ msgid "Purify Hessian" #~ msgstr "Bereinige Hessematrix" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequenzskalierungsfaktor:" #~ msgid "bohrs" #~ msgstr "Bohr" #~ msgid "Initial Hessian" #~ msgstr "Ursprüngliche Hessematrix" #~ msgid "Guess (+ define)" #~ msgstr "Rate (+ definiere)" #~ msgid "Read (from $HESS)" #~ msgstr "Lese (aus $HESS)" #~ msgid "Update Step Size" #~ msgstr "Erneuere Schrittgrösse" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Orbitale bei jeder Iteration anzeigen" #~ msgid "Jump Size:" #~ msgstr "Sprunggrösse:" #~ msgid "Stationary Point" #~ msgstr "Fixpunkt" #~ msgid "Initial:" #~ msgstr "Anfang:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rationale Funktionsoptimierung" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratische Annährung" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Eingeschränkte Optimierung" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Berechne Hessematrix neu alle:" #~ msgid "Follow Mode:" #~ msgstr "Folge-Modus:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK-Eingabe" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Von Avogadro generierte GAMESS-UK-Eingabe" #~ msgid "Transition State Search" #~ msgstr "Übergangsstatussuche" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-Matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Im direkten Modus werden Integrale nicht gespeichert, sondern bei Bedarf " #~ "neuberechnet.\n" #~ "Bei modernen Systemen mit schnellen Prozessoren und langsamen Festplatten " #~ "ist das meist schneller." #~ msgid "Run in direct mode:" #~ msgstr "Im direkten Modus starten:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Eingabe" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Kontrollpunkt:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-Matrix (kompakt)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Eingabe" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro-Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC-Eingabe" #~ msgid "Quartet" #~ msgstr "Quartett" #~ msgid "Quintet" #~ msgstr "Quintett" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Eingabe" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem-Eingabe" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem-Eingabe" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unbegrenzt" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "Nein" #~ msgid "yes" #~ msgstr "Ja" #~ msgid "Dispersion:" #~ msgstr "Streuung:" #~ msgid "Load Shaders" #~ msgstr "Lade Shader" #~ msgid "Shader Name:" #~ msgstr "Shader-Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex-Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment-Shader:" #~ msgid "Assign Shader" #~ msgstr "Weise Shader zu" #~ msgid "Display Type:" #~ msgstr "Anzeigetyp:" #~ msgid "Font:" #~ msgstr "Zeichensatz" #~ msgid "Change Font..." #~ msgstr "Schrift ändern …" #~ msgid "New..." #~ msgstr "Neu …" #~ msgid "Rename..." #~ msgstr "Umbenennen …" #~ msgid "&Schemes:" #~ msgstr "Schemata:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Breite:" #~ msgid "&Height" #~ msgstr "&Höhe" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "Einen optimierte Schriftgröße statt der vorgegebenen benutzen." #~ msgid "Auto-adjust F&ont Size" #~ msgstr "&Zeichensatzgröße automatisch einstellen" #~ msgid "Spectra Tab" #~ msgstr "Spektraltabelle" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussche Breite" #~ msgid "&Label peaks" #~ msgstr "&Spitzen des Graphen" #~ msgid "Rotatory Strength type:" #~ msgstr "Art der Rotationsstärke:" #~ msgid "Energy units:" #~ msgstr "Energieeinheiten:" #~ msgid "Density units" #~ msgstr "Dichteeinheiten" #~ msgid "Fermi Energy: " #~ msgstr "Fermi-Energie " #~ msgid "States / Cell" #~ msgstr "Zustand / Zelle" #~ msgid "States / Atom" #~ msgstr "Zustand / Atom" #~ msgid "States / Valence electron" #~ msgstr "Zustand / Valenzelektron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermie-Energie am Nullpunkt" #~ msgid "Scale integrated DOS" #~ msgstr "Integrierte DOS skalieren" #~ msgid "Show integrated DOS" #~ msgstr "Integrierte DOS anzeigen" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Achsen Einheiten:" #~ msgid "Scaling Type:" #~ msgstr "Skalierungstyp:" #~ msgid "Relative" #~ msgstr "Relativ" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser-Wellenzahl:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nukleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussche &Breite:" #~ msgid "Reset &Plot Axes" #~ msgstr "Zurücksetzten &Achsen neu zeichnen" #~ msgid "Label Peaks:" #~ msgstr "Spitzen des Graphen" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molukulare Vibrationen" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Aktivität (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Spektren &anzeigen …" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "Höhere Frequenz-Vibrationen zeigt schnellere Bewegung" #~ msgid "Animation speed set by frequency" #~ msgstr "Animationsgeschwindigkeit gesetzt durch Frequenz" #~ msgid "Display force &vectors" #~ msgstr "Kraftvektoren anzeigen" #~ msgid "&Normalize displacements" #~ msgstr "Ablösungen &Normalisieren" #~ msgid "&Recalculate All" #~ msgstr "Alle &neuberechnen" #~ msgid "Default &Quality:" #~ msgstr "Vorgabe&qualität:" #~ msgid "Show occupied orbitals first" #~ msgstr "Zeige besetzte Orbitale zuerst" #~ msgid "Limit orbital precalculations to " #~ msgstr "Orbitale Vorberechnungen begrenzen auf " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "Orbitale um HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Oberflächen Typ:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Niedrig" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mittel" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Hoch" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Sehr Hoch" #~ msgid "Isosurface cutoff value" #~ msgstr "Isooberflächen Wert für die Abschaltung" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "in Anzeige Typ" #~ msgid "New Display" #~ msgstr "Neue Anzeige" #~ msgid "Advanced..." #~ msgstr "Erweitert …" #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Länge:" #~ msgid "Uni&t:" #~ msgstr "Einhe&t:" #~ msgid "periodic units" #~ msgstr "periodische Einheiten" #~ msgid "angstrom" #~ msgstr "Ångström" #~ msgid "bohr radii" #~ msgstr "Bohrsche Radien" #~ msgid "nanometers" #~ msgstr "Nanometer" #~ msgid "&Cap with hydrogen" #~ msgstr "Mit Wasserstoffatom abs&chließen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Dies könnte eine Weile dauern. Falls nur die Atomkoordinaten\n" #~ "benötigt werden (z.B. für eine quantenmechanische\n" #~ "Berechnung), sollte eine Repräsentation ausschließlich mit\n" #~ "Einzelbindungen genügen." #~ msgid "Find &double bonds" #~ msgstr "&Doppelbindungen finden" #~ msgid "Display visual cues" #~ msgstr "Sichtmerkmale anzeigen" #~ msgid "Python Settings" #~ msgstr "Python-Einstellungen" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" OpenChemistry-avogadrolibs-ceb949f/i18n/el.po000066400000000000000000014277121516317240700212270ustar00rootroot00000000000000# Greek translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Dimitris Spingos (Δημήτρης Σπίγγος) , 2014. # Michalis , 2021. # Eisuke Kawashima , 2024, 2025, 2026. # LibreTranslate , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Greek \n" "Language: el\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Γεννήτρια εισόδου" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Συνέχεια" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Κλείσιμο" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Άγνωστο" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Υδρογόνο" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Ήλιο" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Λίθιο" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Βηρύλλιο" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Βόριο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Άνθρακας" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Άζωτο" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Οξυγόνο" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Φθόριο" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Νέον" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Νάτριο" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Μαγνήσιο" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Αργίλιο" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Πυρίτιο" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Φώσφορος" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Θείο" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Χλώριο" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Αργό" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Κάλιο" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Ασβέστιο" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Σκάνδιο" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Τιτάνιο" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Βανάδιο" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Χρώμιο" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Μαγγάνιο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Σίδηρος" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Κοβάλτιο" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Νικέλιο" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Χαλκός" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Ψευδάργυρος" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Γάλλιο" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Γερμάνιο" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Αρσενικό" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Σελήνιο" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Βρώμιο" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Κρυπτό" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Ρουβίδιο" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Στρόντιο" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ύττριο" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Ζιρκόνιο" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Νιόβιο" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Μολυβδαίνιο" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Τεχνήτιο" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ρουθήνιο" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Ρόδιο" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Παλλάδιο" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Άργυρος" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Κάδμιο" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Ίνδιο" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Κασσίτερος" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Αντιμόνιο" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Τελλούριο" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Ιώδιο" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ξένον" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Καίσιο" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Βάριο" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Λανθάνιο" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Δημήτριο" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Πρασεοδύμιο" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Νεοδύμιο" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Προμήθειο" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Σαμάριο" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Ευρώπιο" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Γαδολίνιο" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Τέρβιο" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Δυσπρόσιο" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Όλμιο" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Έρβιο" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Θούλιο" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Υττέρβιο" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Λουτήτιο" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Άφνιο" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Ταντάλιο" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Βολφράμιο" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Ρήνιο" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Όσμιο" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Ιρίδιο" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Λευκόχρυσος" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Χρυσός" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Υδράργυρος" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Θάλλιο" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Μόλυβδος" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Βισμούθιο" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Πολώνιο" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Αστάτιο" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Ραδόνιο" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Φράγκιο" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Ράδιο" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Ακτίνιο" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Θόριο" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Πρωτακτίνιο" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Ουράνιο" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Ποσειδώνιο" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Πλουτώνιο" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Αμερίκιο" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Κιούριο" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Μπερκέλιο" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Καλιφόρνιο" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Αϊνσταΐνιο" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Φέρμιο" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Μεντελέβιο" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Νομπέλιο" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Λωρένσιο" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Ραδερφόρντιο" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Δούβνιο" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Σιμπόργκιο" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Μπόριο" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Χάσιο" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Μαϊτνέριο" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Δαρμστάτιο" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Ρεντγκένιο" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Κοπερνίκιο" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Νιχόνιο" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Φλερόβιο" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Μοσκόβιο" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Λιβερμόριο" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Τενέσιο" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Ογκανέσσιο" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Περιήγηση" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Όλα τα Αρχεία" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Τίτλος" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Θεωρία" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Βάση" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "Δεν έχει οριστεί μόριο" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Σφαίρα και ράβδος" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Καρτούν" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Δύναμη" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Ετικέτα" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Επιφάνειες" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Βαν ντερ Βάαλς" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Βαν ντερ Βάαλς" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Απλός σκελετός" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "χωρίς τίτλο" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Περιοδικός Πίνακας" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Προσθήκη ατόμου" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Αφαίρεση ατόμου" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Προσαρμογή υδρογόνων" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Τροποποίηση στοιχείου" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Τροποποίηση στοιχείου" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Προσθήκη δεσμού" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Διαγραφή δεσμού" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Τροποποίηση σειράς δεσμών" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Αφαίρεση μοναδιαίας κυψελίδας" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Αναδίπλωση ατόμων στο κελί" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Κλιμάκωση όγκου μοναδιαίας κυψελίδας" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Περιστροφή σε πρότυπο προσανατολισμό" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Αναγωγή σε κύρια κυψελίδα" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 #, fuzzy msgid "Symmetrize Cell" msgstr "Να γίνει συμμετρικός ο κρύσταλλος" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Γέμισμα μοναδιαίας κυψελίδας" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Αναγωγή σε ασύμμετρη μονάδα" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Ρυθμίσεις" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Αρχείο" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Εξαγωγή" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Κατασκευή" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Στοιχείο:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Στοίχιση" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Στοίχιση μορίων\n" "\n" "Αριστερό πλήκτρο: Επιλέξτε μέχρι δύο άτομα.\n" "\tΤο πρώτο άτομο κεντράρεται στο αρχικό.\n" "\tΤο δεύτερο άτομο στοιχίζεται στον επιλεγμένο άξονα.\n" "Δεξιό πλήκτρο: Επαναφορά στοίχισης.\n" "Διπλό πάτημα: Κεντράρισμα του ατόμου στο αρχικό." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Άξονας:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Στοίχιση μορίων σε έναν καρτεσιανό άξονα" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Άνοιγμα αρχείου…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Σφάλμα" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Σφάλμα" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Επιτυχία" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, fuzzy, qt-format msgid "Cannot save file %1." msgstr "Μη δυνατή αποθήκευση του αρχείου %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Προσαρμοσμένο χρώμα…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Με το στοιχείο" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Με Μερικό φορτίου…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "δευτεροταγούς δομής" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Αμινοξέα" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Φάσματα" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "Π&ροβολή" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Χρώμα υπόλοιπο" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Βελτιστοποίηση" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Μέθοδος:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Θερμοκρασία" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Εκκίνηση" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Διακοπή" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Βελτιστοποίηση Γεωμετρίας" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Μοριακή δυναμική" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Εμφάνιση πολλαπλών δεσμών" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Δεσμοκεντρικός χειρισμός" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Εργαλείο χειρισμού κεντρικού δεσμού\t(%1)\n" "\n" "Αριστερό πλήκτρο:\tΠάτημα και σύρσιμο για περιστροφή της προβολής.\n" "Μεσαίο πλήκτρο:\tΠάτημα και σύρσιμο για μεγέθυνση ή σμίκρυνση.\n" "Δεξιό πλήκτρο:\tΠάτημα και σύρσιμο για μετακίνηση της προβολής.\n" "Διπλό πάτημα:\tΕπαναφορά της προβολής.\n" "\n" "Αριστερό πάτημα & σύρσιμο ενός δεσμού για ορισμό του επιπέδου χειρισμού\n" "Αριστερό πάτημα & σύρσιμο ενός ατόμου στον δεσμό για αλλαγή γωνίας\n" "Δεξί πάτημα & σύρσιμο ενός ατόμου στον δεσμό για αλλαγή μήκους" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Δεσμοκεντρικός χειρισμός" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Να κατανοηθούν οι δεσμοί" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Δεσμός" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Να κατανοηθούν οι δεσμοί." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Σκελετός" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ταινία" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Καρτούν" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Προσθήκη κέντρου μάζας" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Επεκτάσεις" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Σενάρια" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Άλλο…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Υπολογισμός" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Γωνία" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Τύπος" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Άτομο 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Άτομο 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Άτομο 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Άτομο 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Όνομα στοιχείου." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Σύμβολο στοιχείου." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Δείκτες ατόμου" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Ατομικός αριθμός." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Προσαρμοσμένο" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Είσοδος Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Αντιγραφή" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Διαγραφή" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Ενέργεια" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Γεωμετρική βελτιστοποίηση" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Μοριακή μηχανική" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "ΚΑΝΕΝΑ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Συζυγείς βαθμίδες" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Μέγιστη κάθοδος" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Εισαγωγή κρυστάλλου από το πρόχειρο…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Προσθήκη μοναδιαίας κυψελίδας…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Ανα&δίπλωση ατόμων στο κελί" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Περιστροφή σε πρότυπο προσανατολισμό" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Κλιμάκωση κυψελίδας στον ό&γκο…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Αναγωγή κελιού (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Κρύσταλλος" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Αφαίρεση &μοναδιαίας κυψελίδας" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Προσθήκη &μοναδιαίας κυψελίδας" #: qtplugins/crystal/crystal.cpp:169 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Εισαγωγή κρυστάλλου από το πρόχειρο" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Διατήρηση των ατόμων στην μοναδιαία κυψελίδα" #: qtplugins/crystal/crystal.cpp:178 #, fuzzy msgid "Rotate the unit cell to the standard orientation." msgstr "Περιστροφή σε πρότυπο προσανατολισμό" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 #, fuzzy msgid "The unit cell is already reduced." msgstr "Αυτή η μοναδιαία κυψελίδα έχει ήδη αναχθεί." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Κρύσταλλος" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Αδύνατη η ανάλυση του κειμένου" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Ροπή διπόλου" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Σχεδίαση" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Εργαλείο σχεδίασης\t(%1)\n" "\n" "Αριστερό πλήκτρο: Πάτημα και μετακίνηση για τη δημιουργία ατόμων και δεσμών\n" "Δεξί πλήκτρο: Διαγραφή ατόμου" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Σχεδίαση ατόμου" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Απόσταση:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Απλή" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Διπλός" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Τριπλός" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "Εισαγωγή" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Λήψη από PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Χημική δομή για μεταφόρτωση." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Αποσύνδεση δικτύου η αλλο σφάλμα." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Το συγκεκριμένο μόριο δεν μπόρεσε να βρεθεί: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Λήψη από PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Ενέργεια = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Βελτιστοποίηση δυναμικού πεδίου" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Είσοδος GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Ενέργεια μονού σημείου" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Γεωμετρία ισορροπίας" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Κατάσταση μετάπτωσης" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Συχνότητες" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Δημιουργία EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Δυναμικό πυρήνα" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Κανένα" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Αέριο" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Νερό" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Απλή" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Διπλή" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Τριπλή" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Δικατιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Κατιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Ουδέτερο" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Ανιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Διανιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Προσαρμογή υδρογόνων" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Προσθήκη υδρογόνων" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Αφαίρεση Υδρογόνων" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Υδρογόνα" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Υδρογόνα" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Εισαγωγή" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Εισαγωγή DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Ουρακίλη" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Θυμίνη" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Εισαγωγή Μόριο…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Εισαγωγή DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Μόριο…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Κρύσταλλος…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Εισαγωγή κρυστάλλου" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Εισαγωγή τμήματος" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Εισαγωγή τμήματος" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Εισαγωγή μοριακών τμημάτων για κατασκευή μεγαλύτερων μορίων." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Χρώμα:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Απόσταση από το κέντρο:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Μοναδικό αναγνωριστικό" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Στοιχείο" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Ετικέτες ατόμου:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 #, fuzzy msgid "ID" msgstr "ΚΑ" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Lammps;" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Αδιαφάνεια:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Χωρίς περιγραφή" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Χειρισμός" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Εργαλείο χειρισμού\t(%1)\n" "\n" "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση ατόμων\n" "Δεξί πλήκτρο: Πάτημα και σύρσιμο για την περιστροφή των επιλεγμένων ατόμων." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Μέτρηση" #: qtplugins/measuretool/measuretool.cpp:54 #, fuzzy, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Πάτημα για μέτρηση\t(%1)\n" "\n" "Αριστερό πλήκτρο: Επιλέξτε μέχρι τρία άτομα.\n" "\tΟι αποστάσεις μετριούνται μεταξύ 1-2 και 2-3\n" "\tΗ γωνία μετριέται μεταξύ 1-3 χρησιμοποιώντας το 2 ως το κοινό σημείο\n" "Δεξιό πλήκτρο: Επαναφορά των μετρήσεων. Διπλό πάτημα: Επαναφορά της προβολής." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Δίεδρη:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Γωνία:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "Μοριακό…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Ιδιότητες" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Μοριακές ιδιότητες" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Ιδιότητες μορίου" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Εξαγωγή CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Αρχεία CSV (*.csv);;Όλα τα αρχεία (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Αδύνατο το άνοιγμα του αρχείου για εγγραφή." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Εξαγωγή…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Περιήγηση" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Εργαλείο περιήγησης\t(%1)\n" "\n" "Αριστερό πλήκτρο:\tΠάτημα και σύρσιμο για την περιστροφή προβολής.\n" "Μεσαίο πλήκτρο:\tΠάτημα και σύρσιμο για μεγέθυνση ή σμίκρυνση.\n" "Δεξί πλήκτρο:\tΠάτημα και σύρσιμο για τη μετακίνηση της προβολής." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Χημικό όνομα" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Ρύθμιση Δυναμικού πεδίου…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Αναζήτηση διαμορφομερούς…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Να κατανοηθούν οι δεσμοί" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Προσθήκη υδρογόνων για pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Αφαίρεση Υδρογόνων" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Βελτιστοποίηση Γεωμετρίας (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Ο αριθμός των ατόμων στο παρών μόριο δεν είναι ίδιος με αυτόν του αρχείου " "τροχιάς %1" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Προσθήκη υδρογόνων (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Προσθήκη υδρογόνων για pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Αφαίρεση Υδρογόνων (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου OpenMM;" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Κατάσταση" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Γεννήτρια εισόδου" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Δυναμικοί δεσμοί;" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Παύση" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "αρχεία video (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Αποθήκευση αρχείου" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Σθένος" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Τυπικό φορτίο" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Χρώμα" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Άτομο" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Έναρξη ατόμου" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Τέλος ατόμου" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Σειρά δεσμού" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Μήκος (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Δομή" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Κορυφή" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Γωνία (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 έλικα" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Ιδιότητες ατόμου…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Ιδιότητες δεσμού…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Ιδιότητες γωνίας…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Ιδιότητες στρέψης…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Παράθυρα για εμφάνιση ατόμου, δεσμού, γωνίας και ιδιοτήτων στρέψης." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Ιδιότητες" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Ιδιότητες ατόμου" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Ιδιότητες δεσμού" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Ιδιότητες γωνίας" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Ιδιότητες στρέψης" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Ιδιότητες διαμορφομερούς" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Αποδίδει τα κύρια τμήματα χρησιμοποιώντας ιδιότητες QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Μοριακό γράφημα…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Μοριακό γράφημα με μονήρη ζεύγη…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Ατομικό φορτίο…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Άνοιγμα αρχείου WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Αρχεία WFN (*.wfn);;Όλα τα αρχεία (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Επέκταση QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Επιλογή κατά στοιχείο…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Επιλογή κατά υπόλοιπο…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Επιλογή" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Επιλέξτε στοιχείο" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Επιλογή υπόλοιπο" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Επιλογή" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Επιλογή" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Εργαλείο επιλογής\t(%1)\n" "\n" "Αριστερό πλήκτρο: Πάτημα για επιλογή μεμονωμένων ατόμων, υπολοίπων ή " "τμημάτων\n" "\tΣύρτε για να επιλέξετε μια περιοχή ατόμων\n" "Δεξιό πλήκτρο: Πάτημα έξω από το μόριο για καθαρισμό της επιλογής\n" "Χρησιμοποιήστε Ctrl για εναλλαγή της επιλογής και Shift για προσθήκη στην " "επιλογή.\n" "Διπλό πάτημα: Επιλογή ενός ολόκληρου τμήματος." #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Έναρξη ατόμου" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 #, fuzzy msgid "Selection tool" msgstr "Εργαλείο επιλογής" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Κατανόηση ομάδας χώρου…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Αναγωγή σε ασύμμετρη μονάδα" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Γέμισμα μοναδιαίας κυψελίδας…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Ομάδαχώρου" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Η κατανόηση της ομάδας χώρου απέτυχε.\n" "\n" "Θα θέλατε να ξαναδοκιμάσετε με διαφορετική ανοχή;" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Διεθνές" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Επιλογή ομάδας χώρου" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Ομάδαχώρου" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Φάσματα" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Υπέρυθρο" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Ράμαν" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "Ηλεκτρόνιο" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Πυκνότητα καταστάσεων" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Επιλογή χρώματος παρασκηνίου" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Επιλογή χρώματος προσκηνίου" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Επιλογή υπολογιζόμενου χρώματος φασμάτων" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Επιλογή εισαγόμενου χρώματος φασμάτων" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Κυματαριθμός (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Ράμαν φασμάτων" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Εντάσεις" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Μετατόπιση (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Ενέργεια (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Τεχνοτροπία:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Τροχιακό" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Συμμετρία" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Μοριακό τροχιακό" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Ηλεκτρονική πυκνότητα" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Μοριακό τροχιακό %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Δημιουργία επιφανειών…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Υπολογίζεται η ηλεκτρονική πυκνότητα" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Συμμετρία…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Ομάδας %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Έναρξη κίνησης" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Διακοπή κίνησης" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Δόνηση" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Το %1 απέτυχε να ξεκινήσει" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Διάλογος" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Φόρμα" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Εισαγωγή τμήματος…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Φίλτρο:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Πληκτρολογήστε ένα όνομα ή μέρος ενός ονόματος για να εμφανίσετε μόνο τα " "σύμφωνα αρχεία." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Εισαγωγή" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Δυναμικό πεδίο:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Επιτυχία!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) #, fuzzy msgid "Load Structure File" msgstr "Δομή" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "Φόρτωση αρχείου" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Μερικό φορτίου" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Προσθήκη περιορισμών" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Τύπος:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Προσθήκη" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Εντάξει" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Μπορ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Μορφή:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Εκαθάριση" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Εφαρμογή" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Επαναφορά όλων" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Προεπιλεγμένα" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Αποθήκευση αρχείου…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Βασικές ρυθμίσεις" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Τίτλος:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Υπολογισμός:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Επιλογές υπερκυψελίδας" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Επανάληψη Α:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Επανάληψη Β:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Επανάληψη C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Εφαρμογή" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "Απόκρυ&ψη" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Κλιμάκωση όγκου μοναδιαίας κυψελίδας" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Ετικέτες κειμένου" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Σειρά δεσμού:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Είσοδος GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Σε:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Πολλαπλότητα:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Με:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Φορτίο:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "όνομα" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Εισαγωγή νουκλεϊκών οξέων" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Κατασκευαστής DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Νουκλεϊκά οξέα:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Αδενίνη" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "Α" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Κυτοσίνη" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Γουανίνη" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Αλληλουχία:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "ο αριθμός των ζευγών βάσης ανά στροφή έλικα" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "Α" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Ζ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Άλλο" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Βάσεις ανά στροφή:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Κλώνοι:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Απλή" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Διπλός" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Αλανίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Αργινίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Ασπαραγίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Ασπαρτικό Οξύ" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Κυστεΐνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Γλουταμικό Οξύ" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Γλουταμίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Γλυκίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Ιστιδίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Ισολευκίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Βαλίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Τυροσίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Τρυπτοφάνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Θρεονίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Σερίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Προλίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Φαινυλαλανίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Μεθειονίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Λυσίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Λευκίνη" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Αλληλουχία (Ν προς C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Στερεοχημεία:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Τέλος Ν:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Τέλος C:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Ευθεία αλυσίδα" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Αριθμός αλυσίδας:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Ο αριθμός αλυσίδας για το νέο πεπτίδιο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Επιλέξτε την τεχνοτροπία μονάδας που θα χρησιμοποιηθεί κατά τη διάρκεια της " "προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "πραγματικές" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "μέταλλο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "Ηλεκτρόνιο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Δυναμικό νερού" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" "Επιλογή της χρησιμοποιούμενης τεχνοτροπίας_ατόμου από το αρχείο δεδομένων." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Τεχνοτροπία ατόμου" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "γωνία" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "ατομικό" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "δεσμός" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "φορτίο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "δίπολο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ελλειψοειδής" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "πλήρης" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "γραμμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "μεσοϊσομερές" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "μοριακό" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "περί" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "σφαίρα" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "τρι" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "Κυματοπακέτο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Ορίστε το όνομα που θα χρησιμοποιηθεί για το αρχείο συντεταγμένων" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Αρχείο δεδομένων συντεταγμένων" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Σύνολο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Θερμοκρασία" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Επιλογή του αριθμού των αλυσίδων Nosé-Hoover στο σύνολο NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Αλυσίδες NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Βήμα χρόνου για την προσομοίωση σε μονάδες σύμφωνα με την προδιαγραφή " "\"Μονάδες\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Βήμα χρόνου" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" "Όνομα αρχείου του αρχείου XYZ για εγγραφή κατά τη διάρκεια της προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Αποτύπωση XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Αριθμός διαστάσεων στο σύστημα." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Διαστάσεις" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Αλλαγή της τεχνοτροπίας ορίου Ζ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Αλλαγή της τεχνοτροπίας ορίου Υ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Αλλαγή της τεχνοτροπίας ορίου Χ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Επιλογή τεχνοτροπιών ορίου στις κατευθύνσεις Χ, Υ και Ζ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Όριο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Αριθμός αντιγράφων στις κατευθύνσεις Χ, Υ και Ζ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Αντιγραφή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Αντιγραφή της κατεύθυνσης Χ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Αντιγραφή της κατεύθυνσης Υ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Αντιγραφή της κατεύθυνσης Ζ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Συνολικός αριθμός βημάτων χρόνου για εκτέλεση της προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Συνολικά βήματα" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Αποτύπωση διαστήματος" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Ορισμός των αρχικών ταχυτήτων ατόμου για την προσομοίωση." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Αρχικές ταχύτητες" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Επιλογή της κατανομής των αρχικών ταχυτήτων ατόμου." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "Γκάους" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "ομοιόμορφο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Ορισμός των αρχικών ταχυτήτων ατόμου για να ταιριάζει αυτήν τη θερμοκρασία." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Αφαίρεση της γραμμικής ορμής συστήματος από τις αρχικές ταχύτητες." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Μηδενική γραμμική ορμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Αφαίρεση της γωνιακής ορμής συστήματος από τις αρχικές ταχύτητες." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Μηδενική γωνιακή ορμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Να ελέγχεται η θερμοδυναμική έξοδος κατά τη διάρκεια της προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Διάστημα εξόδου" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Τεχνοτροπία θερμοδυναμικής εξόδου." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Μία γραμμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Πολλαπλές γραμμές" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Χρήση μορφής" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "Χ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Υ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Μετατόπιση κατά:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Περιστροφή γύρω από:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Αρχικό" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Άξονας Χ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Άξονας Υ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Άξονας Ζ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Αναζήτηση διαμορφομερούς" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Μέθοδος" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Αριθμός διαμορφομερών:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Συστηματική αναζήτηση ρότορα" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Τυχαία αναζήτηση ρότορα" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Σταθμισμένη αναζήτηση ρότορα" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Γενετική αναζήτηση αλγορίθμου" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Γενετικές επιλογές αλγορίθμου" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Θυγατρικά:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Αστάθεια:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy msgid "Scoring method:" msgstr "Μέθοδος βαθμολόγησης:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Μέγιστη κάθοδος" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Δυναμικό πεδίο:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Αναφορά" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Απλή" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Διπλός" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Περιορισμοί:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Συνολική ενέργεια" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Μήκος κύματος:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Κρίσιμη ακτίνα σημείου:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Ακτίνα διαδρομής δεσμού:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Ομοιοπολικός" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Σταθερό μέγεθος" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Συντελεστής κλίμακας:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Πλάτος:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy msgid "Peak Threshold:" msgstr "Κατώφλι:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Εμφ&άνιση" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Εισαγμένα φάσματα:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Εμφάνιση" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Εισάγει ένα tsv των πειραματικών φασμάτων που επικάθονται στο σχέδιο." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Φόντο:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "υπολογιζόμενου φάσματος:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Εξαγωγή δεδομένων" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Κλείσιμο" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Στοιχεία ελέγχου:\n" "Διπλό αριστερό πάτημα: Επαναφορά προεπιλεγμένων ορίων άξονα\n" "Δεξιό πάτημα + σύρσιμο: μετακίνηση σχεδίου\n" "Μεσαίο πάτημα + σύρσιμο: Εστίαση στην περιοχή\n" "Τροχός κύλισης: Εστίαση στον δρομέα" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Ποιότητα: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Χαμηλή" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Μεσαία" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Υψηλή" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Πολύ υψηλή" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Δημιουργία επιφανειών" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Χρώμα κατά:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Ηλεκτροστατικό δυναμικό" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Ανάλυση:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Τιμή ισοεπιφάνειας:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Φωτεινό" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Υπολογισμός" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Μόριο" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Τυπικό φορτίο:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Γραμμικός" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Γραμμικός" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "από το πρόχειρο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Ομάδες" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Ομάδα:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Εύρος:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Anastasios Bourazanis,Eleftherios " "Kosmas,farkoius, ,Launchpad Contributions:,Aggelos Arnaoutis,Anastasios " "Bourazanis,Dimitris Spingos,Eleftherios Kosmas,farkoius,tzem, ,Launchpad " "Contributions:,Aggelos Arnaoutis,Anastasios Bourazanis,Dimitris " "Spingos,Eleftherios Kosmas,farkoius,tzem, ,Launchpad Contributions:,Aggelos " "Arnaoutis,Anastasios Bourazanis,Dimitris Spingos,Eleftherios " "Kosmas,farkoius,tzem" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,a.brzns@gmail.com,elkosmas@gmail.com,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,angelosarn@hotmail.com,a.brzns@gmail.com,,elkosmas@gmail.com,,athmakrigiannis@gmail.com,,,angelosarn@hotmail.com,a.brzns@gmail.com,,elkosmas@gmail.com,,athmakrigiannis@gmail.com,,,angelosarn@hotmail.com,a.brzns@gmail.com,,elkosmas@gmail.com,,athmakrigiannis@gmail.com" #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Γωνία:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Άκυρο" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(εκκρεμεί)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Παράθυρα για εμφάνιση ατόμου, δεσμού, γωνίας και ιδιοτήτων στρέψης." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Στοίχιση μορίων\n" #~ "\n" #~ "Αριστερό πλήκτρο: Επιλέξτε μέχρι δύο άτομα.\n" #~ " Το πρώτο άτομο κεντράρεται στο αρχικό.\n" #~ " Το δεύτερο άτομο στοιχίζεται στον επιλεγμένο άξονα.\n" #~ "Δεξιό πλήκτρο: Επαναφορά στοίχισης.\n" #~ "Διπλό πάτημα: Κεντράρισμα του ατόμου στο αρχικό." #, fuzzy #~ msgid "&Analysis" #~ msgstr "Αναλυτική" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Εισαγωγή..." #~ msgid "Set Color..." #~ msgstr "Καθορισμός χρώματος..." #~ msgid "&Export..." #~ msgstr "Ε&ξαγωγή..." #~ msgid "&Load data..." #~ msgstr "&Φόρτωση δεδομένων..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Μερικό φορτίου" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Εργαλείο χειρισμού κεντρικού δεσμού\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για περιστροφή της προβολής.\n" #~ "Μεσαίο πλήκτρο: Πάτημα και σύρσιμο για μεγέθυνση ή σμίκρυνση.\n" #~ "Δεξιό πλήκτρο: Πάτημα και σύρσιμο για μετακίνηση της προβολής.\n" #~ "Διπλό πάτημα: Επαναφορά της προβολής.\n" #~ "\n" #~ "Αριστερό πάτημα & σύρσιμο ενός δεσμού για ορισμό του επιπέδου χειρισμού:\n" #~ "Αριστερό πάτημα & σύρσιμο ενός ατόμου στον δεσμό για αλλαγή γωνίας\n" #~ "Δεξί πάτημα & σύρσιμο ενός ατόμου στον δεσμό για αλλαγή μήκους" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Εργαλείο σχεδίασης (F8)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και μετακίνηση για τη δημιουργία ατόμων και " #~ "δεσμών\n" #~ "Δεξί πλήκτρο: Διαγραφή ατόμου" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Πάτημα για μέτρηση (F12)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Επιλέξτε μέχρι τρία άτομα.\n" #~ " Οι αποστάσεις μετριούνται μεταξύ 1-2 και 2-3\n" #~ " Η γωνία μετριέται μεταξύ 1-3 χρησιμοποιώντας το 2 ως το κοινό σημείο\n" #~ "Δεξιό πλήκτρο: Επαναφορά των μετρήσεων. Διπλό πάτημα: Επαναφορά της " #~ "προβολής." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Εργαλείο περιήγησης (F9)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για την περιστροφή προβολής.\n" #~ "Μεσαίο πλήκτρο: Πάτημα και σύρσιμο για μεγέθυνση ή σμίκρυνση.\n" #~ "Δεξί πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση της προβολής.\n" #~ "Διπλό πάτημα: Επαναφορά της προβολής." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Κινούμενη απεικόνιση" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Εργαλείο επιλογής (F11)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα για επιλογή μεμονωμένων ατόμων, υπολοίπων ή " #~ "τμημάτων\n" #~ " Σύρτε για να επιλέξετε μια περιοχή ατόμων\n" #~ "Δεξιό πλήκτρο: Πάτημα έξω από το μόριο για καθαρισμό της επιλογής\n" #~ "Χρησιμοποιήστε Ctrl για εναλλαγή της επιλογής και Shift για προσθήκη στην " #~ "επιλογή.\n" #~ "Διπλό πάτημα: Επιλογή ενός ολόκληρου τμήματος." #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Εργαλείο χειρισμού (F10)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση ατόμων\n" #~ "Μεσαίο πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση ατόμων σε μεγαλύτερη " #~ "ή μικρότερη εγγύτητα\n" #~ "Δεξί πλήκτρο: Πάτημα και σύρσιμο για την περιστροφή των επιλεγμένων " #~ "ατόμων.\n" #~ "Διπλό πάτημα: Επαναφορά της προβολής." #~ msgid "Geometry" #~ msgstr "Γεωμετρία" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Προσθήκη &μοναδιαίας κυψελίδας" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Δείκτες ατόμου" #, fuzzy #~ msgid "By Distance" #~ msgstr "Απόσταση" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Δείκτες ατόμου" #, fuzzy #~ msgid "&Copy" #~ msgstr "Αντιγραφή Όλων" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Όνομα μορίου κατά IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Μοριακή μάζα (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Χημικός τύπος:" #~ msgid "Number of Atoms:" #~ msgstr "Αριθμός ατόμων:" #~ msgid "Number of Bonds:" #~ msgstr "Αριθμός δεσμών:" #~ msgid "TODO" #~ msgstr "ΠΡΟΣ ΥΛΟΠΟΙΗΣΗ" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Μέγεθος άλματος:" #, fuzzy #~ msgid "In." #~ msgstr "Σε:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Τμήμα..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Συναρτησιακό DFT:" #~ msgid "Other..." #~ msgstr "Άλλο..." #, fuzzy #~ msgid "Filename" #~ msgstr "Όνομα αρχείου:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Δομή" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Περιήγηση" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Περιήγηση" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Όνομα στοιχείου" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Όλα τα αρχεία" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Ρομβοεδρικό" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Μόριο" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Δεν έχει οριστεί μόριο" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Κρύσταλλος..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Προσθήκη υδρογόνων για pH..." #~ msgid "Atom Properties..." #~ msgstr "Ιδιότητες ατόμου..." #~ msgid "Bond Properties..." #~ msgstr "Ιδιότητες δεσμού..." #~ msgid "Angle Properties..." #~ msgstr "Ιδιότητες γωνίας..." #~ msgid "Torsion Properties..." #~ msgstr "Ιδιότητες στρέψης..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Ιδιότητες μορίου..." #~ msgid "Create Surfaces..." #~ msgstr "Δημιουργία επιφανειών..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Συμμετρία" #~ msgid "Insert Fragment..." #~ msgstr "Εισαγωγή τμήματος..." #~ msgid "Theory:" #~ msgstr "Θεωρία:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Απόσταση (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Περιστρέψιμη" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Διαμορφομερές %1\n" #~ "Μήκος %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Διαμορφομερές %1\n" #~ "Γωνία %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Γωνία %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Διαμορφομερές %1\n" #~ "στρέψη %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Στρέψη %1" #~ msgid "Torsion" #~ msgstr "Στρέψη" #~ msgid "Energy (kJ/mol)" #~ msgstr "Ενέργεια (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ναι" #~ msgid "No" #~ msgstr "Όχι" #, fuzzy #~ msgid "Import" #~ msgstr "Εισαγωγή" #~ msgid "Insert SMILES" #~ msgstr "Εισαγωγή SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Εισαγωγή τμήματος SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Εισαγωγή κρυστάλλου" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Εισαγωγή μοριακών τμημάτων για κατασκευή μεγαλύτερων μορίων" #~ msgid "E&xtensions" #~ msgstr "Ε&πεκτάσεις" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Βελτιστοποίηση Γεωμετρίας" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Γεωμετρική βελτιστοποίηση" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Προσθήκη υδρογόνων" #, fuzzy #~ msgid "Stopped" #~ msgstr "Διακοπή" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Επιφάνειες" #~ msgid "Color by Index" #~ msgstr "Χρώμα κατά δείκτη" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Χρώμα κατά δείκτη (κόκκινο, πορτοκαλί, κίτρινο, πράσινο, γαλάζιο, ιώδες)." #~ msgid "Color by Partial Charge" #~ msgstr "Χρώμα ανά μερικό φορτίο" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Χρώμα ανά μερικό φορτίο ατόμου (γαλάζιο = θετικό, κόκκινο = αρνητικό." #~ msgid "Custom Color:" #~ msgstr "Προσαρμοσμένο χρώμα:" #~ msgid "Set custom colors for objects" #~ msgstr "Επιλογή προσαρμοσμένων χρωμάτων για τα αντικείμενα" #~ msgid "Color by Distance" #~ msgstr "Χρώμα κατά απόσταση" #~ msgid "Color by distance from the first atom." #~ msgstr "Χρώμα κατά απόσταση από το πρώτο άτομο" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Χρώμα κατά στοιχείο (άνθρακας = γκρίζο, οξυγόνο = κόκκινο, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Χρώμα κατά υπόλοιπο (είδος αμινοξέος, υδροφοβία,...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Μοτίβο SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Χρώμα επισήμανσης:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Χρώμα κατά μοτίβο SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Επισήμανση ειδικών χαρακτηριστικών που ταιριάζουν με ένα μοτίβο SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ουνούντριο" #~ msgid "Ununpentium" #~ msgstr "Ουνουνπέντιο" #~ msgid "Ununseptium" #~ msgstr "Ουνουνσέπτιο" #~ msgid "Ununoctium" #~ msgstr "Ουνουνόκτιο" #~ msgid "Engines" #~ msgstr "Μηχανές" #~ msgid "Axes" #~ msgstr "Άξονες" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Αποδίδει τους άξονες x, y και z στο αρχικό" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Αποδίδει τα κύρια χρησιμοποιώντας σφαίρες (άτομα) και ράβδους (δεσμοί)" #~ msgid "Dipole" #~ msgstr "Δίπολο" #~ msgid "Hydrogen Bond" #~ msgstr "Δεσμός υδρογόνου" #~ msgid "Renders hydrogen bonds" #~ msgstr "Αποτύπωση δεσμών υδρογόνου" #~ msgid "Select Atom Labels Color" #~ msgstr "Επιλογή χρώματος ετικετών ατόμου" #~ msgid "Select Bond Labels Color" #~ msgstr "Επιλογή χρώματος ετικετών δεσμού" #~ msgid "Select Bond Labels Font" #~ msgstr "Επιλογή γραμματοσειράς ετικετών δεσμού" #~ msgid "Polygon" #~ msgstr "Πολύγωνο" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Αποδίδει άτομα ως τετράεδρα,οκτάεδρα και άλλα πολύγωνα" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Απόδοση πρωτεινικού σκελετου ως ταινίας" #~ msgid "Ring" #~ msgstr "Δακτύλιος" #~ msgid "Renders rings with colored planes" #~ msgstr "Απόδωση δακτυλίων ως έγχρωμων επιπέδων" #~ msgid "Simple Wireframe" #~ msgstr "Απλός σκελετός" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Αποδίδει δεσμούς ως γραμμές,ιδανικό για μεγάλα μόρια" #~ msgid "Van der Waals Spheres" #~ msgstr "Σφαίρες Van der Waals" #~ msgid "Stick" #~ msgstr "Ράβδος" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Ηλεκτρονική πυκνότητα,ισοεπιφάνεια = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, ισοεπιφάνεια = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Αποδίδει τους δεσμούς ως γραμμές,ιδανικό για πολύ μεγάλα (βιο)μόρια" #~ msgid "Trajectory files" #~ msgstr "Αρχεία τροχιάς" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Αρχεία ιστορικού DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Άνοιγμα αρχείου τροχιάς" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Προσθήκη κατάληξης .avi" #~ msgid "Animation..." #~ msgstr "Κινούμενη απεικόνιση" #~ msgid "Cannot read file format of file %1." #~ msgstr "Αδυναμία ανάγνωσης μορφής του αρχείου %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Ανάγνωση αρχείου τροχιάς %1 απέτυχε." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Ορίστε ένα έγκυρο όνομα αρχείου .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "To GL widget δεν αρχικοποιήθηκε σωστά προκειμένου να αποθηκεύσει video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Άκυρο όνομα αρχείου βίντεο. Πρέπει να περιλαμβάνει την πλήρη διαδρομή " #~ "καταλόγου." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Άκυρο όνομα αρχείου βίντεο. Πρέπει να περιλαμβάνει την πλήρη διαδρομή " #~ "καταλόγου και όνομα με κατάληξη .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Αδύνατος ο προσδιορισμός μορφής από το όνομα αρχείου: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Κινούμενη απεικόνιση τροχιών, αντιδράσεων, και δονήσεων." #~ msgid "Cartesian Editor" #~ msgstr "Καρτεσιανός επεξεργαστής" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Δεν ορίστηκε κελί μονάδας για το μόριο -- αδύνατη η χρήση κλασματικών " #~ "συντεταγμένων." #~ msgid "Cartesian Editor..." #~ msgstr "Καρτεσιανός επεξεργαστής..." #~ msgid "Cartesian editor" #~ msgstr "Καρτεσιανός επεξεργαστής" #~ msgid "Number of atoms: %1" #~ msgstr "Αριθμός ατόμων: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Αριθμός περιστρέψιμων δεσμών: %1" #~ msgid "Add constraint" #~ msgstr "Προσθήκη περιορισμού" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον ένα άτομο για να προσθέσετε " #~ "περιορισμό." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον δύο άτομα για να προσθέσετε " #~ "έναν περιορισμό δεσμού" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον τρία άτομα για να προσθέσετε " #~ "έναν περιορισμό γωνίας" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον τέσσερα άτομα για να " #~ "προσθέσετε έναν περιορισμό δίεδρης γωνίας" #~ msgid "&Crystallography" #~ msgstr "&Κρυσταλλογραφία" #~ msgid "&Reduce" #~ msgstr "Αναγ&ωγή" #~ msgid "&Length Unit" #~ msgstr "Μο&νάδα μήκους" #~ msgid "&Angle Unit" #~ msgstr "Μονάδα &γωνίας" #~ msgid "&Coordinate Display" #~ msgstr "Εμφάνιση &συντεταγμένων" #~ msgid "Coordinate &Preservation" #~ msgstr "Διατήρηση συντεταγμένων" #~ msgid "&Matrix Display" #~ msgstr "Εμφάνιση &πίνακα" #~ msgid "Hide &Editors" #~ msgstr "Απόκρυψη &επεξεργαστών" #~ msgid "Show &Editors" #~ msgstr "Εμφάνιση &επεξεργαστών" #~ msgid "Hide &Property Display" #~ msgstr "Οθόνη απόκρυψης &ιδιοτήτων" #~ msgid "Show &Property Display" #~ msgstr "Οθόνη εμφάνισης &ιδιοτήτων" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Τύπος πλέγματος: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Ομάδα χώρου: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Όγκος μοναδιαίας κυψελίδας: %L1%2" #~ msgid "Undefined" #~ msgstr "Αόριστο" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Τρικλινές" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Μονοκλινές" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ορθορομβικό" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Τετραγωνικό" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Εξαγωνικό" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Κυβικό" #~ msgid "Paste Crystal" #~ msgstr "Επικόλληση κρυστάλλου" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Αποτυχία μείωσης Niggli. Το πλέγμα δομής εισόδου μπερδεύει τον αλγόριθμο " #~ "μείωσης Niggli. Δοκιμάστε να κάνετε μια μικρή διαταραχή (περίπου 2 σειρές " #~ "μεγέθους μικρότερες από την ανοχή) στα πλέγματα εισόδου και δοκιμάστε " #~ "ξανά." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Αποτυχία αναγωγής του κελιού μετά από 1000 επαναλήψεις του αλγορίθμου " #~ "μείωσης. Διακοπή." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Περιστροφή σε πρότυπο &προσανατολισμό" #~ msgid "&Slab..." #~ msgstr "&Πλάκα..." #~ msgid "Perceive Space&group..." #~ msgstr "Κατανόηση &ομάδας χώρου..." #~ msgid "Set &Spacegroup..." #~ msgstr "Ορισμός ομάδας&χώρου..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Γέμισμα μοναδιαίας κυψελίδας" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "" #~ "Γέμισμα της μοναδιαίας κυψελίδας χρησιμοποιώντας την τρέχουσα ομάδα χώρου." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Αναγωγή σε &ασύμμετρη μονάδα" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Αφαίρεση ατόμων σε ισοδύναμες θέσεις (αντιστροφή του κελιού μονάδας " #~ "συμπλήρωσης)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Σ&υμμετρικός κρύσταλλος" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Αναγωγή κυψελίδας (&κύρια)" #~ msgid "&Bohr" #~ msgstr "&Μπορ" #~ msgid "&Nanometer" #~ msgstr "&Νανόμετρα" #~ msgid "&Picometer" #~ msgstr "&Πικόμετρα" #~ msgid "&Degree" #~ msgstr "Μ&οίρες" #~ msgid "&Radian" #~ msgstr "Α&κτίνια" #~ msgid "Display &cartesian coordinates" #~ msgstr "Εμφάνιση κα&ρτεσιανών συντεταγμένων" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Διατήρηση κα&ρτεσιανών συντεταγμένων κατά τη διάρκεια τροποποίησης του " #~ "κελιού" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Διατήρηση κ&λασματικών συντεταγμένων κατά τη διάρκεια τροποποίησης του " #~ "κελιού" #~ msgid "Display &cartesian matrix" #~ msgstr "Εμφάνιση κα&ρτεσιανού πίνακα" #~ msgid "Display &fractional matrix" #~ msgstr "Εμφάνιση κ&λασματικού πίνακα" #~ msgid "Display as &column vectors" #~ msgstr "Εμφάνιση ως διανύσματα &στήλης" #~ msgid "&Crystal View Options..." #~ msgstr "Επιλογές προβολής &κρυστάλλου..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Κατανοητή ομάδα χώρου %1, σύμβολο Hall %2, σύμβολο Hermann-Mauguin %3." #~ "

Η κυψελίδα μπορεί να γίνει συμμετρική σε μια συμβατική ρύθμιση, " #~ "θέλετε να γίνει έτσι; Οι ενέργειες που χρησιμοποιούν συμμετρία (π.χ. " #~ "Δομητής υπερκυψελίδας) το απαιτούν.

" #~ msgid "Set Spacegroup" #~ msgstr "Ορισμός ομάδας χώρου" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Δεν έχει οριστεί ομάδα χώρου για αυτό το έγγραφο.\n" #~ "\n" #~ "Θα θέλατε να ορίσετε μια ομάδα χώρου τώρα;" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Αναγνωρίστηκε ομάδα χώρου P1 -- αδύνατη η συμμετρικοποίηση σε αυτήν την " #~ "ομάδα χώρου.\n" #~ "\n" #~ "Θα θέλατε να ξαναδοκιμάσετε με διαφορετική ανοχή;" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Αναδίπλωση ατόμων στο κελί" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Αναγωγή σε κελί Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Επιλογή ανοχής στις τρέχουσες καρτεσιανές μονάδες:" #~ msgid "Crystallography" #~ msgstr "Κρυσταλλογραφία" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Κατασκευή και ανάλυση περιοδικών δομών." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Η είσοδος δεν είναι μορφοποιημένη ως μία από\n" #~ "τις ακόλουθες υποστηριζόμενες μορφές:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Μορφή VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Εσφαλμένη σύνθεση" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Το πεδίο ταυτοτήτων πρέπει να περιέχει τον ίδιο αριθμό καταχωρίσεων " #~ "οριοθετημένου χώρου όπως η γραμμή 6 του POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Καρτεσιανές συντεταγμένες" #~ msgid "Fractional Coordinates" #~ msgstr "Κλασματικές συντεταγμένες" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Πίνακας κελιού (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Ορισμός πίνακα μοναδιαίας κυψελίδας" #~ msgid "Set Unit Cell Params" #~ msgstr "Ορισμός παραμέτρων μοναδιαίας κυψελίδας" #~ msgid "Working..." #~ msgstr "Εργάζεται..." #~ msgid "Build" #~ msgstr "Κατασκευή" #~ msgid "Cut Slab From Crystal" #~ msgstr "Αποκοπή πλάκας από κρύσταλλο" #~ msgid "No GLWidget?" #~ msgstr "Χωρίς GLWidget;" #~ msgid "Please select one or more atoms." #~ msgstr "Παρακαλούμε επιλέξτε ένα ή περισσότερα άτομα." #~ msgid "Trajectory..." #~ msgstr "Τροχιά..." #~ msgid "Open chemical file format" #~ msgstr "Άνοιγμα μορφής χημικού αρχείου" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Χημικά αρχεία (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Άνοιγμα αρχείου παραμέτρων" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Χημικά αρχεία (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Εισαγωγή τροχιάς" #~ msgid "Import trajectory files" #~ msgstr "Εισαγωγή αρχείων τροχιάς" #~ msgid "Calculate Energy" #~ msgstr "Υπολογισμός ενέργειας" #~ msgid "Conformer Search..." #~ msgstr "Αναζήτηση διαμορφομερούς" #~ msgid "Constraints..." #~ msgstr "Περιορισμοί..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Αδύνατη η ρύθμιση του τρέχοντος επιλεγμένου πεδίου δύναμης για αυτό το " #~ "μόριο. Αλλαγή σε UFF." #~ msgid "Geometric Optimization" #~ msgstr "Γεωμετρική βελτιστοποίηση" #~ msgid "Systematic Rotor Search" #~ msgstr "Συστηματική αναζήτηση ρότορα" #~ msgid "Random Rotor Search" #~ msgstr "Τυχαία αναζήτηση ρότορα" #~ msgid "Weighted Rotor Search" #~ msgstr "Σταθμισμένη αναζήτηση ρότορα" #~ msgid "Genetic Algorithm Search" #~ msgstr "Γενετική αναζήτηση αλγορίθμου" #~ msgid "ForceField" #~ msgstr "Δυναμικό πεδίο" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Βελτιστοποίηση μορίων και δημιουργία διαμορφομερών χρησιμοποιώντας " #~ "δυναμικά πεδία μοριακής μηχανικής" #~ msgid "&Vector Graphics..." #~ msgstr "&Διανυσματικά Γραφικά..." #~ msgid "Common vector image formats" #~ msgstr "Κοινοί τύποι διανυσματικών εικόνων" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Εξαγωγή διανυσματικών γραφικών" #~ msgid "Change H to Methyl" #~ msgstr "Αλλαγή Η σε μεθύλιο" #~ msgid "H to Methyl" #~ msgstr "Από Η σε μεθύλιο" #~ msgid "H2Methyl" #~ msgstr "H2Μεθύλιο" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Μετασχηματισμός υδρογόνων σε ομάδες μεθυλίου" #~ msgid "Add or remove hydrogens" #~ msgstr "Προσθήκη ή αφαίρεση υδρογόνων" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Εισαγωγή αλυσίδων DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Πεπτίδιο..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Εισαγωγή αλληλουχιών ολιγοπεπτιδίων" #~ msgid "Invert Chirality" #~ msgstr "Αντιστροφή χειρομορφίας" #~ msgid "InvertChiral" #~ msgstr "Αντιστροφή χειρόμορφου" #~ msgid "Invert chiral centers" #~ msgstr "Αντιστροφή χειρόμορφων κέντρων" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "άγνωστο" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Εκτιμώμενη διπολική ροπή (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Εμφάνιση τυπικών μοριακών ιδιοτήτων." #~ msgid "Fetch by chemical name..." #~ msgstr "Λήψη κατά χημικό όνομα..." #~ msgid "Fetch from URL..." #~ msgstr "Λήψη από URL..." #~ msgid "PDB Entry" #~ msgstr "Καταχώριση PDB" #~ msgid "PDB entry to download." #~ msgstr "Καταχώριση PDB για μεταφόρτωση." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL του μορίου για μεταφόρτωση." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Το συγκεκριμένο μόριο δεν μπόρεσε να φορτωθεί: %1" #~ msgid "Network Fetch" #~ msgstr "Λήψη δικτύου" #~ msgid "Fetch molecule files over the network." #~ msgstr "Λήψη αρχείων μορίου μέσα από το δίκτυο." #~ msgid "Show Preview" #~ msgstr "Εμφάνιση προεπισκόπησης" #~ msgid "Hide Preview" #~ msgstr "Απόκρυψη προεπισκόπησης" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Αποθήκευση αποδιδόμενης εικόνας POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Αρχεία εικόνας (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Δεν δόθηκε κανένα έγκυρο όνομα αρχείου." #~ msgid "Does not compute." #~ msgstr "Δεν υπολογίζεται." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Δεν ζητήσατε άμεση απόδοση χρησιμοποιώντας POV-Ray και όχι να διατηρήσετε " #~ "το αρχείο POV-Ray. Αυτό θα καταλήξει να μην αποθηκευτεί καμία έξοδος. " #~ "Είσαστε σίγουρος ότι είναι αυτό που θέλετε;" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Αδύνατη η εγγραφή σε αρχείο %1. Έχετε δικαιώματα εγγραφής σε αυτή τη θέση;" #~ msgid "POV-Ray failed to start." #~ msgstr "Αποτυχία εκκίνησης του POV-Ray" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Αποτυχία εκκίνησης του POV-Ray. Ίσως να μην ορίστηκε σωστά η διαδρομή στο " #~ "εκτελέσιμο." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Δημιουργήστε αρχεία POV-Ray και αποδώστε τα χρησιμοποιώντας τη γραμμή " #~ "εντολών του προγράμματος POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Ιδιότητες διαμορφομερούς..." #~ msgid "Python Terminal" #~ msgstr "Τερματικό Python" #~ msgid "pythonTerminalDock" #~ msgstr "Προσάρτηση τερματικού python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Διαδραστικό τερματικό σεναρίου Python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Abinit;" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Το Abinit εκτελείται." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Το Abinit εκτελείται ήδη. Παρακαλούμε περιμένετε μέχρι να ολοκληρωθεί ο " #~ "προηγούμενος υπολογισμός." #~ msgid "Abinit Not Installed." #~ msgstr "Το Abinit δεν έχει εγκατασταθεί." #~ msgid "The abinit executable cannot be found." #~ msgstr "Το εκτελέσιμο abinit δεν μπορεί να βρεθεί." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Ψευδο (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Το abinit δεν ξεκίνησε. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Το Abinit δεν εκτελέστηκε σωστά. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας αρχείου εισόδου Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης αρχείου εισόδου Dalton;" #~ msgid "QM Matches" #~ msgstr "Το QM ταιριάζει" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Επιλογή EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Επιλογή QM..." #~ msgid "You must make a selection!" #~ msgstr "Παρακαλώ επιλέξτε!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Η μετατροπή SMILES είναι μη διαθέσιμη" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Η μετατροπή μορφής SMILES δεν είναι διαθέσιμη!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Δημιουργία αρχείων εισόδου για το πακέτο κβαντικής χημείας GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Οι Προχωρημένες ρυθμίσεις μεταβλήθηκαν." #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Οι προχωρημένες ρυθμίσεις έχουν μεταβληθεί.\n" #~ "Απόρριψη?" #~ msgid "Advanced Settings Reset" #~ msgstr "Επαναφορά προχωρημένων ρυθμίσεων" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Σίγουρα επιθυμείτε να επαναφέρετε τις προχωρημένες ρυθμίσεις;\n" #~ "Όλες οι αλλαγές θα χαθούν!" #~ msgid "Basic Settings Reset" #~ msgstr "Επαναφορά βασικών ρυθμίσεων" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Σίγουρα επιθυμείτε να επαναφέρετε τις βασικές ρυθμίσεις;\n" #~ "Όλες οι αλλαγές θα χαθούν!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου GAMESS-UK;" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Κάρτα εισόδου GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Γκάους" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Γκάους;" #~ msgid "Gaussian Input Deck" #~ msgstr "Κάρτα εισόδου Γκάους" #~ msgid "Gaussian Running." #~ msgstr "Το Gaussian εκτελείται." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Το Gaussian εκτελείται ήδη. Παρακαλώ περιμένετε μέχρι να ολοκληρωθεί ο " #~ "προηγούμενος υπολογισμός." #~ msgid "Gaussian Not Installed." #~ msgstr "Το Gaussian δεν έχει εγκατασταθεί." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Το εκτελέσιμο G03 δεν βρέθηκε." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Το G03 δεν ξεκίνησε. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Running Gaussian calculation..." #~ msgstr "Εκτέλεση υπολογισμού Gaussian" #~ msgid "G03 Crashed." #~ msgstr "Το G03 κατέρρευσε." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Το Gaussian δεν εκτελέστηκε σωστά. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Molpro;" #~ msgid "Molpro Input Deck" #~ msgstr "Κάρτα εισόδου Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Προειδοποίηση εισόδου MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Κάρτα εισόδου MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Το MOPAC εκτελείται." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Το MOPAC εκτελείται ήδη. Παρακαλούμε περιμένετε μέχρι να ολοκληρωθεί ο " #~ "προηγούμενος υπολογισμός." #~ msgid "MOPAC Not Installed." #~ msgstr "Το MOPAC δεν έχει εγκατασταθεί." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Αδύνατη η εύρεση του εκτελέσιμου MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "Αποτυχία εκκίνησης του MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Το MOPAC δεν ξεκίνησε. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Running MOPAC calculation..." #~ msgstr "Εκτελείται υπολογισμός MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "Το MOPAC κατέρρευσε." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Το MOPAC δεν εκτελέστηκε σωστά. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου NWChem;" #~ msgid "NWChem Input Deck" #~ msgstr "Κάρτα εισόδου NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Psi4;" #~ msgid "Psi4 Input Deck" #~ msgstr "Κάρτα εισόδου Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Q-Chem;" #~ msgid "QChem Input Deck" #~ msgstr "Κάρτα εισόδου QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου TeraChem;" #~ msgid "TeraChem Input Deck" #~ msgstr "Κάρτα εισόδου TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Επιλογή SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Προσθήκη επώνυμης επιλογής..." #~ msgid "SMARTS Selection" #~ msgstr "Επιλογή SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Υπόδειγμα SMARTS για επιλογή" #~ msgid "There is no current selection." #~ msgstr "Δεν υπάρχει τρέχουσα επιλογή." #~ msgid "Add Named Selection" #~ msgstr "Προσθήκη επώνυμης επιλογής" #~ msgid "Name cannot be empty." #~ msgstr "Το όνομα δεν μπορεί να είναι κενό." #~ msgid "There is already a selection with this name." #~ msgstr "Υπάρχει ήδη μια επιλογή με αυτό το όνομα." #~ msgid "Selections" #~ msgstr "Επιλογές" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Επιλέξτε άτομα, δεσμούς, υπόλοιπα..." #~ msgid "GLSL Shaders..." #~ msgstr "Σκιαστές GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Ανοίξτε ένα πηγαίο αρχείο σκιαστή κορυφής" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Αρχεία σκιαστή κορυφής (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Ανοίξτε ένα πηγαίο αρχείο σκιαστή τμήματος" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Αρχεία σκιαστή τμήματος (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Ανοίξτε ένα αρχείο παραμέτρων σκιαστή" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Αρχεία παραμέτρων σκιαστή (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Σκιαστές GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Φόρτωση και χρήση σκιαστών OpenGL 2.0 GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "ένταση (ελεύθερες μονάδες)" #~ msgid "Density of States (states/cell)" #~ msgstr "Πυκνότητα καταστάσεων (καταστάσεις/κυψελίδα)" #~ msgid "Density of States (states/atom)" #~ msgstr "Πυκνότητα καταστάσεων (καταστάσεις/άτομο)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Πυκνότητα καταστάσεων (καταστάσεις/ ηλεκτρόνιο σθένους)" #~ msgid "Transmittance (%)" #~ msgstr "Διαπερατότητα (%)" #~ msgid "Absorbance (%)" #~ msgstr "Απορρόφηση (%)" #~ msgid "No intensities" #~ msgstr "Καμία ένταση" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Τα δεδομένα δόνησης στο μόριο που έχετε φορτώσει δεν έχουν δεδομένα " #~ "έντασης. Οι εντάσεις έχουν οριστεί σε μια τυχαία τιμή για οπτικοποίηση." #~ msgid "Activity" #~ msgstr "Ενεργότητα" #~ msgid "X Axis" #~ msgstr "Άξονας X" #~ msgid "Y Axis" #~ msgstr "Άξονας Υ" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Ρυθμίσεις &υπέρυθρων φασμάτων" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Ρυθμίσεις φασμάτων &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "Υπεριώδες" #~ msgid "&UV Settings" #~ msgstr "Ρυθμίσεις &UV" #~ msgid "&CD Settings" #~ msgstr "Ρυθμίσεις &CD" #~ msgid "&Raman Settings" #~ msgstr "Ρυθμίσεις &Ράμαν" #~ msgid "No data" #~ msgstr "Χωρίς δεδομένα" #~ msgid "Dark" #~ msgstr "Σκοτεινό" #~ msgid "Publication" #~ msgstr "Δημοσίευση" #~ msgid "Handdrawn" #~ msgstr "Σχεδιασμένος με το χέρι" #~ msgid "New Scheme" #~ msgstr "Νέο σχήμα" #~ msgid "Confirm Scheme Removal" #~ msgstr "Επιβεβαίωση αφαίρεσης του σχήματος" #~ msgid "Really remove current scheme?" #~ msgstr "Να αφαιρεθεί πραγματικά το τρέχον σχήμα;" #~ msgid "Change Scheme Name" #~ msgstr "Αλλαγή ονόματος σχήματος" #~ msgid "Enter new name for current scheme:" #~ msgstr "Εισαγωγή νέου ονόματος για το τρέχον σχήμα:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Τιμές χωριζόμενες με στηλοθέτη (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Τιμές χωριζόμενες με στηλοθέτη" #~ msgid "Comma Separated Values" #~ msgstr "Τιμές χωριζόμενες με κόμμα" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Εισαγωγή φασμάτων" #~ msgid "Unknown extension: %1" #~ msgstr "Άγνωστη επέκταση: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Δεδομένα IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Δεδομένα IR Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Δεδομένα UV Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Δεδομένα CD Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Μορφή δεδομένων" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Μορφή:" #~ msgid "Load Spectral Data" #~ msgstr "Φόρτωση φασματικών δεδομένων" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Το αρχείο CD Turbomole μορφοποιήθηκε λαθεμένα : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Φορητά Δικτυακά Γραφικά (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Μορφή αρχείου εικόνας με ετικέτες" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Φορητό Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Αποθήκευση εικόνας φασμάτων" #~ msgid "Image successfully written to %1" #~ msgstr "Η εικόνα γράφτηκε με επιτυχία στο %1" #~ msgid "&Advanced <<" #~ msgstr "&Προχωρημένα <<" #~ msgid "&Advanced >>" #~ msgstr "&Προχωρημένα >>" #~ msgid "&Spectra..." #~ msgstr "&Φάσματα..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Οπτικοποίηση φασματικών δεδομένων από υπολογισμούς κβαντικής χημείας" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Ανάλυση δονήσεων" #~ msgid "No vibrational displacements exist." #~ msgstr "Δεν υπάρχουν μετατοπίσεις δόνησης." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Οπτικοποίηση καταστάσεων δονήσεων από υπολογισμούς κβαντικής χημείας" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ταξινόμηση %1 δονήσεων κατά συχνότητα..." #~ msgid "Super Cell Builder..." #~ msgstr "Δομητής υπερκυψελίδας" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Αυτό το έγγραφο είναι προς το παρόν ένα μεμονωμένο μόριο. Πρέπει να " #~ "δημιουργήσετε μια μοναδιαία κυψελίδα." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Κατασκευή και εμφάνιση κρυσταλλογραφικών υπερκυψελίδων" #~ msgid "Molecular Orbitals..." #~ msgstr "Μοριακά τροχιακά..." #~ msgid "Orbitals" #~ msgstr "Τροχιακά" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Κανένας" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Ηλεκτρονική πυκνότητα" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Σφάλμα - αόριστος τύπος" #~ msgid "Calculating VdW Cube" #~ msgstr "Υπολογίζεται ο κύβος ΒΝΤΒ" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Υπολογίζεται το μοριακό τροχιακό %L1" #~ msgid "VdW" #~ msgstr "ΒΝΤΒ" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Οι επιφάνειες ηλεκτροστατικού δυναμικού δεν υποστηρίζονται ακόμα." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Υπολογισμός μοριακών τροχιακών και άλλων επιφανειών" #~ msgid "&Nanotube Builder..." #~ msgstr "Κατασκευαστής &νανοσωλήνων..." #~ msgid "Nanotube Builder" #~ msgstr "Κατασκευαστής νανοσωλήνων" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Άκυρη προδιαγραφή νανοσωλήνα" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Ο νανοσωλήνας που ζητήσατε δεν μπορεί να κατασκευαστεί για τον παρακάτω " #~ "λόγο:\n" #~ "\n" #~ "Ή το n ή το m πρέπει να είναι μεγαλύτερα από 1." #~ msgid "Insert Nanotube" #~ msgstr "Εισαγωγή νανοσωλήνα" #~ msgid "SWCNT Builder" #~ msgstr "Κατασκευαστής SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Κατασκευή νανοσωλήνων άνθρακα μονού τοιχώματος." #~ msgid "Building..." #~ msgstr "Κατασκευάζεται..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Το γραφικό συστατικό GL δεν αρχικοποιήθηκε σωστά για να κάνει βίντεο" #~ msgid "GL widget has no molecule" #~ msgstr "Το γραφικό συστατικό GL δεν έχει κανένα μόριο" #~ msgid "Building video " #~ msgstr "Κατασκευή βίντεο " #~ msgid "Could not run mencoder." #~ msgstr "Αδύνατη η εκτέλεση του mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Ορισμός αναλογίας διαστάσεων" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Η τρέχουσα σκηνή Avogadro έχει πλάτος %1x%2 εικονοστοιχεία και συνεπώς " #~ "έχει αναλογία διαστάσεων %3.\n" #~ "Μπορείτε να κρατήσετε αυτήν την τιμή, για παράδειγμα αν σκοπεύετε να " #~ "χρησιμοποιήσετε POV-Ray για να παράξετε μια εικόνα %4x1000\n" #~ "εικονοστοιχεία, ή μπορείτε να εισάγετε οποιαδήποτε άλλη θετική τιμή,\n" #~ "για παράδειγμα 1 αν σκοπεύετε να χρησιμοποιήσετε το POV-Ray για να " #~ "παράξετε μια τετράγωνη εικόνα, όπως 1000x1000 εικονοστοιχεία." #~ msgid "Connect" #~ msgstr "Σύνδεση" #~ msgid "Disconnect" #~ msgstr "Αποσύνδεση" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Εντοπισμός Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Εντοπισμός κίνησης χρησιμοποιώντας απομακρυσμένα Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Άκυρο περιεχόμενο OpenGL.\n" #~ "Ή κάτι κατέρρευσε πλήρως στη διαμόρφωση OpenGL (μπορείτε να εκτελέσετε " #~ "οποιαδήποτε εφαρμογή OpenGL;) ή βρήκατε ένα σφάλμα." #~ msgid "Debug Information" #~ msgstr "Πληροφορίες αποσφαλμάτωσης" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Μέγεθος προβολής: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Άτομα: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: ο δείκτης %1 είναι απροσπέλαστος." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Ο τύπος αρχείου '%1' δεν υποστηρίζεται για ανάγνωση." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Ο τύπος αρχείου για το αρχείο '%1' δεν υποστηρίζεται για ανάγνωση." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Αποτυχία ανάγνωσης του μορίου με δείκτη %1 από το αρχείο '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Αντικατάσταση μορίου: ο δείκτης %1 εκτός ορίων." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Ο τύπος αρχείου '%1' δεν υποστηρίζεται για εγγραφή." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Ο τύπος αρχείου για το αρχείο '%1' δεν υποστηρίζεται για εγγραφή." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Αδύνατο το άνοιγμα του αρχείου '%1' για ανάγνωση." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Η αντικατάσταση του μορίου με δείκτη %1 στο αρχείο '%2' απέτυχε." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Το αρχείο %1 δεν μπορεί να ανοιχτεί για ανάγνωση." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Το αρχείο %1 δεν μπορεί να ανοιχτεί για εγγραφή." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Αποτυχία αποθήκευσης μοριακού αρχείου - αδύνατη η μετονομασία του αρχικού " #~ "αρχείου." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Αποτυχία αποθήκευσης μοριακού αρχείου - αδύνατη η μετονομασία του νέου " #~ "αρχείου." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Αποτυχία αποθήκευσης μοριακού αρχείου - αδύνατη η αφαίρεση του παλιού " #~ "αρχείου." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Αποτυχία εγγραφής του μορίου στο αρχείο '%1'. Αποτυχία της συνάρτησης " #~ "OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Το αρχείο %1 δεν μπορεί να ανοιχτεί για εγγραφή." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Αποτυχία εγγραφής διαμορφομερών στο αρχείο'%1'" #~ msgid "Molecule %1" #~ msgstr "Μόριο %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Άγνωστη μηχανή Python" #~ msgid "N/A" #~ msgstr "Μη διαθέσιμο" #~ msgid "PythonEngine: checking " #~ msgstr "Μηχανή Python: ελέγχεται " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - το σενάριο δεν έχει καμία ορισμένη κλάση 'Engine'" #~ msgid " - no module" #~ msgstr " - χωρίς άρθρωμα" #~ msgid "Unknown Python Extension" #~ msgstr "Άγνωστη επέκταση Python" #~ msgid "PythonExtension: checking " #~ msgstr "Επέκταση Python: ελέγχεται " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - το σενάριο δεν έχει καμία ορισμένη κλάση 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Άγνωστο εργαλείο Python" #~ msgid "PythonTool: checking " #~ msgstr "Εργαλείο Python: ελέγχεται " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - το σενάριο δεν έχει καμία ορισμένη κλάση 'Tool'" #~ msgid "Conformer %1" #~ msgstr "Διαμορφομερές %1" #~ msgid "Tools" #~ msgstr "Εργαλεία" #~ msgid "Align:" #~ msgstr "Στοίχιση:" #~ msgid "Everything" #~ msgstr "Όλα" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Εργαλείο αυτόματης βελτιστοποίησης\n" #~ "\n" #~ "Συναρτήσεις περιήγησης κατά το πάτημα σε κενό χώρο.\n" #~ "Αριστερό πλήκτρο: Περιστροφή χώρου\n" #~ "Μεσαίο πλήκτρο: Εστίαση χώρου\n" #~ "Δεξιό πλήκτρο: Μετακίνηση χώρου\n" #~ "Διπλό πάτημα: Επαναφορά προβολής\n" #~ "\n" #~ "Κατά την εκτέλεση:\n" #~ "Αριστερό πλήκτρο: Πάτημα και μετακίνηση ατόμων για τη μετακίνησή τους." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Αυτόματη βελτιστοποίηση: Αδύνατη η ρύθμιση του δυναμικού πεδίου...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Αριθμός περιορισμών: %1" #~ msgid "Steps per Update:" #~ msgstr "Βήματα ανά ενημέρωση:" #~ msgid "Algorithm:" #~ msgstr "Αλγόριθμος:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Μοριακή δυναμική (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Μοριακή δυναμική (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Τα σταθερά άτομα μπορούν να κινηθούν" #~ msgid "Ignored atoms are movable" #~ msgstr "Τα αγνοημένα άτομα μπορούν να κινηθούν" #~ msgid "AutoOpt Molecule" #~ msgstr "Μόριο αυτόματης βελτιστοποίησης" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Αυτόματη βελτιστοποίηση της μοριακής γεωμετρίας" #~ msgid "AutoOptimization Settings" #~ msgstr "Ρυθμίσεις αυτόματης βελτιστοποίησης" #~ msgid "Auto Rotation Tool" #~ msgstr "Εργαλείο αυτόματης περιστροφής" #~ msgid "x rotation:" #~ msgstr "περιστροφή x:" #~ msgid "x rotation" #~ msgstr "περιστροφή x" #~ msgid "y rotation:" #~ msgstr "περιστροφή y:" #~ msgid "y rotation" #~ msgstr "περιστροφή y" #~ msgid "z rotation:" #~ msgstr "περιστροφή z:" #~ msgid "z rotation" #~ msgstr "περιστροφή z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Αυτόματη περιστροφή μορίων" #~ msgid "AutoRotate Settings" #~ msgstr "Ρυθμίσεις αυτόματης περιστροφής" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Μήκος δεσμού: %L1" #~ msgid " Show Angles" #~ msgstr " Εμφάνιση γωνιών" #~ msgid "Snap-to Threshold: " #~ msgstr "Κατώφλι προσαρμογής: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Χειρισμός κεντρικού δεσμού" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Χειρισμός μηκών, γωνιών και στρέψεων δεσμού" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Ρυθμίσεις χειρισμού κεντρικού δεσμού" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Απόσταση (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Απόσταση (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Δίεδρη γωνία: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Αποστάσεις:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Μέτρηση μηκών δεσμού, γωνιών και διέδρων" #~ msgid "Draw Bond" #~ msgstr "Σχεδίαση δεσμού" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Σχεδίαση και επεξεργασία ατόμων και δεσμών" #~ msgid "Draw Settings" #~ msgstr "Ρυθμίσεις σχεδίασης" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Μετακίνηση, περιστροφή και προσαρμογή ατόμων και τμημάτων" #~ msgid "Manipulate Settings" #~ msgstr "Ρυθμίσεις χειρισμού" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Μετακίνηση, περιστροφή και εστίαση γύρω από την τρέχουσα προβολή" #~ msgid "Navigate Settings" #~ msgstr "Ρυθμίσεις περιήγησης" #~ msgid "Selection Mode:" #~ msgstr "Λειτουργία επιλογής:" #~ msgid "Atom/Bond" #~ msgstr "Άτομο/Δεσμός" #~ msgid "Residue" #~ msgstr "Υπόλοιπο" #~ msgid "Add Center of Atoms" #~ msgstr "Προσθήκη κέντρου ατόμων" #~ msgid "Change color of the atom" #~ msgstr "Αλλαγή χρώματος του ατόμου" #~ msgid "Change label of the atom" #~ msgstr "Αλλαγή ετικέτας του ατόμου" #~ msgid "Change label of the bond" #~ msgstr "Αλλαγή ετικέτας του δεσμού" #~ msgid "Change radius of the atom" #~ msgstr "Αλλαγή ακτίνας του ατόμου" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Νέα ακτίνα, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Επιλέξτε άτομα, υπόλοιπα και μόρια" #~ msgid "Symbol" #~ msgstr "Σύμβολο" #~ msgid "Bond Length" #~ msgstr "Μήκος δεσμού" #~ msgid "Dihedral Angle" #~ msgstr "Δίεδρη γωνία" #~ msgid "Z Matrix Editor..." #~ msgstr "Επεξεργαστής πίνακα Z..." #~ msgid "Z-Matrix" #~ msgstr "Πίνακας Ζ" #~ msgid "Create/edit a z-matrix" #~ msgstr "Δημιουργία/επεξεργασία ενός πίνακα z" #~ msgid "Z-Matrix Settings" #~ msgstr "Ρυθμίσεις πίνακα Z" #~ msgid "Color residues by:" #~ msgstr "Υπόλοιπα χρώματος κατά:" #~ msgid "Hydrophobicity" #~ msgstr "Υδροφοβία" #~ msgid "Axes:" #~ msgstr "Άξονες:" #~ msgid "Cartesian Axes" #~ msgstr "Καρτεσιανοί άξονες" #~ msgid "Orthogonal Axes" #~ msgstr "Ορθογώνιοι άξονες" #~ msgid "Axis 1:" #~ msgstr "Άξονας 1:" #~ msgid "Axis 2:" #~ msgstr "Άξονας 2:" #~ msgid "Axis 3:" #~ msgstr "Άξονας 3:" #~ msgid "Origin:" #~ msgstr "Αρχικό:" #~ msgid "Norm" #~ msgstr "Νόρμα" #~ msgid "Preserve vector norms" #~ msgstr "Διατήρηση διανυσματικών νορμών" #~ msgid "Atom Radius:" #~ msgstr "Ακτίνα ατόμου:" #~ msgid "Bond Radius:" #~ msgstr "Ακτίνα δεσμού:" #~ msgid "Shape" #~ msgstr "Σχήμα" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Βρόχος" #~ msgid "Dipole:" #~ msgstr "Δίπολο:" #~ msgid "Custom Vector" #~ msgstr "Προσαρμοσμένο διάνυσμα" #~ msgid "Custom:" #~ msgstr "Προσαρμοσμένο:" #~ msgid "Cut-off radius:" #~ msgstr "Ακτίνα αποκοπής:" #~ msgid "Cut-off angle:" #~ msgstr "Γωνία αποκοπής:" #~ msgid "Rendering Engine:" #~ msgstr "Απόδοση μηχανής:" #~ msgid "TextRenderer" #~ msgstr "Απόδοση κειμένου" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Κείμενο:" #~ msgid "Symbol & Number in Group" #~ msgstr "Σύμβολο & αριθμός σε ομάδα" #~ msgid "Symbol & Atom number" #~ msgstr "Σύμβολο & ατομικός αριθμός" #~ msgid "Partial charge" #~ msgstr "Μερικό φορτίο" #~ msgid "Residue number" #~ msgstr "Αριθμός υπολοίπου" #~ msgid "Custom data" #~ msgstr "Προσαρμοσμένα δεδομένα" #~ msgid "Change Font" #~ msgstr "Αλλαγή γραμματοσειράς" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Μετατόπιση ετικέτας:" #~ msgid "Bond length" #~ msgstr "Μήκος δεσμού" #~ msgid "Bond number" #~ msgstr "Αριθμός δεσμού" #~ msgid "Bond order" #~ msgstr "Τάξη δεσμού" #~ msgid "Lines" #~ msgstr "Γραμμές" #~ msgid "Radius:" #~ msgstr "Ακτίνα:" #~ msgid "Include Nitrogens" #~ msgstr "Συμπερίληψη αζώτων" #~ msgid "VdW Opacity:" #~ msgstr "Αδιαφάνεια VdW:" #~ msgid "Orbital:" #~ msgstr "Τροχιακό:" #~ msgid "Render:" #~ msgstr "Απόδοση:" #~ msgid "Fill" #~ msgstr "Συμπλήρωση" #~ msgid "Points" #~ msgstr "Σημεία" #~ msgid "Draw Box:" #~ msgstr "Πλαίσιο σχεδίασης:" #~ msgid "Mapped Colors" #~ msgstr "Αντιστοιχισμένα χρώματα" #~ msgid "Positive" #~ msgstr "Θετικό" #~ msgid "Negative" #~ msgstr "Αρνητικό" #~ msgid "Show Atoms" #~ msgstr "Εμφάνιση ατόμων" #~ msgid "Animate Trajectory" #~ msgstr "Παραγωγή τροχιάς" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Βρόχος" #~ msgid "Save as .avi..." #~ msgstr "Αποθήκευση ως .avi..." #~ msgid "Angstroms" #~ msgstr "Ανγκστρομς" #~ msgid "Bohrs" #~ msgstr "Μπορς" #~ msgid "Fractional" #~ msgstr "Κλασματικός" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, μόνο συντεταγμένες" #~ msgid "GAMESS Input #2" #~ msgstr "Είσοδος GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Είσοδος Priroda" #~ msgid "Apply Changes" #~ msgstr "Εφαρμογή αλλαγών" #~ msgid "Cut All" #~ msgstr "Αποκοπή Όλων" #~ msgid "Paste to the End" #~ msgstr "Επικόλληση στο Τέλος" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Επικόλληση ή " #~ "επεξεργασία ατομικών συντεταγμένων εδώ. Μπορείτε να επικολλήσετε σχεδόν " #~ "κάθε τμήμα κειμένου, που περιέχει συντεταγμένες

" #~ msgid "(None)" #~ msgstr "(Κανένα)" #~ msgid "Sort by " #~ msgstr "Ταξινόμηση κατά " #~ msgid "Number of atoms:" #~ msgstr "Αριθμός ατόμων:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Αριθμός περιστρέψιμων δεσμών:" #~ msgid "Ignore Atom" #~ msgstr "Παράβλεψη ατόμου" #~ msgid "Fix Atom" #~ msgstr "Ορισμός ατόμου" #~ msgid "Fix Atom X" #~ msgstr "Ορισμός ατόμου Χ" #~ msgid "Fix Atom Y" #~ msgstr "Ορισμός ατόμου Υ" #~ msgid "Fix Atom Z" #~ msgstr "Ορισμός ατόμου Ζ" #~ msgid "Torsion angle" #~ msgstr "Γωνία στρέψης" #~ msgid "Save" #~ msgstr "Αποθήκευση" #~ msgid "Load" #~ msgstr "Φόρτωση" #~ msgid "Atomic &identites:" #~ msgstr "Ατομικές &ταυτότητες:" #~ msgid "Surface Slab Builder" #~ msgstr "Κατασκευαστής πλάκας επιφάνειας" #~ msgid "Plane:" #~ msgstr "Επίπεδο:" #~ msgid "&Miller Indices:" #~ msgstr "Δείκτες &Μίλερ:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Προειδοποίηση: Χρησιμοποιήστε μη μηδενικούς δείκτες Μίλερ" #~ msgid "Width (x)" #~ msgstr "Πλάτος (x)" #~ msgid "Width (y)" #~ msgstr "Πλάτος (y)" #~ msgid "Height (z)" #~ msgstr "Ύψος (z)" #~ msgid "length" #~ msgstr "μήκος" #~ msgid "cell repeats" #~ msgstr "επαναλήψεις κελιού" #~ msgid "&Translate " #~ msgstr "&Μετακίνηση " #~ msgid "by arbitrary vector" #~ msgstr "κατά τυχαίο διάνυσμα" #~ msgid "selected atom to unit cell center" #~ msgstr "το επιλεγμένο άτομο στο κέντρο της μοναδιαίας κυψελίδας" #~ msgid "Translation vector:" #~ msgstr "Διάνυσμα μετακίνησης:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Μονάδες &διανύσματος:" #~ msgid "Cartesian" #~ msgstr "Καρτεσιανές" #~ msgid "&Translate" #~ msgstr "&Μετακίνηση" #~ msgid "Crystal View Options" #~ msgstr "Επιλογές προβολής κρυστάλλου" #~ msgid "Unit Cell Repeats:" #~ msgstr "Επαναλήψεις μοναδιαίας κυψελίδας:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Να σχεδιαστούν οι μοναδιαίες κυψελίδες" #~ msgid "One" #~ msgstr "Ένα" #~ msgid "All" #~ msgstr "Όλα" #~ msgid "Color..." #~ msgstr "Χρώμα..." #~ msgid "View Along:" #~ msgstr "Προβολή με:" #~ msgid "Default View" #~ msgstr "Προεπιλεγμένη προβολή" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Δείκτες Μίλερ" #~ msgid "File Import..." #~ msgstr "Εισαγωγή αρχείου..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Να γίνει προσπάθεια κατανόησης των δεσμών;" #~ msgid "Setup Force Field" #~ msgstr "Ρύθμιση δυναμικού πεδίου" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Αριθμός βημάτων" #~ msgid "Algorithm" #~ msgstr "Αλγόριθμος" #~ msgid "L" #~ msgstr "ΑΡ" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Άλφα έλικα" #~ msgid "Beta Sheet" #~ msgstr "φύλλο βήτα" #~ msgid "Pi Helix" #~ msgstr "Έλικας πι" #~ msgid "Phi:" #~ msgstr "Φι:" #~ msgid "Psi:" #~ msgstr "Ψι:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Αριθμός υπολοίπων:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Ενέργεια (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Ροπή διπόλου (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Προχωρημένη" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Πλέγμα" #~ msgid "POV-Ray Export" #~ msgstr "Εξαγωγή POV-Ray" #~ msgid "Select..." #~ msgstr "Επιλογή..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Χρήση πλήρους εξομάλυνσης σκηνής" #~ msgid "Antialias" #~ msgstr "Εξομάλυνση" #~ msgid "Set the background color to be transparent" #~ msgstr "Ορισμός του χρώματος παρασκηνίου σε διαφανές" #~ msgid "Alpha transparency" #~ msgstr "Διαφάνεια άλφα" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Απόδοση του μορίου άμεσα χρησιμοποιώντας τη γραμμή εντολών POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Διατήρηση της πηγής POV-Ray μετά την ολοκλήρωση της απόδοσης" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Διατήρηση της πηγής POV-Ray μετά την απόδοση" #~ msgid "Path:" #~ msgstr "Διαδρομή:" #~ msgid "Abinit Input" #~ msgstr "Είσοδος Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Καρτεσιανή (άνγκστρομ)" #~ msgid "Reduced" #~ msgstr "Αναγμένο" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Αποκοπή επιπέδου κύματος (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Ανοχή στις δυνάμεις (Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Μέγιστη επέκταση πλέγματος:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "μετατόπιση σημείου k:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Αριθμός ζωνών:" #~ msgid "# k-point shifts:" #~ msgstr "# Μετατοπίσεις σημείου k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Αποκοπή PW διπλού πλέγματος (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Σχήμα κατάληψης:" #~ msgid "Wave Function norm" #~ msgstr "Νόρμα συνάρτησης κύματος" #~ msgid "Total Potential" #~ msgstr "Συνολικό δυναμικό" #~ msgid "Relative Force" #~ msgstr "Σχετική δύναμη" #~ msgid "1 - semiconducting" #~ msgstr "1 - ημιαγωγό" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Φέρμι Ντιράκ" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Ψυχρή επάλειψη (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Επάλειψη Γκάους" #~ msgid "Smearing width (Ha):" #~ msgstr "Πλάτος επάλειψης (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - χωρίς ιόντα μετακίνησης " #~ msgid "1 - viscous damping" #~ msgstr "1 - ιξώδης απόσβεση" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS με ενέργεια" #~ msgid "# Geometrical time steps:" #~ msgstr "# Γεωμετρικά βήματα χρόνου:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Εξομάλυνση κινητικής ενέργειας (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Υπολογίζεται..." #~ msgid "Dalton Input" #~ msgstr "Είσοδος Ντάλτον" #~ msgid "Basics" #~ msgstr "Βασικά" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Προσθέτει ό,τι πληκτρολογείτε στη γραμμή τίτλου του αρχείου εισόδου για\n" #~ "τους δικούς σας σκοπούς πληροφόρησης." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Τεχνοτροπία Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Ομοιόμορφη πόλωση Γιένσεν" #~ msgid "Dunning's correlation consistent" #~ msgstr "Ομοιόμορφη συσχέτιση Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Συναρτήσεις συσχέτισης πυρήνα" #~ msgid "Diffuse functions" #~ msgstr "Συναρτήσεις διάχυσης" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Άμεση" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Παράλληλη εκτέλεση όπου είναι δυνατό. Αυτό είναι δυνατό μόνο για SCF\n" #~ "κυματοσυναρτήσεις και υπολογισμούς DFT. Το Ντάλτον υποστηρίζει μόνο MPI\n" #~ "στην τρέχουσα έκδοση και πρέπει να μεταγλωττιστεί και να εγκατασταθεί\n" #~ "σωστά. Ο αριθμός των κόμβων ορίζεται χρησιμοποιώντας την επιλογή \"-N #\" " #~ "κατά την εκτέλεση του σεναρίου \"dalton\"." #~ msgid "Parallel" #~ msgstr "Παράλληλα" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Προδιαγραφή πλέγματος" #~ msgid "Partitioning Scheme:" #~ msgstr "Σχήμα διαμέρισης:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (αρχικό)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Ποιότητα πλέγματος:" #~ msgid "coarse" #~ msgstr "χονδρική" #~ msgid "normal" #~ msgstr "κανονική" #~ msgid "fine" #~ msgstr "λεπτομερής" #~ msgid "ultrafine" #~ msgstr "πολύ λεπτομερής" #~ msgid "Radial Scheme:" #~ msgstr "Ακτινικό σχήμα:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Εμφάνιση όλων των συναρτήσεων" #~ msgid "Property:" #~ msgstr "Ιδιότητα:" #~ msgid "Polarizability" #~ msgstr "Πολωσιμότητα" #~ msgid "Frequency Dependent" #~ msgstr "Εξαρτημένη συχνότητα" #~ msgid "No. excitations:" #~ msgstr "Αριθμός διεγέρσεων:" #~ msgid "EFP Matches" #~ msgstr "Συμφωνίες EFP" #~ msgid "Group Label:" #~ msgstr "Ετικέτα ομάδας:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Προχωρημένη ρύθμιση" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Στατιστικό σημείο" #~ msgid "System" #~ msgstr "Σύστημα" #~ msgid "MO Guess" #~ msgstr "Πρόβλεψη μοριακών τροχιακών" #~ msgid "Misc" #~ msgstr "Διάφορα" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Συναρτήσεις πόλωσης βαρέως ατόμου:" #~ msgid "Read" #~ msgstr "Ανάγνωση" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Διάχυση φλοιού S σε βαριά άτομα" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Διάχυση φλοιού L σε βαριά άτομα" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Διπλό σθένος ζήτα" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Τριπλό σθένος ζήτα" #~ msgid "SBKJA Valence" #~ msgstr "Σθένος SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Σθένος Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Τύπος ECP:" #~ msgid "Default" #~ msgstr "Προεπιλογή" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Συναρτήσεις πόλωσης βαρέως ατόμου:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Συναρτήσεις πόλωσης ελαφριού ατόμου:" #~ msgid "Polar:" #~ msgstr "Πολική:" #~ msgid "Max SCF Iterations:" #~ msgstr "Μέγιστες επαναλήψεις SCF:" #~ msgid "Gradient" #~ msgstr "Βαθμίδα" #~ msgid "Trudge" #~ msgstr "Σύρσιμο" #~ msgid "Saddle Point" #~ msgstr "Σαγματικό σημείο" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Ακρότατο βαθμίδας" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Μοροκούμα" #~ msgid "Radiative Transition mom." #~ msgstr "mom. μετάπτωσης ακτινοβολίας" #~ msgid "Spin Orbit" #~ msgstr "Τροχιά ιδιοστροφορμής" #~ msgid "Finite Electric Field" #~ msgstr "Πεπερασμένο ηλεκτρικό πεδίο" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Γενική βελτιστοποίηση" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Βελτιστοποίηση FMO" #~ msgid "Raman Intensities" #~ msgstr "Εντάσεις Ράμαν" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Κανένα (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Τύπος SCF:" #~ msgid "Localization Method:" #~ msgstr "Μέθοδος τοπικοποίησης:" #~ msgid "Exec Type:" #~ msgstr "Τύπος εκτέλεσης:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ορίζουσα Ames Lab." #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Περιορισμένη κατάληψη πολλαπλού ενεργού χώρου" #~ msgid "CI Singles" #~ msgstr "Απλές CI" #~ msgid "Full Second Order CI" #~ msgstr "Πλήρης δεύτερης τάξης CI" #~ msgid "General CI" #~ msgstr "Γενική CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Γραμμικοποιημένα CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC με διπλές" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC με απλές και διπλές" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Κανονική εκτέλεση" #~ msgid "Check" #~ msgstr "Έλεγχος" #~ msgid "Debug" #~ msgstr "Αποσφαλμάτωση" #~ msgid "Molecule Charge:" #~ msgstr "Φορτίο μορίου:" #~ msgid "Run Type:" #~ msgstr "Τύπος εκτέλεσης:" #~ msgid "Use MP2" #~ msgstr "Χρήση MP2" #~ msgid "Use DFT" #~ msgstr "Χρήση DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# των μεταβλητών πίνακα Z" #~ msgid "Ǻngstrom" #~ msgstr "Ανγκστρομ" #~ msgid "Order of Principal Axis:" #~ msgstr "Σειρά του κύριου άξονα:" #~ msgid "Coordinate Type:" #~ msgstr "Τύπος συντεταγμένων:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Μοναδικές καρτεσιανές συντεταγμένες." #~ msgid "Hilderbrant internals" #~ msgstr "Εσωτερικά Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Πίνακας Ζ MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Χρήση συμμετρίας κατά τη διάρκεια του υπολογισμού" #~ msgid "Point Group:" #~ msgstr "Ομάδα σημείων:" #~ msgid "Minutes" #~ msgstr "Λεπτά" #~ msgid "Hours" #~ msgstr "Ώρες" #~ msgid "Days" #~ msgstr "Ημέρες" #~ msgid "Weeks" #~ msgstr "Εβδομάδες" #~ msgid "Years" #~ msgstr "Έτη" #~ msgid "Millenia" #~ msgstr "Χιλιετίες" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Εξαναγκασμός παράλληλων μεθόδων" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Παραγωγή αρχείου \"πυρήνα\" κατά την διακοπή" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Μνήμη:" #~ msgid "Diagonalization Method:" #~ msgstr "Μέθοδος διαγωνοποίησης:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Τύπος ισορροπίας παράλληλου φορτίου" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Βρόχος" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Επόμενη τιμή" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Χρήση εξωτερικής αναπαράστασης δεδομένων για μηνύματα" #~ msgid "Initial Guess:" #~ msgstr "Αρχική πρόβλεψη:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Ανάγνωση μοριακών τροχιακών ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Αποθηκευμένα μοριακά τροχιακά (DICTNRY)" #~ msgid "Skip" #~ msgstr "Παράλειψη" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "περιστροφή τροχιακών άλφα και βήτα" #~ msgid "Print the Initial Guess" #~ msgstr "Εκτύπωση αρχικής πρόβλεψης" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Διεπαφή GAMESS σε άλλους κώδικες" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Εξαναγκασμός ελέγχου τύπου εκτέλεσης" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Έκδοση UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Επιδιαλυτωμένο με νερό" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Δημιουργία φυσικών τροχιακών UHF" #~ msgid "Direct SCF" #~ msgstr "Άμεσο SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Να υπολογίζονται μόνο τα αλλαγμένα στον πίνακα Fock" #~ msgid "Slater exchange" #~ msgstr "Ανταλλαγή Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Ανταλλαγή Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Συσχέτιση Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Συσχέτιση Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Ανταλλαγή Slater + Συσχέτιση VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Ανταλλαγή BECKE + Συσχέτιση VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Ανταλλαγή BECKE+ Συσχέτιση LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Ανταλλαγή Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Ανταλλαγή Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Σταδιακή συσχέτιση μιας παραμέτρου" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Συσχέτιση Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Συσχέτιση OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Ανταλλαγή BECKE + Συσχέτιση OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Ανταλλαγή GILL + Συσχέτιση VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Ανταλλαγή GILL + Συσχέτιση LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Ανταλλαγή PBE + Συσχέτιση VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Ανταλλαγή PBE + Συσχέτιση LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Ανταλλαγή PBE + Συσχέτιση OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Ανταλλαγή HF και BECKE + Συσχέτιση LYP" #~ msgid "Grid-Free" #~ msgstr "Χωρίς πλέγμα" #~ msgid "AO Integral Storage" #~ msgstr "Αποθήκευση ολοκληρώματος AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Διπλό σε κάθε κόμβο" #~ msgid "Distributed Across All Nodes" #~ msgstr "Διανεμημένο μέσα από όλους τους κόμβους" #~ msgid "words" #~ msgstr "λέξεις" #~ msgid "Compute MP2 Properties" #~ msgstr "Υπολογισμός ιδιοτήτων MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Αποκοπή ανάσχεσης ολοκληρώματος:" #~ msgid "Use Localized Orbitals" #~ msgstr "Χρήση τοπικών τροχιακών" #~ msgid "# of Core Electrons:" #~ msgstr "# από πυρήνα ηλεκτρονίων" #~ msgid "Transformation Method" #~ msgstr "Μέθοδος μετασχηματισμού" #~ msgid "Two Phase Bin Sort" #~ msgstr "Δυαδική ταξινόμηση δύο φάσεων" #~ msgid "Segmented Transformation" #~ msgstr "Τμηματικός μετασχηματισμός" #~ msgid "Numeric" #~ msgstr "Αριθμητική" #~ msgid "Double Differenced Hessian" #~ msgstr "Διπλά παραγωγισμένος Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Εκτύπωση εσωτερικών σταθερών δύναμης" #~ msgid "Displacement Size:" #~ msgstr "Μέγεθος μετατόπισης:" #~ msgid "Purify Hessian" #~ msgstr "Καθαρισμός Hessian" #~ msgid "bohrs" #~ msgstr "μπορς" #~ msgid "Initial Hessian" #~ msgstr "Αρχικό Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Πρόβλεψη (+ορισμός)" #~ msgid "Read (from $HESS)" #~ msgstr "Ανάγνωση (από $HESS)" #~ msgid "Update Step Size" #~ msgstr "Μέγεθος βήματος ενημέρωσης" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Εκτύπωση τροχιακών σε κάθε επανάληψη" #~ msgid "Stationary Point" #~ msgstr "Στατικό σημείο" #~ msgid "Initial:" #~ msgstr "Αρχικά:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Βελτιστοποίηση ρητής συνάρτησης" #~ msgid "Quadratic Approximation" #~ msgstr "Δευτεροβάθμια προσέγγιση" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (σχεδόν-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Περιορισμένη βελτιστοποίηση" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Επανυπολογισμός του Hesse κάθε:" #~ msgid "Follow Mode:" #~ msgstr "Κατάσταση παρακολούθησης:" #~ msgid "GAMESS-UK Input" #~ msgstr "Είσοδος GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Η είσοδος GAMESS-UK που δημιουργήθηκε από το Avogadro" #~ msgid "Transition State Search" #~ msgstr "Αναζήτηση κατάστασης μετάβασης" #~ msgid "Basis:" #~ msgstr "Βάση:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Πίνακας Ζ" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Στην άμεση κατάσταση, τα ολοκληρώματα δεν αποθηκεύονται στον δίσκο, αλλά " #~ "επανυπολογίζονται όταν χρειάζεται.\n" #~ "Στα σύγχρονα συστήματα με γρήγορους επεξεργαστές και αργούς δίσκους, η " #~ "άμεση κατάσταση είναι συχνά γρηγορότερη." #~ msgid "Run in direct mode:" #~ msgstr "Εκτέλεση σε άμεση κατάσταση:" #~ msgid "Gaussian Input" #~ msgstr "Εισαγωγή Γκάους" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Τυπικό" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Σημείο ελέγχου:" #~ msgid "Z-matrix (compact)" #~ msgstr "Πίνακας Ζ (συμπαγής)" #~ msgid "MOLPRO Input" #~ msgstr "Είσοδος MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Έκδοση Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Είσοδος MOPAC" #~ msgid "Quartet" #~ msgstr "Τετραπλή" #~ msgid "Quintet" #~ msgstr "Πενταπλή" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Είσοδος NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Είσοδος Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Είσοδος TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Απεριόριστο" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "όχι" #~ msgid "yes" #~ msgstr "ναι" #~ msgid "Dispersion:" #~ msgstr "Διασπορά:" #~ msgid "Load Shaders" #~ msgstr "Φόρτωση σκιαστών" #~ msgid "Shader Name:" #~ msgstr "Όνομα σκιαστή:" #~ msgid "Vertex Shader:" #~ msgstr "Σκιαστής κορυφής:" #~ msgid "Fragment Shader:" #~ msgstr "Σκιαστής τμήματος:" #~ msgid "Assign Shader" #~ msgstr "Ανάθεση σκιαστή" #~ msgid "Display Type:" #~ msgstr "Τύπος εμφάνισης:" #~ msgid "Font:" #~ msgstr "Γραμματοσειρά:" #~ msgid "Change Font..." #~ msgstr "Αλλαγή γραμματοσειράς..." #~ msgid "Foreground:" #~ msgstr "Προσκήνιο:" #~ msgid "New..." #~ msgstr "Νέο..." #~ msgid "Rename..." #~ msgstr "Μετονομασία..." #~ msgid "&Schemes:" #~ msgstr "&Σχήματα:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Πλάτος:" #~ msgid "&Height" #~ msgstr "Ύ&ψος" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "ιν" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Χρήση μιας βελτιστοποιημένης τιμής για το μέγεθος γραμματοσειράς αντί για " #~ "το σχήμα-καθορισμένη τιμή (η οθόνη προς τα μεγέθη σημείου εικόνας δεν " #~ "μεταφέρονται καλά!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Αυτόματη προσαρμογή μεγέθους &γραμματοσειράς" #~ msgid "Spectra Tab" #~ msgstr "Καρτέλα φασμάτων" #~ msgid "&Gaussian Width:" #~ msgstr "Πλάτος Γ&κάους" #~ msgid "&Label peaks" #~ msgstr "Κορυφές ε&τικέτας" #~ msgid "Rotatory Strength type:" #~ msgstr "Τύπος δύναμης περιστροφής:" #~ msgid "Energy units:" #~ msgstr "Μονάδες Ενέργειας:" #~ msgid "Density units" #~ msgstr "Μονάδες πυκνότητας" #~ msgid "Fermi Energy: " #~ msgstr "Ενέργεια Φέρμι: " #~ msgid "States / Cell" #~ msgstr "Καταστάσεις / κελί" #~ msgid "States / Atom" #~ msgstr "Καταστάσεις / άτομο" #~ msgid "States / Valence electron" #~ msgstr "Καταστάσεις / ηλεκτρονικό σθένος" #~ msgid "Fermi energy at zero" #~ msgstr "Ενέργεια Φέρμι στο μηδέν" #~ msgid "Scale integrated DOS" #~ msgstr "Κλιμάκωση ολοκληρωμένου DOS" #~ msgid "Show integrated DOS" #~ msgstr "Εμφάνιση ενσωματωμένου DOS" #~ msgid "tab_IR_Raman" #~ msgstr "καρτέλα IR Ράμαν" #~ msgid "&Y Axis Units:" #~ msgstr "Μονάδες άξονα &Υ:" #~ msgid "Scaling Type:" #~ msgstr "Τύπος κλιμάκωσης:" #~ msgid "Relative" #~ msgstr "Σχετικός" #~ msgid "Laser Wavenumber:" #~ msgstr "Κυματαριθμός λέιζερ" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "καρτέλα NMR" #~ msgid "Nucleus:" #~ msgstr "Πυρήνας:" #~ msgid "Gaussian &Width:" #~ msgstr "&Πλάτος Γκάους:" #~ msgid "Reset &Plot Axes" #~ msgstr "Επαναφορά αξόνων &σχεδίου" #~ msgid "Label Peaks:" #~ msgstr "Κορυφές ετικέτας:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Μοριακές δονήσεις" #~ msgid "Filter: " #~ msgstr "Φίλτρο: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Ενεργότητα (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Ε&μφάνιση φασμάτων..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "δονήσεις μεγαλύτερης συχνότητας θα εμφανίσουν γρηγορότερη κίνηση" #~ msgid "Animation speed set by frequency" #~ msgstr "Η ταχύτητα κίνησης ορίστηκε από τη συχνότητα" #~ msgid "Display force &vectors" #~ msgstr "Εμφάνιση &διανυσμάτων δύναμης" #~ msgid "&Normalize displacements" #~ msgstr "&Κανονικοποίηση μετατοπίσεων" #~ msgid "&Recalculate All" #~ msgstr "Επα&νυπολογισμός όλων" #~ msgid "Default &Quality:" #~ msgstr "Προεπιλεγμένη &ποιότητα:" #~ msgid "Show occupied orbitals first" #~ msgstr "Εμφάνιση πρώτα κατειλημμένων τροχιακών" #~ msgid "Limit orbital precalculations to " #~ msgstr "Να περιορίζονται οι προϋπολογισμοί τροχιακού σε " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "τροχιακά γύρω από HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Τύπος επιφάνειας:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Χαμηλή" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Μεσαία" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Υψηλή" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Πολύ υψηλή" #~ msgid "Isosurface cutoff value" #~ msgstr "Τιμή αποκοπής ισοεπιφάνειας" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Προσθήκη στον τύπο εμφάνισης:" #~ msgid "New Display" #~ msgstr "Νέα εμφάνιση" #~ msgid "Advanced..." #~ msgstr "Για Προχωρημένους..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Μήκος:" #~ msgid "Uni&t:" #~ msgstr "Μ&ονάδα:" #~ msgid "periodic units" #~ msgstr "περιοδικές μονάδες" #~ msgid "angstrom" #~ msgstr "ανγκστρομ" #~ msgid "bohr radii" #~ msgstr "ακτίνες μπορ" #~ msgid "nanometers" #~ msgstr "νανόμετρα" #~ msgid "&Cap with hydrogen" #~ msgstr "Ά&κρο με υδρογόνο" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Αυτό μπορεί να πάρει κάμποσο. Αν μόνο οι ατομικές συντεταγμένες\n" #~ "απαιτούνται (ας πούμε, για έναν κβαντομηχανικό υπολογισμό),\n" #~ "μια απεικόνιση με μόνο έναν απλό δεσμό πρέπει να αρκεί." #~ msgid "Find &double bonds" #~ msgstr "Εύρεση &διπλών δεσμών" #~ msgid "Display visual cues" #~ msgstr "Εμφάνιση οπτικών ενδείξεων" #~ msgid "Python Settings" #~ msgstr "Ρυθμίσεις Python" #~ msgid "Z Matrix Editor" #~ msgstr "Επεξεργαστής μητρώου Z" OpenChemistry-avogadrolibs-ceb949f/i18n/en_AU.po000066400000000000000000014303131516317240700216050ustar00rootroot00000000000000# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same licence as the avogadro package. # My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. # matterhorn103 , 2023. # Eisuke Kawashima , 2024, 2026. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: English (Australia) \n" "Language: en_AU\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "No message specified." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continue" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Close" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Unknown" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[1] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "The input files cannot be written:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No program selected." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxygen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluorine" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicon" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulphur" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlorine" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chromium" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Iron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Copper" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromine" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdenum" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimony" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodine" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Caesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthanum" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercury" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Lead" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatine" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Browse" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "handlers" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "handle" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "readers" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "read" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "writers" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "write" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "All files" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "All supported formats" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Warning" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Error" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' is not a string for option '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Title" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Filename Base" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memory" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Theory" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvent" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Model" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "User Name" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Password" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[no molecule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Layer %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Close Contacts" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-Covalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Reference Axes" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Untitled" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Edit molecule" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Not saved" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodic Table" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Package mode requires pixi but it was not found." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Script failed to start." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Script crashed." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Script timed out." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Read error." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Write error." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Change Layer" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Add Atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Change Elements" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Change Element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Change Atom Color" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Change Residue Color" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Add Bond" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Update Bond" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Add Unit Cell…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Remove Unit Cell" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Change Atom Position" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Change Atom Label" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Change Bond Label" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modify Molecule" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Settings" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Calculating…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Less than a second remaining" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Change Elements…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Build" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchemy" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Change elements of atoms." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Align" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Center the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Input" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Please specify PDB file" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Generated %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Error running PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Input (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Input file written to '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Cannot save file %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "By Atomic Index…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "By Distance…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Apply Index Colors" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Apply Charge Colors" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Apply Distance Colors" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Reset Atom Colors" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Apply Custom Color" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Apply Custom Residue Color" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Reset Residue Colors" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Apply Secondary Structure Colors" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Apply Amino Acid Colors" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Apply Shapely Colors" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ApplyColours" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Auto Optimize" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimize" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dynamics" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Task:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Timestep:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimize Geometry" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molecular Dynamics" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Auto Optimize tool" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Interactive optimization of molecular geometry" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bond scale" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacity" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bonding" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Add centroids and centre-of-mass." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsive" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Render close contacts between atoms." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error reading output file '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Command scripts" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Run external script commands" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python Settings…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Install Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python is used for many Avogadro features. Do you want to download Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configure Python environments." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Other…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Constraints…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calculate" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Constraints" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Set constraints for geometry optimizations" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distance" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Torsion Angle" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Freeze Atom" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Freeze X Axis" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Freeze Y Axis" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Freeze Z Axis" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Type" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Value" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copy" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Cut" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Delete" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Output format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Reader error:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Detected format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generate input for CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Import Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Import Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:178 #, fuzzy msgid "Color axes:" msgstr "Colour axes:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "No unit cell present." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Unit Cell Editor" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignoring singular cell matrix" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignoring singular fractional cell matrix" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Custom Elements" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipole Moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Render the dipole moment of the molecule." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Editor tool" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Single" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Chemical structure to download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Invalid PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "The PDB code must be exactly 4 characters long." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "The first character of the PDB code must be 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Network Download Failed" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Network timeout or other error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Freeze X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Freeze Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Freeze Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fuse Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Unfuse Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "No atoms provided for optimization" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energy: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Force Norm = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Options…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Invalid Model Options" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Could not parse user options for model '%1'." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Options" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetect (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Transition State" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequencies" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Make EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Core Potential" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "None" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptide…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Insert Peptide" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "InsertPeptide" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Insert oligopeptide sequences." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Distance from center:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Label scale:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Unique ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Element & Number" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Element & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partial Charge" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atom Label:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Length" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Bond Label:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Name & ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacity:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "No coordinates found!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Unable to generate 3D coordinates." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Measure tool" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(pending)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Property" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molecule Name" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molecular Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoisotopic Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Chemical Formula" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Number of Atoms" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Number of Bonds" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Coordinate Sets" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Number of Residues" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Number of Chains" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Net Charge" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Net Spin Multiplicity" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipole Moment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Total Energy (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Zero Point Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropy (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs Free Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Point Group" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analyze" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Properties" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molecule Properties" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Files (*.csv);;All Files (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Could not open the file for writing." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Error writing to the file." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotate the scene along the x, y, or z axes." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Zoom the scene." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Translate the scene." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigate tool" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Chalcogen" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Render a few non-covalent interactions." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Conformer Search…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 not found! Disabling Open Babel plugin actions." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "An error occurred while retrieving the list of supported force fields. " "(using '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Generating…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molecule invalid. Cannot generate conformers." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Cannot generate conformers with Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Generating Conformers (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generate Conformers" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Already running Open Babel. Wait for the other operation to complete and try " "again." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Render reference axes in the corner of the display." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Manage Plugins…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Package Installer" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Install, update, and remove Avogadro packages." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Error downloading plugin list: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Error: empty response from server." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Error fetching README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nothing Selected" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Check the box next to a plugin to install or update it." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (requires %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Version Incompatibility" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "No Download Available" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Failed to follow redirect while downloading %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Failed to download from %1: status %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Failed to download from %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Downloading %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Extracting %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extraction complete (%1 files)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Error: could not move extracted package %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Extraction error: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Extraction yielded no files.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Installation complete.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nothing to Remove" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Check the box next to an installed plugin to remove it." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Remove Plugins" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Keep Files" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Delete Files" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Select Plugin Directory" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Invalid Directory" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "The selected directory does not contain a pyproject.toml file." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Plugin already installed as symlink: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Created symlink: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "Symlink creation failed; copying files instead…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Failed to copy package to %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Installing plugin from %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Not installed" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Installed (up to date)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Update available" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Installed locally (not in online catalog)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Requires Avogadro %1 or later (running %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Feature icons:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Version" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Features" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Description" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Electrostatics" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Energy Models" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "File Formats" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Input Generator" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Commands" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERROR: could not open zip file to list contents.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERROR: could not open zip file to extract files.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Warning: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Animation Tool\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Start:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "End:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dynamic bonding?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Play" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Record…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pause" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Play back trajectories" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Plot Conformer Data…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Conformer Analysis" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Plot Type:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Velocities" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Energy Units:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "to" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Relative Energy (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Forces (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Velocities (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "PlotConformer" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Generate and plot conformer data (RMSD or energy)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Error downloading plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Error parsing plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Always" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Never" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Failed to download from %1: status code %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Error while extracting: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Installation canceled\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Save File" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Click to change color" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Partial Charge" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Label" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotope" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energy (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Conformer Properties…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tables for displaying and editing atom, bond, angle and torsion properties." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atom Properties" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bond Properties" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Angle Properties" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Torsion Properties" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Residue Properties" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Partial Charge Type" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Select the partial charge type:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Change Charge Type…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Freeze Atom" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Freeze X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Freeze Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Freeze Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Unfreeze Atom" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Constrain Bond" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Constrain Angle" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Constrain Torsion" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Remove Constraint" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Cannot read file %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Failed to create a temporary file." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centre" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Select Water" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Select Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Select Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Select Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Select Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residues to Select:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Select" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Fill Translation Cell…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Fill all atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Perceive Space Group" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triclinic" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoclinic" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Orthorhombic" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Rhombohedral" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Cubic" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Primitive Cell Detected" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Failed to conventionalize the cell." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Crystal System" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:29 #, fuzzy msgid "Plot Spectra…" msgstr "Plot Spectra…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spectra" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Display spectra plots." #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infrared" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Vibrational CD" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Magnetic CD" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Density of States" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Select Background Colour" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Select Foreground Colour" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Select Calculated Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Select Raw Spectra Color" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Select Imported Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Wavelength (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frequency (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 #, fuzzy msgid "Vibrational Spectra" msgstr "Vibrational Spectra" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Wavenumbers (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Raman Spectra" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intensity" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Vibrational Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Magnetic Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR Spectra" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Chemical Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Electronic Spectra" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energy (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Circular Dichroism Spectra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Density" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Smoothed" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Raw" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Imported" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Import Data" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV Files (*.csv);;TSV Files (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Surface" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Style:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Render molecular surfaces." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molecular Orbitals…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Orbital Window" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Display orbital lists." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symmetry" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Occupation" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molecular Orbitals" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molecular Orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "From File" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cube %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Surface Finished" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Couldn't find the active render widget, failing." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Symmetry…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Template tool" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simple display of VdW spheres." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Start Animation" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Stop Animation" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Vibrational Modes…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Show the vibrational modes dialog." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Set the vibrational mode." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Set the vibrational amplitude." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Start the vibrational animation." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Stop the vibrational animation." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Display vibrational modes." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop execution failed with the following error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-space" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Show a system popup notification when the job's status " "changes.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Rename Elements" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insert Fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insert" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimum Distance:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Environment name:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environment:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Add Constraints" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Atom Indices:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Value:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Add" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Options" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Get Constraint" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Delete Selected" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Delete All" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Help…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Clear" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset All" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Defaults" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Save File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basic Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Title:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculate:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cell Options" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TextLabel" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bond Order:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "CONV THRESH" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicity:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Peptide Builder" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartic acid" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cysteine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutamic acid" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tyrosine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proline" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenylalanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Amino Acids:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequence (N to C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochemistry:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Structure:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Straight Chain" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β Sheet" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Chain Number:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "The chain number for the new peptide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Use Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Center of Molecule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Center of Selection" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Move:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Selected Atoms" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Everything Else" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Conformer Search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Method" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Number of conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetic algorithm search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimization per conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetic Algorithm Options" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "number of children for each parent geometry" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Children:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutation frequency (lower = more frequent mutations)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutability:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "number of identical generations before convergence is reached" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Convergence:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Scoring method:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Total Energy" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Search plugins…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Install from Directory…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Remove Selected" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Install / Update Selected" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

The max 2theta value in degrees.

Default: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

The wavelength of the x-ray in Ångstroms.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

The number of 2theta points to generate.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Max 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spectra Visualization" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Scale Factor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) #, fuzzy msgid "X-Axis Minimum:" msgstr "X-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Offset:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) #, fuzzy msgid "Y-Axis Minimum:" msgstr "Y-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peak Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Peak Threshold:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Units:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Appearance" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Set Color…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Imported Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Font Size:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Line Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Show" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Imports a tsv of experimental spectra to overlay on the plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Import…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Background:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Calculated Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Raw Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Export…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Close" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Load data…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Quality: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Very Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Very High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Render" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configure" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Electrostatic Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Record Movie…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Group:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "ethylene" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "ethyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phenyl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibrational Modes" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density-of-states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

The Fermi Level

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Limit the y-range in the plot?

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo " "Fredz,Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff " "Hutchison,Gothmog,Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio " "Castillo A.,cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff " "Hutchison,Jen Ockwell,Marcus D. Hanwell,kuede, ,Launchpad " "Contributions:,Avogadro Team, ,Launchpad Contributions:,Avogadro Team,Brian " "Burns,Geoff Hutchison,Marcus D. Hanwell, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian " "Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Andi Chandler,Anthony " "Harrington,Avogadro Team,Brian Burns,Chris Woollard,Geoff Hutchison,Ken " "Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Andi " "Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com,patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail.com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,,jenfraggleubuntu@googlemail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Option '%1' does not refer to an object." #, qt-format #~ msgid "Tab %1" #~ msgstr "Tab %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Error: value must be object for key '%1'." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Edit Colour Opacity Map…" #~ msgid "ColorOpacityMap" #~ msgstr "ColourOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "Edit colour opacity maps, primarily for volume rendering." #~ msgid "Volume Rendering" #~ msgstr "Volume Rendering" #~ msgid "Cube" #~ msgstr "Cube" #~ msgid "Enable volume rendering" #~ msgstr "Enable volume rendering" #~ msgid "Enable surface rendering" #~ msgstr "Enable surface rendering" #~ msgid "Isovalue" #~ msgstr "Isovalue" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Error retrieving metadata for energy script: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Error parsing metadata for energy script: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Cannot load script %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Checking for %1 scripts in path %2" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Angles:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #, qt-format #~ msgctxt "argument is program name" #~ msgid "Installing dependencies with %1…" #~ msgstr "Installing dependencies with %1…" #~ msgid "Cancel" #~ msgstr "Cancel" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pending)" #~ msgid "unknown molecule" #~ msgstr "unknown molecule" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Reference Axes Overlay" #~ msgid "Meshes" #~ msgstr "Meshes" #~ msgid "Plot RMSD curve…" #~ msgstr "Plot RMSD curve…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generate and plot an RMSD curve." #~ msgid "Max 2*theta:" #~ msgstr "Max 2*theta:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tables for displaying and editng atom, bond, angle, and torsion " #~ "properties." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centred at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCentre the atom at the origin." #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Render polygon meshes." #~ msgid "&Analysis" #~ msgstr "&Analysis" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Import..." #~ msgid "Set Color..." #~ msgstr "Set Colour..." #~ msgid "&Export..." #~ msgstr "&Export..." #~ msgid "&Load data..." #~ msgstr "&Load data..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partial Charge" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "Animation Tool" #~ msgstr "Animation Tool" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simple display of VdW spheres with ambient occlusion." #~ msgid "Geometry" #~ msgstr "Geometry" #~ msgid "Add Unit Cell" #~ msgstr "Add &Unit Cell" #~ msgid "By Atomic Index" #~ msgstr "By Atomic Index" #~ msgid "By Distance" #~ msgstr "By Distance" #~ msgid "Select Water…" #~ msgstr "Select Water…" #~ msgid "&Copy" #~ msgstr "&Copy" #~ msgid "Molecule Name:" #~ msgstr "Molecule Name:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecular Mass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemical Formula:" #~ msgid "Number of Atoms:" #~ msgstr "Number of Atoms:" #~ msgid "Number of Bonds:" #~ msgstr "Number of Bonds:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Line width:" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Input (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Select the Python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgid "Set Python Path…" #~ msgstr "Set Python Path…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #~ msgid "Functional Groups" #~ msgstr "Functional Groups" #~ msgid "Help..." #~ msgstr "Help..." #~ msgid "Submit Calculation..." #~ msgstr "Submit Calculation..." #~ msgid "Save File..." #~ msgstr "Save File..." #~ msgid "Download Plugins..." #~ msgstr "Download Plugins..." #~ msgid "Record Movie..." #~ msgstr "Record Movie..." #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgid "Other..." #~ msgstr "Other..." #~ msgid "Connection failed" #~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" #~ msgstr "Filename:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigate" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigate" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element name" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "All files" #, fuzzy #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No molecule set" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Add Hydrogens for pH..." #~ msgid "Atom Properties..." #~ msgstr "Atom Properties..." #~ msgid "Bond Properties..." #~ msgstr "Bond Properties..." #~ msgid "Angle Properties..." #~ msgstr "Angle Properties..." #~ msgid "Torsion Properties..." #~ msgstr "Torsion Properties..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Properties..." #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetry" #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." #~ msgid "Theory:" #~ msgstr "Theory:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotatable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Length %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energy (kJ/mol)" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Insert SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Symmetry Properties..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Add Hydrogens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colour by Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colour by Index (red, orange, yellow, green, blue, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colour by Partial Charge" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Colour by atomic partial charge (blue = positive, red = negative." #~ msgid "Custom Color:" #~ msgstr "Custom Colour:" #~ msgid "Set custom colors for objects" #~ msgstr "Set custom colours for objects" #~ msgid "Color by Distance" #~ msgstr "Colour by Distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." #~ msgid "Color by Element" #~ msgstr "Colour by Element" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colour by Residue (amino acid type, hydrophobicity, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" #~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Highlight particular features which match a SMARTS pattern." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Renders the x, y and z axes at the origin" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgid "Dipole" #~ msgstr "Dipole" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" #~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" #~ msgid "Select Bond Labels Font" #~ msgstr "Select Bond Labels Font" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renders protein backbones as ribbons" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Renders rings with coloured planes" #~ msgid "Simple Wireframe" #~ msgstr "Simple Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renders bonds as wires (lines), ideal for large molecules" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Spheres" #~ msgid "Stick" #~ msgstr "Stick" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Electron density, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgid "Trajectory files" #~ msgstr "Trajectory files" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY files" #~ msgid "Open Trajectory File" #~ msgstr "Open Trajectory File" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adding .avi extension" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Cannot read file format of file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Read trajectory file %1 failed." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Could not determine format from filename: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Cartesian Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesian Editor..." #~ msgid "Cartesian editor" #~ msgstr "Cartesian editor" #~ msgid "Number of atoms: %1" #~ msgstr "Number of atoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Number of rotatable bonds: %1" #~ msgid "Add constraint" #~ msgstr "Add constraint" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Your molecule must contain at least one atom to add a constraint" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgid "&Crystallography" #~ msgstr "&Crystallography" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "&Length Unit" #~ msgstr "&Length Unit" #~ msgid "&Angle Unit" #~ msgstr "&Angle Unit" #~ msgid "&Coordinate Display" #~ msgstr "&Coordinate Display" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinate &Preservation" #~ msgid "&Matrix Display" #~ msgstr "&Matrix Display" #~ msgid "Hide &Editors" #~ msgstr "Hide &Editors" #~ msgid "Show &Editors" #~ msgstr "Show &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Hide &Property Display" #~ msgid "Show &Property Display" #~ msgstr "Show &Property Display" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Space group: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefined" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubic" #~ msgid "Paste Crystal" #~ msgstr "Paste Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reduction failed. The input structure's lattice is confusing the " #~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " #~ "orders of magnitude smaller than the tolerance) to the input lattices and " #~ "try again." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotate To Standard &Orientation" #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Perceive Space&group..." #~ msgstr "Perceive Space &group..." #~ msgid "Set &Spacegroup..." #~ msgstr "Set &Space group..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Unit Cell" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Fill the unit cell using current space group." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduce to &Asymmetric Unit" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&mmetrise Crystal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduce Cell (&Primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Picometre" #~ msgid "&Degree" #~ msgstr "&Degree" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Display &cartesian coordinates" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preserve &Fractional Coordinates During Cell Modification" #~ msgid "Display &cartesian matrix" #~ msgstr "Display &cartesian matrix" #~ msgid "Display &fractional matrix" #~ msgstr "Display &fractional matrix" #~ msgid "Display as &row vectors" #~ msgstr "Display as &row vectors" #~ msgid "Display as &column vectors" #~ msgstr "Display as &column vectors" #~ msgid "&Crystal View Options..." #~ msgstr "&Crystal View Options..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrised into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgid "Set Spacegroup" #~ msgstr "Set Space group" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "There is not a space group set for this document.\n" #~ "\n" #~ "Would you like to set a space group now?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Space group P1 detected -- cannot symmetrise to this space group.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symmetrise Crystal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Wrap Atoms To Cell" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduce to Niggli Cell" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Select tolerance in current cartesian units:" #~ msgid "Crystallography" #~ msgstr "Crystallography" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construct and analyse periodic structures." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Format\n" #~ msgid "Bad Compostion" #~ msgstr "Bad Compostion" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Cartesian Coordinates" #~ msgid "Fractional Coordinates" #~ msgstr "Fractional Coordinates" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Cell Matrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Set Unit Cell Matrix" #~ msgid "Set Unit Cell Params" #~ msgstr "Set Unit Cell Params" #~ msgid "Working..." #~ msgstr "Working..." #~ msgid "Build" #~ msgstr "Build" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cut Slab From Crystal" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Please select one or more atoms." #~ msgid "Trajectory..." #~ msgstr "Trajectory..." #~ msgid "Open chemical file format" #~ msgstr "Open chemical file format" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Open parameter file" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajectory" #~ msgid "Import trajectory files" #~ msgstr "Import trajectory files" #~ msgid "Calculate Energy" #~ msgstr "Calculate Energy" #~ msgid "Conformer Search..." #~ msgstr "Conformer Search..." #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgid "Geometric Optimization" #~ msgstr "Geometric Optimization" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "Genetic Algorithm Search" #~ msgstr "Genetic Algorithm Search" #~ msgid "ForceField" #~ msgstr "ForceField" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." #~ msgstr "&Vector Graphics..." #~ msgid "Common vector image formats" #~ msgstr "Common vector image formats" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vector graphics export" #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" #~ msgid "H to Methyl" #~ msgstr "H to Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transform hydrogens to methyl groups" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insert DNA/RNA chains" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" #~ msgid "Invert Chirality" #~ msgstr "Invert Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Invert chiral centres" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "unknown" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Display standard molecular properties." #~ msgid "Fetch by chemical name..." #~ msgstr "Fetch by chemical name..." #~ msgid "Fetch from URL..." #~ msgstr "Fetch from URL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry to download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL of molecule to download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Specified molecule could not be loaded: %1" #~ msgid "Network Fetch" #~ msgstr "Network Fetch" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." #~ msgid "OrcaExtension Warning" #~ msgstr "OrcaExtension Warning" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " No vibration data found!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Selected displacement data doesn't fit to the actual molecule!" #~ msgid "extended Geometry File" #~ msgstr "extended Geometry File" #~ msgid "Read Orca Outputfile" #~ msgstr "Read Orca Outputfile" #~ msgid "no file found" #~ msgstr "no file found" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Somethings wrong in the file structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Somethings wrong in the file structure - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Something is wrong in the IR output! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Something is wrong in the raman output! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Something is wrong in the orbital energy output! " #~ msgid "No geometry found in file!" #~ msgstr "No geometry found in file!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgid "Could not read file!" #~ msgstr "Could not read file!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyse Orca Output..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Example" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Provides a dialogue box with the words \"H...\"." #~ msgid "ORCA Input Deck" #~ msgstr "ORCA Input Deck" #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "RijCosX option not available for the selected DFT functional!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::No vibration data found!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Image files (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No valid filename was supplied." #~ msgid "Does not compute." #~ msgstr "Does not compute." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray failed to start." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgid "Conformer Properties..." #~ msgstr "Conformer Properties..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Abinit Running." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Not Installed." #~ msgid "The abinit executable cannot be found." #~ msgstr "The abinit executable cannot be found." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit did not start. Perhaps it is not installed correctly." #~ msgid "Running Abinit calculation..." #~ msgstr "Running Abinit calculation..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selection..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selection..." #~ msgid "You must make a selection!" #~ msgstr "You must make a selection!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversion Unavailable" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format Conversion Not Available!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" #~ msgid "Advanced Settings Changed" #~ msgstr "Advanced Settings Changed" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advanced Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgid "Basic Settings Reset" #~ msgstr "Basic Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Deck" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Running." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." #~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Deck Generator Warning" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Input Deck" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Input Deck" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC is already running. Wait until the previous calculation has " #~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC failed to start." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." #~ msgid "Running MOPAC calculation..." #~ msgstr "Running MOPAC calculation..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Crashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem Input Deck" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Input Deck" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Deck" #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Add Named Selection..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selection" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS pattern to select" #~ msgid "There is no current selection." #~ msgstr "There is no current selection." #~ msgid "Add Named Selection" #~ msgstr "Add Named Selection" #~ msgid "Name cannot be empty." #~ msgstr "Name cannot be empty." #~ msgid "There is already a selection with this name." #~ msgstr "There is already a selection with this name." #~ msgid "Selections" #~ msgstr "Selections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Select atoms, bonds, residues..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open a vertex shader source file" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader files (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open a fragment shader source file" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader files (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters file" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters files (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Load and use OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensity (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Density of States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Density of States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Density of States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "No intensities" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualisation." #~ msgid "Activity" #~ msgstr "Activity" #~ msgid "X Axis" #~ msgstr "X Axis" #~ msgid "Y Axis" #~ msgstr "Y Axis" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrared Spectra Settings" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra Settings" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV Settings" #~ msgid "&CD Settings" #~ msgstr "&CD Settings" #~ msgid "&Raman Settings" #~ msgstr "&Raman Settings" #~ msgid "No data" #~ msgstr "No data" #~ msgid "Dark" #~ msgstr "Dark" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Handdrawn" #~ msgid "New Scheme" #~ msgstr "New Scheme" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirm Scheme Removal" #~ msgid "Really remove current scheme?" #~ msgstr "Really remove current scheme?" #~ msgid "Change Scheme Name" #~ msgstr "Change Scheme Name" #~ msgid "Enter new name for current scheme:" #~ msgstr "Enter new name for current scheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spectra Import" #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Data Format" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Load Spectral Data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD file is improperly formatted : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" #~ msgid "Image successfully written to %1" #~ msgstr "Image successfully written to %1" #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" #~ msgid "&Advanced >>" #~ msgstr "&Advanced >>" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrational Analysis" #~ msgid "No vibrational displacements exist." #~ msgstr "No vibrational displacements exist." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." #~ msgid "Super Cell Builder..." #~ msgstr "Super Cell Builder..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" #~ msgid "Molecular Orbitals..." #~ msgstr "Molecular Orbitals..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Electron Density" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculating VdW Cube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculating MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Electrostatic potential surfaces are not yet supported." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculate molecular orbitals and other surfaces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanotube Builder..." #~ msgid "Nanotube Builder" #~ msgstr "Nanotube Builder" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Invalid Nanotube Specification" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgid "Insert Nanotube" #~ msgstr "Insert Nanotube" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Builder" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construct single wall carbon nanotubes." #~ msgid "Building..." #~ msgstr "Building..." #~ msgid "Display point group symmetry." #~ msgstr "Display point group symmetry." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" #~ msgid "Building video " #~ msgstr "Building video " #~ msgid "Could not run mencoder." #~ msgstr "Could not run mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Save VRML rendered files" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connect" #~ msgid "Disconnect" #~ msgstr "Disconnect" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion using Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgid "Debug Information" #~ msgstr "Debug Information" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "File type '%1' is not supported for reading." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "File type for file '%1' is not supported for reading." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Reading molecule with index %1 from file '%2' failed." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "File type '%1' is not supported for writing." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "File type for file '%1' is not supported for writing." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Could not open file '%1' for reading." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Replacing molecule with index %1 in file '%2' failed." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "File %1 cannot be opened for reading." #~ msgid "File %1 can not be opened for writing." #~ msgstr "File %1 can not be opened for writing." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Saving molecular file failed - could not rename original file." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Saving molecular file failed - could not rename new file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Saving molecular file failed - could not remove old file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "File %1 cannot be opened for writing." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Writing conformers to file '%1' failed." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script has no 'Engine' class defined" #~ msgid " - no module" #~ msgstr " - no module" #~ msgid "Unknown Python Extension" #~ msgstr "Unknown Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checking " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script has no 'Extension' class defined" #~ msgid "Unknown Python Tool" #~ msgstr "Unknown Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" #~ msgid "Conformer %1" #~ msgstr "Conformer %1" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Align:" #~ msgid "Everything" #~ msgstr "Everything" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Auto Optimisation Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Steps per Update:" #~ msgid "Algorithm:" #~ msgstr "Algorithm:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molecular Dynamics (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molecular Dynamics (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fixed atoms are movable" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignored atoms are movable" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "x rotation" #~ msgstr "x rotation" #~ msgid "y rotation:" #~ msgstr "y rotation:" #~ msgid "y rotation" #~ msgstr "y rotation" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatic rotation of molecules" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotate Settings" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bond Length: %L1" #~ msgid " Show Angles" #~ msgstr " Show Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Snap-to Threshold: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bond Centric Manipulate" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation of bond lengths, angles, and torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Bond Centric Manipulate Settings" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Angle: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Measure bond lengths, angles, and dihedrals" #~ msgid "Draw Bond" #~ msgstr "Draw Bond" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Draw and edit atoms and bonds" #~ msgid "Draw Settings" #~ msgstr "Draw Settings" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translate, rotate, and adjust atoms and fragments" #~ msgid "Manipulate Settings" #~ msgstr "Manipulate Settings" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translate, rotate, and zoom around the current view" #~ msgid "Navigate Settings" #~ msgstr "Navigate Settings" #~ msgid "Selection Mode:" #~ msgstr "Selection Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Residue" #~ msgid "Add Center of Atoms" #~ msgstr "Add Centre of Atoms" #~ msgid "Change color of the atom" #~ msgstr "Change colour of the atom" #~ msgid "Change label of the atom" #~ msgstr "Change label of the atom" #~ msgid "Change label of the bond" #~ msgstr "Change label of the bond" #~ msgid "Change radius of the atom" #~ msgstr "Change radius of the atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "New Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bond Length" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Angle" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Create/edit a z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Settings" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" #~ msgid "Amino Colors" #~ msgstr "Amino Colours" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" #~ msgid "Axes:" #~ msgstr "Axes:" #~ msgid "Cartesian Axes" #~ msgstr "Cartesian Axes" #~ msgid "Orthogonal Axes" #~ msgstr "Orthogonal Axes" #~ msgid "Axis 1:" #~ msgstr "Axis 1:" #~ msgid "Axis 2:" #~ msgstr "Axis 2:" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" #~ msgid "Origin:" #~ msgstr "Origin:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Preserve vector norms" #~ msgid "Atom Radius:" #~ msgstr "Atom Radius:" #~ msgid "Bond Radius:" #~ msgstr "Bond Radius:" #~ msgid "Shape" #~ msgstr "Shape" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Dipole:" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" #~ msgid "Custom:" #~ msgstr "Custom:" #~ msgid "Width:" #~ msgstr "Width:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off angle:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering Engine:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & Number in Group" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" #~ msgid "Partial charge" #~ msgstr "Partial charge" #~ msgid "Residue number" #~ msgstr "Residue number" #~ msgid "Custom data" #~ msgstr "Custom data" #~ msgid "Change Font" #~ msgstr "Change Font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Bond length" #~ msgid "Bond number" #~ msgstr "Bond number" #~ msgid "Bond order" #~ msgstr "Bond order" #~ msgid "Lines" #~ msgstr "Lines" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opacity:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Fill" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" #~ msgid "Positive" #~ msgstr "Positive" #~ msgid "Negative" #~ msgstr "Negative" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "Animate Trajectory" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractional" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Input #2" #~ msgid "Priroda Input" #~ msgstr "Priroda Input" #~ msgid "Apply Changes" #~ msgstr "Apply Changes" #~ msgid "Cut All" #~ msgstr "Cut All" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgid "(None)" #~ msgstr "(None)" #~ msgid "Sort by " #~ msgstr "Sort by " #~ msgid "Number of atoms:" #~ msgstr "Number of atoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Number of rotatable bonds:" #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torsion angle" #~ msgid "Save" #~ msgstr "Save" #~ msgid "Load" #~ msgstr "Load" #~ msgid "Atomic &identites:" #~ msgstr "Atomic &identites:" #~ msgid "Surface Slab Builder" #~ msgstr "Surface Slab Builder" #~ msgid "Plane:" #~ msgstr "Plane:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller Indices:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Warning: Use non-zero Miller Indices" #~ msgid "Width (x)" #~ msgstr "Width (x)" #~ msgid "Width (y)" #~ msgstr "Width (y)" #~ msgid "Height (z)" #~ msgstr "Height (z)" #~ msgid "length" #~ msgstr "length" #~ msgid "cell repeats" #~ msgstr "cell repeats" #~ msgid "&Translate " #~ msgstr "&Translate " #~ msgid "by arbitrary vector" #~ msgstr "by arbitrary vector" #~ msgid "selected atom to unit cell center" #~ msgstr "selected atom to unit cell centre" #~ msgid "Translation vector:" #~ msgstr "Translation vector:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vector units:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "&Translate" #~ msgid "Crystal View Options" #~ msgstr "Crystal View Options" #~ msgid "Unit Cell Repeats:" #~ msgstr "Unit Cell Repeats:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Draw Unit Cell(s)?" #~ msgid "One" #~ msgstr "One" #~ msgid "All" #~ msgstr "All" #~ msgid "Color..." #~ msgstr "Colour..." #~ msgid "View Along:" #~ msgstr "View Along:" #~ msgid "Default View" #~ msgstr "Default View" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indices" #~ msgid "File Import..." #~ msgstr "File Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Attempt to perceive bonds?" #~ msgid "Setup Force Field" #~ msgstr "Setup Force Field" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Number of steps" #~ msgid "Algorithm" #~ msgstr "Algorithm" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energy (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" #~ msgid "select Fragment" #~ msgstr "select Fragment" #~ msgid "Basic" #~ msgstr "Basic" #~ msgid "Comment" #~ msgstr "Comment" #~ msgid "Frequency" #~ msgstr "Frequency" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "z-Matrix" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrix compact" #~ msgid "Advanced" #~ msgstr "Advanced" #~ msgid "Basis Set" #~ msgstr "Basis Set" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Aux. Basis Set" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "Relativistic" #~ msgstr "Relativistic" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Order" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Corr. Aux. Basis Set" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "Run type" #~ msgstr "Run type" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Basis Sets" #~ msgid "Printlevel" #~ msgstr "Printlevel" #~ msgid "Small" #~ msgstr "Small" #~ msgid "Large" #~ msgstr "Large" #~ msgid "Damping" #~ msgstr "Damping" #~ msgid "Factor" #~ msgstr "Factor" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

select only if no defaults are wanted

" #~ msgid "Accuracy" #~ msgstr "Accuracy" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Levelshift " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "2nd Order" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "max. SCF iterations" #~ msgid "SCF Type" #~ msgstr "SCF Type" #~ msgid "restricted" #~ msgstr "restricted" #~ msgid "unrestricted" #~ msgstr "unrestricted" #~ msgid "restricted open-shell" #~ msgstr "restricted open-shell" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "FinalGrid" #~ msgstr "FinalGrid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Select..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Use full scene antialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Render the molecule directly using command line POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Keep the POV-Ray source after rendering has completed" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Keep POV-Ray source after rendering" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Abinit Input" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduced" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Plane Wave cutoff (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance on forces(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max lattice expansion:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-point shift:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Number of bands:" #~ msgid "# k-point shifts:" #~ msgstr "# k-point shifts:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Double grid PW cutoff (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Occupation scheme:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerance type:" #~ msgid "Wave Function norm" #~ msgstr "Wave Function norm" #~ msgid "Total Potential" #~ msgstr "Total Potential" #~ msgid "Relative Force" #~ msgstr "Relative Force" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing width (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - no moving ions " #~ msgid "1 - viscous damping" #~ msgstr "1 - viscous damping" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS with energy" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrical time steps:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Kinetic Energy smoothing (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Compute..." #~ msgid "Dalton Input" #~ msgstr "Dalton Input" #~ msgid "Basics" #~ msgstr "Basics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Basis Set:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "Diffuse functions" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid Specification" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitioning Scheme:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid Quality:" #~ msgid "coarse" #~ msgstr "coarse" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Radial Scheme:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Show all functionals" #~ msgid "Property:" #~ msgstr "Property:" #~ msgid "Polarizability" #~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" #~ msgid "No. excitations:" #~ msgstr "No. excitations:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Advanced Setup" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Default" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Saddle Point" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiative Transition mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbit" #~ msgid "Finite Electric Field" #~ msgstr "Finite Electric Field" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molecule Charge:" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "Coordinate Type:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Hours" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Weeks" #~ msgstr "Weeks" #~ msgid "Years" #~ msgstr "Years" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Loop" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Next Value" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Initial Guess:" #~ msgstr "Initial Guess:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "Skip" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotate Alpha and Beta Orbitals" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF Natural Orbitals" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN correlation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT Functional:" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "Compute MP2 Properties" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" #~ msgid "Transformation Method" #~ msgstr "Transformation Method" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "Displacement Size:" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequency Scale Factor:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK Input" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK input generated by Avogadro" #~ msgid "Transition State Search" #~ msgstr "Transition State Search" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgid "Run in direct mode:" #~ msgstr "Run in direct mode:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Input" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem Input" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unrestricted" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "yes" #~ msgid "Dispersion:" #~ msgstr "Dispersion:" #~ msgid "Load Shaders" #~ msgstr "Load Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assign Shader" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Font:" #~ msgstr "Font:" #~ msgid "Change Font..." #~ msgstr "Change Font..." #~ msgid "Foreground:" #~ msgstr "Foreground:" #~ msgid "New..." #~ msgstr "New..." #~ msgid "Rename..." #~ msgstr "Rename..." #~ msgid "&Schemes:" #~ msgstr "&Schemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Width:" #~ msgid "&Height" #~ msgstr "&Height" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Use an optimised value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-adjust F&ont Size" #~ msgid "Spectra Tab" #~ msgstr "Spectra Tab" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Width:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength type:" #~ msgid "Energy units:" #~ msgstr "Energy units:" #~ msgid "Density units" #~ msgstr "Density units" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energy: " #~ msgid "States / Cell" #~ msgstr "States / Cell" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Valence electron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energy at zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "Show integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Axis Units:" #~ msgid "Scaling Type:" #~ msgstr "Scaling Type:" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Axes" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Show Spectra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "higher frequency vibrations will show faster movement" #~ msgid "Animation speed set by frequency" #~ msgstr "Animation speed set by frequency" #~ msgid "Display force &vectors" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" #~ msgid "&Recalculate All" #~ msgstr "&Recalculate All" #~ msgid "Default &Quality:" #~ msgstr "Default &Quality:" #~ msgid "Show occupied orbitals first" #~ msgstr "Show occupied orbitals first" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limit orbital precalculations to " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitals around HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Surface Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Low" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "High" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Very High" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "New Display" #~ msgid "Advanced..." #~ msgstr "Advanced..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Length:" #~ msgid "Uni&t:" #~ msgstr "Uni&t:" #~ msgid "periodic units" #~ msgstr "periodic units" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr radii" #~ msgid "nanometers" #~ msgstr "nanometres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap with hydrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgid "Find &double bonds" #~ msgstr "Find &double bonds" #~ msgid "Molecular Symmetry" #~ msgstr "Molecular Symmetry" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Scale (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Smallest sphere (mm): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Thinnest cylinder (mm): " #~ msgid "Calculate Size..." #~ msgstr "Calculate Size..." #~ msgid "Display visual cues" #~ msgstr "Display visual cues" #~ msgid "Python Settings" #~ msgstr "Python Settings" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" OpenChemistry-avogadrolibs-ceb949f/i18n/en_CA.po000066400000000000000000014416751516317240700216000ustar00rootroot00000000000000# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same licence as the avogadro package. # My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. # matterhorn103 , 2023. # "Carson Geller (Cart)" , 2024. # Eisuke Kawashima , 2024, 2026. # btbt_bt , 2024, 2025. # Distant Prince , 2024. # Weblate Translation Memory , 2026. # Marcus Minhorst , 2026. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: English (Canada) \n" "Language: en_CA\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "No message specified." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continue" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Close" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Unknown" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "The following file has been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[1] "" "The following files have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "The input files cannot be written:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No program selected." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxygen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluorine" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicon" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulphur" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlorine" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chromium" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Iron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Copper" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromine" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdenum" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimony" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodine" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Caesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthanum" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercury" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Lead" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatine" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Browse" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "handlers" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "handle" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "readers" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "read" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "writers" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "write" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "All files" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "All supported formats" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Warning" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Error" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' is not a string for option '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Title" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Filename Base" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memory" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Theory" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvent" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Model" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "User Name" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Password" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[no molecule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Layer %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Close Contacts" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-Covalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Reference Axes" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Untitled" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Edit molecule" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Not saved" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodic Table" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Package mode requires pixi but it was not found." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Script failed to start." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Script crashed." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Script timed out." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Read error." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Write error." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Change Layer" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Add Atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Change Elements" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Change Element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Change Atom Colour" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Change Residue Color" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Add Bond" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Update Bond" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Add Unit Cell…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Remove Unit Cell" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "&Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Change Atom Position" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Change Atom Label" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Change Bond Label" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modify Molecule" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Settings" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Calculating…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Less than a second remaining" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n second remaining" msgstr[1] "%n seconds remaining" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n minute remaining" msgstr[1] "%n minutes remaining" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 hour %n minute remaining" msgstr[1] "1 hour %n minutes remaining" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n hour remaining" msgstr[1] "%n hours remaining" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Change Elements…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Build" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchemy" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Change elements of atoms." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Align" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centred at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCentre the atom at the origin." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centre the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Input" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Please specify PDB file" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Generated %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Error running PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Input (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Input file written to '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Cannot save file %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "By Atomic Index…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "By Distance…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Apply Index Colors" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Apply Charge Colors" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Apply Distance Colors" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Reset Atom Colors" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Apply Custom Color" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Apply Custom Residue Color" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Reset Residue Colors" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Apply Secondary Structure Colors" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Apply Amino Acid Colors" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Apply Shapely Colors" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ApplyColours" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Auto Optimize" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimize" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dynamics" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Task:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Timestep:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimize Geometry" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molecular Dynamics" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Auto Optimize tool" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Interactive optimization of molecular geometry" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bond scale" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacity" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bonding" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Add centroids and centre-of-mass." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsive" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Render close contacts between atoms." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error reading output file '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Command scripts" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Run external script commands" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python Settings…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Install Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python is used for many Avogadro features. Do you want to download Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configure Python environments." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Other…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Constraints…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calculate" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Constraints" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Set constraints for geometry optimizations" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distance" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Torsion Angle" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Freeze Atom" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Freeze X Axis" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Freeze Y Axis" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Freeze Z Axis" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Type" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Value" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copy" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Cut" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Delete" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Output format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Reader error:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Detected format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generate input for CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Import Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Import Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Colour axes:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "No unit cell present." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Unit Cell Editor" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignoring singular cell matrix" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignoring singular fractional cell matrix" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Custom Elements" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipole Moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Render the dipole moment of the molecule." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Editor tool" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Single" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Chemical structure to download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Invalid PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "The PDB code must be exactly 4 characters long." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "The first character of the PDB code must be 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Network Download Failed" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Network timeout or other error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Freeze X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Freeze Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Freeze Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fuse Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Unfuse Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "No atoms provided for optimization" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energy: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Force Norm = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Options…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Invalid Model Options" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Could not parse user options for model '%1'." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Options" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetect (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Transition State" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequencies" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Make EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Core Potential" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "None" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptide…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Insert Peptide" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "InsertPeptide" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Insert oligopeptide sequences." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Distance from centre:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Label scale:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Unique ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Element & Number" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Element & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partial Charge" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atom Label:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Length" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Bond Label:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Name & ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacity:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "No coordinates found!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Unable to generate 3D coordinates." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Measure tool" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(pending)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Property" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molecule Name" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molecular Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoisotopic Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Chemical Formula" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Number of Atoms" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Number of Bonds" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Coordinate Sets" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Number of Residues" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Number of Chains" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Net Charge" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Net Spin Multiplicity" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipole Moment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Total Energy (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Zero Point Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropy (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs Free Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Point Group" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analyze" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Properties" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molecule Properties" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Files (*.csv);;All Files (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Could not open the file for writing." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Error writing to the file." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotate the scene along the x, y, or z axes." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Zoom the scene." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Translate the scene." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigate tool" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Chalcogen" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Render a few non-covalent interactions." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Conformer Search…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 not found! Disabling Open Babel plugin actions." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "An error occurred while retrieving the list of supported force fields. " "(using '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Generating…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molecule invalid. Cannot generate conformers." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Cannot generate conformers with Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Generating Conformers (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generate Conformers" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Already running Open Babel. Wait for the other operation to complete and try " "again." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Render reference axes in the corner of the display." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Manage Plugins…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Package Installer" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Install, update, and remove Avogadro packages." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Error downloading plugin list: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Error: empty response from server." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Error fetching README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nothing Selected" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Check the box next to a plugin to install or update it." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (requires %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Version Incompatibility" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "No Download Available" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Failed to follow redirect while downloading %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Failed to download from %1: status %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Failed to download from %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Downloading %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Extracting %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extraction complete (%1 files)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Error: could not move extracted package %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Extraction error: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Extraction yielded no files.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Installation complete.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nothing to Remove" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Check the box next to an installed plugin to remove it." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Remove Plugins" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Keep Files" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Delete Files" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Select Plugin Directory" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Invalid Directory" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "The selected directory does not contain a pyproject.toml file." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Plugin already installed as symlink: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Created symlink: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "Symlink creation failed; copying files instead…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Failed to copy package to %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Installing plugin from %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Not installed" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Installed (up to date)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Update available" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Installed locally (not in online catalog)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Requires Avogadro %1 or later (running %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Feature icons:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Version" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Features" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Description" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Electrostatics" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Energy Models" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "File Formats" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Input Generator" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Commands" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERROR: could not open zip file to list contents.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERROR: could not open zip file to extract files.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Warning: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Animation Tool\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Start:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "End:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dynamic bonding?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Play" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Record…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pause" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Play back trajectories" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Plot Conformer Data…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Conformer Analysis" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Plot Type:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Velocities" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Energy Units:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "to" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Relative Energy (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Forces (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Velocities (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "PlotConformer" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Generate and plot conformer data (RMSD or energy)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Error downloading plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Error parsing plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Always" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Never" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Failed to download from %1: status code %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Error while extracting: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Installation canceled\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Save File" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Click to change color" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Partial Charge" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Label" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotope" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energy (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Conformer Properties…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tables for displaying and editing atom, bond, angle and torsion properties." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atom Properties" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bond Properties" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Angle Properties" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Torsion Properties" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Residue Properties" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Partial Charge Type" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Select the partial charge type:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Change Charge Type…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Freeze Atom" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Freeze X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Freeze Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Freeze Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Unfreeze Atom" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Constrain Bond" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Constrain Angle" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Constrain Torsion" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Remove Constraint" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Cannot read file %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Failed to create a temporary file." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centre" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Select Water" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Select Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Select Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Select Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Select Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residues to Select:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Select" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Fill Translation Cell…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Fill all atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Perceive Space Group" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triclinic" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoclinic" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Orthorhombic" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Rhombohedral" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Cubic" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Primitive Cell Detected" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centreed conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Failed to conventionalize the cell." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Crystal System" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Plot Spectra…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spectra" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Display spectra plots." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infrared" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Vibrational CD" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Magnetic CD" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Density of States" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Select Background Colour" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Select Foreground Colour" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Select Calculated Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Select Raw Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Select Imported Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Wavelength (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frequency (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Vibrational Spectra" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Wavenumbers (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Raman Spectra" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensity" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Vibrational Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Magnetic Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR Spectra" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Chemical Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Electronic Spectra" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energy (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Circular Dichroism Spectra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Density" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Smoothed" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Raw" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Imported" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Import Data" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV Files (*.csv);;TSV Files (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Surface" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Style:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Render molecular surfaces." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molecular Orbitals…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Orbital Window" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Display orbital lists." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symmetry" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Occupation" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molecular Orbitals" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molecular Orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "From File" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cube %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Surface Finished" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Couldn't find the active render widget, failing." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Symmetry…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centres.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Template tool" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simple display of VdW spheres." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Start Animation" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Stop Animation" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Vibrational Modes…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Show the vibrational modes dialog." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Set the vibrational mode." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Set the vibrational amplitude." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Start the vibrational animation." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Stop the vibrational animation." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Display vibrational modes." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop execution failed with the following error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-space" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Show a system popup notification when the job's status " "changes.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Rename Elements" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insert Fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insert" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimum Distance:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Environment name:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environment:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Add Constraints" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Atom Indices:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Value:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Add" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Options" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Get Constraint" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Delete Selected" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Delete All" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Help…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Clear" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset All" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Defaults" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Save File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basic Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Title:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculate:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cell Options" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TextLabel" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bond Order:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "CONV THRESH" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicity:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Peptide Builder" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartic acid" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cysteine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutamic acid" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tyrosine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proline" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenylalanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Amino Acids:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequence (N to C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochemistry:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Structure:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Straight Chain" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β Sheet" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Chain Number:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "The chain number for the new peptide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Use Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centre of Molecule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centre of Selection" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Move:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Selected Atoms" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Everything Else" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Conformer Search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Method" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Number of conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetic algorithm search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimization per conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetic Algorithm Options" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "number of children for each parent geometry" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Children:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutation frequency (lower = more frequent mutations)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutability:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "number of identical generations before convergence is reached" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergence:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Scoring method:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Forcefield:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Total Energy" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Search plugins…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Install from Directory…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Remove Selected" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Install / Update Selected" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

The max 2theta value in degrees.

Default: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

The wavelength of the x-ray in Ångstroms.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

The number of 2theta points to generate.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Max 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spectra Visualization" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Scale Factor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Offset:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peak Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Peak Threshold:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Units:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Appearance" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Set Colour…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Imported Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Font Size:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Line Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Show" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Imports a tsv of experimental spectra to overlay on the plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Import…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Background:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Calculated Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Raw Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Export…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Close" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Load data…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Quality: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Very Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Very High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Render" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configure" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Electrostatic Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Record Movie…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Group:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "ethylene" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "ethyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phenyl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibrational Modes" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density-of-states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

The Fermi Level

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Limit the y-range in the plot?

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo " "Fredz,Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff " "Hutchison,Gothmog,Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio " "Castillo A.,cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff " "Hutchison,Jen Ockwell,Marcus D. Hanwell,kuede, ,Launchpad " "Contributions:,Avogadro Team, ,Launchpad Contributions:,Avogadro Team,Brian " "Burns,Geoff Hutchison,Marcus D. Hanwell, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian " "Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Andi Chandler,Anthony " "Harrington,Avogadro Team,Brian Burns,Chris Woollard,Geoff Hutchison,Ken " "Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Andi " "Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com,patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail.com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,,jenfraggleubuntu@googlemail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Option '%1' does not refer to an object." #, qt-format #~ msgid "Tab %1" #~ msgstr "Tab %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Error: value must be object for key '%1'." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Edit Colour Opacity Map…" #~ msgid "ColorOpacityMap" #~ msgstr "ColourOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "Edit colour opacity maps, primarily for volume rendering." #~ msgid "Volume Rendering" #~ msgstr "Volume Rendering" #~ msgid "Cube" #~ msgstr "Cube" #~ msgid "Enable volume rendering" #~ msgstr "Enable volume rendering" #~ msgid "Enable surface rendering" #~ msgstr "Enable surface rendering" #~ msgid "Isovalue" #~ msgstr "Isovalue" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Error retrieving metadata for energy script: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Error parsing metadata for energy script: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Cannot load script %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Checking for %1 scripts in path %2" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 kJ/mol" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Angles:" #~ msgid " °" #~ msgstr " °" #~ msgid "Hartree" #~ msgstr "Hartree" #~ msgid "eV" #~ msgstr "eV" #~ msgid "kcal/mol" #~ msgstr "kcal/mol" #~ msgid "kJ/mol" #~ msgstr "kJ/mol" #, qt-format #~ msgctxt "argument is program name" #~ msgid "Installing dependencies with %1…" #~ msgstr "Installing dependencies with %1…" #~ msgid "Cancel" #~ msgstr "Cancel" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pending)" #~ msgid "unknown molecule" #~ msgstr "unknown molecule" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Reference Axes Overlay" #~ msgid "Meshes" #~ msgstr "Meshes" #~ msgid "Plot RMSD curve…" #~ msgstr "Plot RMSD curve…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generate and plot an RMSD curve." #~ msgid "Max 2*theta:" #~ msgstr "Max 2*theta:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tables for displaying and editng atom, bond, angle, and torsion " #~ "properties." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centred at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCentre the atom at the origin." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Animation Tool \t(%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centres.\n" #~ "Select an element and coordination geometry, then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and click on a hydrogen atom to " #~ "attach it." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Render polygon meshes." #~ msgid "&Analysis" #~ msgstr "&Analysis" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Import..." #~ msgid "Set Color..." #~ msgstr "Set Colour..." #~ msgid "&Export..." #~ msgstr "&Export..." #~ msgid "&Load data..." #~ msgstr "&Load data..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partial Charge" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "Animation Tool" #~ msgstr "Animation Tool" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simple display of VdW spheres with ambient occlusion." #~ msgid "Geometry" #~ msgstr "Geometry" #~ msgid "Add Unit Cell" #~ msgstr "Add &Unit Cell" #~ msgid "By Atomic Index" #~ msgstr "By Atomic Index" #~ msgid "By Distance" #~ msgstr "By Distance" #~ msgid "Select Water…" #~ msgstr "Select Water…" #~ msgid "&Copy" #~ msgstr "&Copy" #~ msgid "Molecule Name:" #~ msgstr "Molecule Name:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecular Mass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemical Formula:" #~ msgid "Number of Atoms:" #~ msgstr "Number of Atoms:" #~ msgid "Number of Bonds:" #~ msgstr "Number of Bonds:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Line width:" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Input (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Select the Python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgid "Set Python Path…" #~ msgstr "Set Python Path…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #~ msgid "Functional Groups" #~ msgstr "Functional Groups" #~ msgid "Help..." #~ msgstr "Help..." #~ msgid "Submit Calculation..." #~ msgstr "Submit Calculation..." #~ msgid "Save File..." #~ msgstr "Save File..." #~ msgid "Download Plugins..." #~ msgstr "Download Plugins..." #~ msgid "Record Movie..." #~ msgstr "Record Movie..." #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgid "Other..." #~ msgstr "Other..." #~ msgid "Connection failed" #~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" #~ msgstr "Filename:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigate" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigate" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element name" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "All files" #, fuzzy #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No molecule set" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Add Hydrogens for pH..." #~ msgid "Atom Properties..." #~ msgstr "Atom Properties..." #~ msgid "Bond Properties..." #~ msgstr "Bond Properties..." #~ msgid "Angle Properties..." #~ msgstr "Angle Properties..." #~ msgid "Torsion Properties..." #~ msgstr "Torsion Properties..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Properties..." #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetry" #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." #~ msgid "Theory:" #~ msgstr "Theory:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotatable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Length %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energy (kJ/mol)" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Insert SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Symmetry Properties..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Add Hydrogens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colour by Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colour by Index (red, orange, yellow, green, blue, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colour by Partial Charge" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Colour by atomic partial charge (blue = positive, red = negative." #~ msgid "Custom Color:" #~ msgstr "Custom Colour:" #~ msgid "Set custom colors for objects" #~ msgstr "Set custom colours for objects" #~ msgid "Color by Distance" #~ msgstr "Colour by Distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." #~ msgid "Color by Element" #~ msgstr "Colour by Element" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colour by Residue (amino acid type, hydrophobicity, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" #~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Highlight particular features which match a SMARTS pattern." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Renders the x, y and z axes at the origin" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgid "Dipole" #~ msgstr "Dipole" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" #~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" #~ msgid "Select Bond Labels Font" #~ msgstr "Select Bond Labels Font" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renders protein backbones as ribbons" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Renders rings with coloured planes" #~ msgid "Simple Wireframe" #~ msgstr "Simple Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renders bonds as wires (lines), ideal for large molecules" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Spheres" #~ msgid "Stick" #~ msgstr "Stick" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Electron density, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgid "Trajectory files" #~ msgstr "Trajectory files" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY files" #~ msgid "Open Trajectory File" #~ msgstr "Open Trajectory File" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adding .avi extension" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Cannot read file format of file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Read trajectory file %1 failed." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Could not determine format from filename: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Cartesian Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesian Editor..." #~ msgid "Cartesian editor" #~ msgstr "Cartesian editor" #~ msgid "Number of atoms: %1" #~ msgstr "Number of atoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Number of rotatable bonds: %1" #~ msgid "Add constraint" #~ msgstr "Add constraint" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Your molecule must contain at least one atom to add a constraint" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgid "&Crystallography" #~ msgstr "&Crystallography" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "&Length Unit" #~ msgstr "&Length Unit" #~ msgid "&Angle Unit" #~ msgstr "&Angle Unit" #~ msgid "&Coordinate Display" #~ msgstr "&Coordinate Display" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinate &Preservation" #~ msgid "&Matrix Display" #~ msgstr "&Matrix Display" #~ msgid "Hide &Editors" #~ msgstr "Hide &Editors" #~ msgid "Show &Editors" #~ msgstr "Show &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Hide &Property Display" #~ msgid "Show &Property Display" #~ msgstr "Show &Property Display" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Space group: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefined" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubic" #~ msgid "Paste Crystal" #~ msgstr "Paste Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reduction failed. The input structure's lattice is confusing the " #~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " #~ "orders of magnitude smaller than the tolerance) to the input lattices and " #~ "try again." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotate To Standard &Orientation" #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Perceive Space&group..." #~ msgstr "Perceive Space &group..." #~ msgid "Set &Spacegroup..." #~ msgstr "Set &Space group..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Unit Cell" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Fill the unit cell using current space group." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduce to &Asymmetric Unit" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&mmetrise Crystal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduce Cell (&Primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Picometre" #~ msgid "&Degree" #~ msgstr "&Degree" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Display &cartesian coordinates" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preserve &Fractional Coordinates During Cell Modification" #~ msgid "Display &cartesian matrix" #~ msgstr "Display &cartesian matrix" #~ msgid "Display &fractional matrix" #~ msgstr "Display &fractional matrix" #~ msgid "Display as &row vectors" #~ msgstr "Display as &row vectors" #~ msgid "Display as &column vectors" #~ msgstr "Display as &column vectors" #~ msgid "&Crystal View Options..." #~ msgstr "&Crystal View Options..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrised into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgid "Set Spacegroup" #~ msgstr "Set Space group" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "There is not a space group set for this document.\n" #~ "\n" #~ "Would you like to set a space group now?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Space group P1 detected -- cannot symmetrise to this space group.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symmetrise Crystal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Wrap Atoms To Cell" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduce to Niggli Cell" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Select tolerance in current cartesian units:" #~ msgid "Crystallography" #~ msgstr "Crystallography" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construct and analyse periodic structures." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Format\n" #~ msgid "Bad Compostion" #~ msgstr "Bad Compostion" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Cartesian Coordinates" #~ msgid "Fractional Coordinates" #~ msgstr "Fractional Coordinates" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Cell Matrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Set Unit Cell Matrix" #~ msgid "Set Unit Cell Params" #~ msgstr "Set Unit Cell Params" #~ msgid "Working..." #~ msgstr "Working..." #~ msgid "Build" #~ msgstr "Build" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cut Slab From Crystal" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Please select one or more atoms." #~ msgid "Trajectory..." #~ msgstr "Trajectory..." #~ msgid "Open chemical file format" #~ msgstr "Open chemical file format" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Open parameter file" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajectory" #~ msgid "Import trajectory files" #~ msgstr "Import trajectory files" #~ msgid "Calculate Energy" #~ msgstr "Calculate Energy" #~ msgid "Conformer Search..." #~ msgstr "Conformer Search..." #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgid "Geometric Optimization" #~ msgstr "Geometric Optimization" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "Genetic Algorithm Search" #~ msgstr "Genetic Algorithm Search" #~ msgid "ForceField" #~ msgstr "ForceField" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." #~ msgstr "&Vector Graphics..." #~ msgid "Common vector image formats" #~ msgstr "Common vector image formats" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vector graphics export" #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" #~ msgid "H to Methyl" #~ msgstr "H to Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transform hydrogens to methyl groups" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insert DNA/RNA chains" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" #~ msgid "Invert Chirality" #~ msgstr "Invert Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Invert chiral centres" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "unknown" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Display standard molecular properties." #~ msgid "Fetch by chemical name..." #~ msgstr "Fetch by chemical name..." #~ msgid "Fetch from URL..." #~ msgstr "Fetch from URL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry to download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL of molecule to download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Specified molecule could not be loaded: %1" #~ msgid "Network Fetch" #~ msgstr "Network Fetch" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." #~ msgid "OrcaExtension Warning" #~ msgstr "OrcaExtension Warning" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " No vibration data found!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Selected displacement data doesn't fit to the actual molecule!" #~ msgid "extended Geometry File" #~ msgstr "extended Geometry File" #~ msgid "Read Orca Outputfile" #~ msgstr "Read Orca Outputfile" #~ msgid "no file found" #~ msgstr "no file found" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Somethings wrong in the file structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Somethings wrong in the file structure - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Something is wrong in the IR output! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Something is wrong in the raman output! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Something is wrong in the orbital energy output! " #~ msgid "No geometry found in file!" #~ msgstr "No geometry found in file!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgid "Could not read file!" #~ msgstr "Could not read file!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyse Orca Output..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Example" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Provides a dialogue box with the words \"H...\"." #~ msgid "ORCA Input Deck" #~ msgstr "ORCA Input Deck" #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "RijCosX option not available for the selected DFT functional!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::No vibration data found!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Image files (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No valid filename was supplied." #~ msgid "Does not compute." #~ msgstr "Does not compute." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray failed to start." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgid "Conformer Properties..." #~ msgstr "Conformer Properties..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Abinit Running." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Not Installed." #~ msgid "The abinit executable cannot be found." #~ msgstr "The abinit executable cannot be found." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit did not start. Perhaps it is not installed correctly." #~ msgid "Running Abinit calculation..." #~ msgstr "Running Abinit calculation..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selection..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selection..." #~ msgid "You must make a selection!" #~ msgstr "You must make a selection!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversion Unavailable" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format Conversion Not Available!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" #~ msgid "Advanced Settings Changed" #~ msgstr "Advanced Settings Changed" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advanced Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgid "Basic Settings Reset" #~ msgstr "Basic Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Deck" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Running." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." #~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Deck Generator Warning" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Input Deck" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Input Deck" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC is already running. Wait until the previous calculation has " #~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC failed to start." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." #~ msgid "Running MOPAC calculation..." #~ msgstr "Running MOPAC calculation..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Crashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem Input Deck" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Input Deck" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Deck" #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Add Named Selection..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selection" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS pattern to select" #~ msgid "There is no current selection." #~ msgstr "There is no current selection." #~ msgid "Add Named Selection" #~ msgstr "Add Named Selection" #~ msgid "Name cannot be empty." #~ msgstr "Name cannot be empty." #~ msgid "There is already a selection with this name." #~ msgstr "There is already a selection with this name." #~ msgid "Selections" #~ msgstr "Selections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Select atoms, bonds, residues..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open a vertex shader source file" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader files (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open a fragment shader source file" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader files (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters file" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters files (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Load and use OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensity (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Density of States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Density of States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Density of States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "No intensities" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualisation." #~ msgid "Activity" #~ msgstr "Activity" #~ msgid "X Axis" #~ msgstr "X Axis" #~ msgid "Y Axis" #~ msgstr "Y Axis" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrared Spectra Settings" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra Settings" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV Settings" #~ msgid "&CD Settings" #~ msgstr "&CD Settings" #~ msgid "&Raman Settings" #~ msgstr "&Raman Settings" #~ msgid "No data" #~ msgstr "No data" #~ msgid "Dark" #~ msgstr "Dark" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Handdrawn" #~ msgid "New Scheme" #~ msgstr "New Scheme" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirm Scheme Removal" #~ msgid "Really remove current scheme?" #~ msgstr "Really remove current scheme?" #~ msgid "Change Scheme Name" #~ msgstr "Change Scheme Name" #~ msgid "Enter new name for current scheme:" #~ msgstr "Enter new name for current scheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spectra Import" #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Data Format" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Load Spectral Data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD file is improperly formatted : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" #~ msgid "Image successfully written to %1" #~ msgstr "Image successfully written to %1" #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" #~ msgid "&Advanced >>" #~ msgstr "&Advanced >>" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrational Analysis" #~ msgid "No vibrational displacements exist." #~ msgstr "No vibrational displacements exist." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." #~ msgid "Super Cell Builder..." #~ msgstr "Super Cell Builder..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" #~ msgid "Molecular Orbitals..." #~ msgstr "Molecular Orbitals..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Electron Density" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculating VdW Cube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculating MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Electrostatic potential surfaces are not yet supported." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculate molecular orbitals and other surfaces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanotube Builder..." #~ msgid "Nanotube Builder" #~ msgstr "Nanotube Builder" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Invalid Nanotube Specification" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgid "Insert Nanotube" #~ msgstr "Insert Nanotube" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Builder" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construct single wall carbon nanotubes." #~ msgid "Building..." #~ msgstr "Building..." #~ msgid "Display point group symmetry." #~ msgstr "Display point group symmetry." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" #~ msgid "Building video " #~ msgstr "Building video " #~ msgid "Could not run mencoder." #~ msgstr "Could not run mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Save VRML rendered files" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connect" #~ msgid "Disconnect" #~ msgstr "Disconnect" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion using Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgid "Debug Information" #~ msgstr "Debug Information" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "File type '%1' is not supported for reading." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "File type for file '%1' is not supported for reading." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Reading molecule with index %1 from file '%2' failed." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "File type '%1' is not supported for writing." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "File type for file '%1' is not supported for writing." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Could not open file '%1' for reading." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Replacing molecule with index %1 in file '%2' failed." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "File %1 cannot be opened for reading." #~ msgid "File %1 can not be opened for writing." #~ msgstr "File %1 can not be opened for writing." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Saving molecular file failed - could not rename original file." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Saving molecular file failed - could not rename new file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Saving molecular file failed - could not remove old file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "File %1 cannot be opened for writing." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Writing conformers to file '%1' failed." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script has no 'Engine' class defined" #~ msgid " - no module" #~ msgstr " - no module" #~ msgid "Unknown Python Extension" #~ msgstr "Unknown Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checking " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script has no 'Extension' class defined" #~ msgid "Unknown Python Tool" #~ msgstr "Unknown Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" #~ msgid "Conformer %1" #~ msgstr "Conformer %1" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Align:" #~ msgid "Everything" #~ msgstr "Everything" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Auto Optimisation Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Steps per Update:" #~ msgid "Algorithm:" #~ msgstr "Algorithm:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molecular Dynamics (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molecular Dynamics (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fixed atoms are movable" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignored atoms are movable" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "x rotation" #~ msgstr "x rotation" #~ msgid "y rotation:" #~ msgstr "y rotation:" #~ msgid "y rotation" #~ msgstr "y rotation" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatic rotation of molecules" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotate Settings" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bond Length: %L1" #~ msgid " Show Angles" #~ msgstr " Show Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Snap-to Threshold: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bond Centric Manipulate" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation of bond lengths, angles, and torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Bond Centric Manipulate Settings" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Angle: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Measure bond lengths, angles, and dihedrals" #~ msgid "Draw Bond" #~ msgstr "Draw Bond" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Draw and edit atoms and bonds" #~ msgid "Draw Settings" #~ msgstr "Draw Settings" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translate, rotate, and adjust atoms and fragments" #~ msgid "Manipulate Settings" #~ msgstr "Manipulate Settings" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translate, rotate, and zoom around the current view" #~ msgid "Navigate Settings" #~ msgstr "Navigate Settings" #~ msgid "Selection Mode:" #~ msgstr "Selection Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Residue" #~ msgid "Add Center of Atoms" #~ msgstr "Add Centre of Atoms" #~ msgid "Change color of the atom" #~ msgstr "Change colour of the atom" #~ msgid "Change label of the atom" #~ msgstr "Change label of the atom" #~ msgid "Change label of the bond" #~ msgstr "Change label of the bond" #~ msgid "Change radius of the atom" #~ msgstr "Change radius of the atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "New Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bond Length" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Angle" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Create/edit a z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Settings" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" #~ msgid "Amino Colors" #~ msgstr "Amino Colours" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" #~ msgid "Axes:" #~ msgstr "Axes:" #~ msgid "Cartesian Axes" #~ msgstr "Cartesian Axes" #~ msgid "Orthogonal Axes" #~ msgstr "Orthogonal Axes" #~ msgid "Axis 1:" #~ msgstr "Axis 1:" #~ msgid "Axis 2:" #~ msgstr "Axis 2:" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" #~ msgid "Origin:" #~ msgstr "Origin:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Preserve vector norms" #~ msgid "Atom Radius:" #~ msgstr "Atom Radius:" #~ msgid "Bond Radius:" #~ msgstr "Bond Radius:" #~ msgid "Shape" #~ msgstr "Shape" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Dipole:" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" #~ msgid "Custom:" #~ msgstr "Custom:" #~ msgid "Width:" #~ msgstr "Width:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off angle:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering Engine:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & Number in Group" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" #~ msgid "Partial charge" #~ msgstr "Partial charge" #~ msgid "Residue number" #~ msgstr "Residue number" #~ msgid "Custom data" #~ msgstr "Custom data" #~ msgid "Change Font" #~ msgstr "Change Font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Bond length" #~ msgid "Bond number" #~ msgstr "Bond number" #~ msgid "Bond order" #~ msgstr "Bond order" #~ msgid "Lines" #~ msgstr "Lines" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opacity:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Fill" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" #~ msgid "Positive" #~ msgstr "Positive" #~ msgid "Negative" #~ msgstr "Negative" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "Animate Trajectory" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractional" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Input #2" #~ msgid "Priroda Input" #~ msgstr "Priroda Input" #~ msgid "Apply Changes" #~ msgstr "Apply Changes" #~ msgid "Cut All" #~ msgstr "Cut All" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgid "(None)" #~ msgstr "(None)" #~ msgid "Sort by " #~ msgstr "Sort by " #~ msgid "Number of atoms:" #~ msgstr "Number of atoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Number of rotatable bonds:" #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torsion angle" #~ msgid "Save" #~ msgstr "Save" #~ msgid "Load" #~ msgstr "Load" #~ msgid "Atomic &identites:" #~ msgstr "Atomic &identites:" #~ msgid "Surface Slab Builder" #~ msgstr "Surface Slab Builder" #~ msgid "Plane:" #~ msgstr "Plane:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller Indices:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Warning: Use non-zero Miller Indices" #~ msgid "Width (x)" #~ msgstr "Width (x)" #~ msgid "Width (y)" #~ msgstr "Width (y)" #~ msgid "Height (z)" #~ msgstr "Height (z)" #~ msgid "length" #~ msgstr "length" #~ msgid "cell repeats" #~ msgstr "cell repeats" #~ msgid "&Translate " #~ msgstr "&Translate " #~ msgid "by arbitrary vector" #~ msgstr "by arbitrary vector" #~ msgid "selected atom to unit cell center" #~ msgstr "selected atom to unit cell centre" #~ msgid "Translation vector:" #~ msgstr "Translation vector:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vector units:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "&Translate" #~ msgid "Crystal View Options" #~ msgstr "Crystal View Options" #~ msgid "Unit Cell Repeats:" #~ msgstr "Unit Cell Repeats:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Draw Unit Cell(s)?" #~ msgid "One" #~ msgstr "One" #~ msgid "All" #~ msgstr "All" #~ msgid "Color..." #~ msgstr "Colour..." #~ msgid "View Along:" #~ msgstr "View Along:" #~ msgid "Default View" #~ msgstr "Default View" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indices" #~ msgid "File Import..." #~ msgstr "File Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Attempt to perceive bonds?" #~ msgid "Setup Force Field" #~ msgstr "Setup Force Field" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Number of steps" #~ msgid "Algorithm" #~ msgstr "Algorithm" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energy (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" #~ msgid "select Fragment" #~ msgstr "select Fragment" #~ msgid "Basic" #~ msgstr "Basic" #~ msgid "Comment" #~ msgstr "Comment" #~ msgid "Frequency" #~ msgstr "Frequency" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "z-Matrix" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrix compact" #~ msgid "Advanced" #~ msgstr "Advanced" #~ msgid "Basis Set" #~ msgstr "Basis Set" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Aux. Basis Set" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "Relativistic" #~ msgstr "Relativistic" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Order" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Corr. Aux. Basis Set" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "Run type" #~ msgstr "Run type" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Basis Sets" #~ msgid "Printlevel" #~ msgstr "Printlevel" #~ msgid "Small" #~ msgstr "Small" #~ msgid "Large" #~ msgstr "Large" #~ msgid "Damping" #~ msgstr "Damping" #~ msgid "Factor" #~ msgstr "Factor" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

select only if no defaults are wanted

" #~ msgid "Accuracy" #~ msgstr "Accuracy" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Levelshift " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "2nd Order" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "max. SCF iterations" #~ msgid "SCF Type" #~ msgstr "SCF Type" #~ msgid "restricted" #~ msgstr "restricted" #~ msgid "unrestricted" #~ msgstr "unrestricted" #~ msgid "restricted open-shell" #~ msgstr "restricted open-shell" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "FinalGrid" #~ msgstr "FinalGrid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Select..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Use full scene antialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Render the molecule directly using command line POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Keep the POV-Ray source after rendering has completed" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Keep POV-Ray source after rendering" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Abinit Input" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduced" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Plane Wave cutoff (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance on forces(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max lattice expansion:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-point shift:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Number of bands:" #~ msgid "# k-point shifts:" #~ msgstr "# k-point shifts:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Double grid PW cutoff (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Occupation scheme:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerance type:" #~ msgid "Wave Function norm" #~ msgstr "Wave Function norm" #~ msgid "Total Potential" #~ msgstr "Total Potential" #~ msgid "Relative Force" #~ msgstr "Relative Force" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing width (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - no moving ions " #~ msgid "1 - viscous damping" #~ msgstr "1 - viscous damping" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS with energy" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrical time steps:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Kinetic Energy smoothing (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Compute..." #~ msgid "Dalton Input" #~ msgstr "Dalton Input" #~ msgid "Basics" #~ msgstr "Basics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Basis Set:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "Diffuse functions" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid Specification" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitioning Scheme:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid Quality:" #~ msgid "coarse" #~ msgstr "coarse" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Radial Scheme:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Show all functionals" #~ msgid "Property:" #~ msgstr "Property:" #~ msgid "Polarizability" #~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" #~ msgid "No. excitations:" #~ msgstr "No. excitations:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Advanced Setup" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Default" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Saddle Point" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiative Transition mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbit" #~ msgid "Finite Electric Field" #~ msgstr "Finite Electric Field" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molecule Charge:" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "Coordinate Type:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Hours" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Weeks" #~ msgstr "Weeks" #~ msgid "Years" #~ msgstr "Years" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Loop" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Next Value" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Initial Guess:" #~ msgstr "Initial Guess:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "Skip" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotate Alpha and Beta Orbitals" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF Natural Orbitals" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN correlation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT Functional:" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "Compute MP2 Properties" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" #~ msgid "Transformation Method" #~ msgstr "Transformation Method" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "Displacement Size:" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequency Scale Factor:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK Input" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK input generated by Avogadro" #~ msgid "Transition State Search" #~ msgstr "Transition State Search" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgid "Run in direct mode:" #~ msgstr "Run in direct mode:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Input" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem Input" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unrestricted" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "yes" #~ msgid "Dispersion:" #~ msgstr "Dispersion:" #~ msgid "Load Shaders" #~ msgstr "Load Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assign Shader" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Font:" #~ msgstr "Font:" #~ msgid "Change Font..." #~ msgstr "Change Font..." #~ msgid "Foreground:" #~ msgstr "Foreground:" #~ msgid "New..." #~ msgstr "New..." #~ msgid "Rename..." #~ msgstr "Rename..." #~ msgid "&Schemes:" #~ msgstr "&Schemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Width:" #~ msgid "&Height" #~ msgstr "&Height" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Use an optimised value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-adjust F&ont Size" #~ msgid "Spectra Tab" #~ msgstr "Spectra Tab" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Width:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength type:" #~ msgid "Energy units:" #~ msgstr "Energy units:" #~ msgid "Density units" #~ msgstr "Density units" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energy: " #~ msgid "States / Cell" #~ msgstr "States / Cell" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Valence electron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energy at zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "Show integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Axis Units:" #~ msgid "Scaling Type:" #~ msgstr "Scaling Type:" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Axes" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Show Spectra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "higher frequency vibrations will show faster movement" #~ msgid "Animation speed set by frequency" #~ msgstr "Animation speed set by frequency" #~ msgid "Display force &vectors" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" #~ msgid "&Recalculate All" #~ msgstr "&Recalculate All" #~ msgid "Default &Quality:" #~ msgstr "Default &Quality:" #~ msgid "Show occupied orbitals first" #~ msgstr "Show occupied orbitals first" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limit orbital precalculations to " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitals around HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Surface Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Low" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "High" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Very High" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "New Display" #~ msgid "Advanced..." #~ msgstr "Advanced..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Length:" #~ msgid "Uni&t:" #~ msgstr "Uni&t:" #~ msgid "periodic units" #~ msgstr "periodic units" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr radii" #~ msgid "nanometers" #~ msgstr "nanometres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap with hydrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgid "Find &double bonds" #~ msgstr "Find &double bonds" #~ msgid "Molecular Symmetry" #~ msgstr "Molecular Symmetry" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Scale (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Smallest sphere (mm): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Thinnest cylinder (mm): " #~ msgid "Calculate Size..." #~ msgstr "Calculate Size..." #~ msgid "Display visual cues" #~ msgstr "Display visual cues" #~ msgid "Python Settings" #~ msgstr "Python Settings" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" OpenChemistry-avogadrolibs-ceb949f/i18n/en_GB.po000066400000000000000000014434101516317240700215720ustar00rootroot00000000000000# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same licence as the avogadro package. # My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. # matterhorn103 , 2023. # Andi Chandler , 2024, 2025, 2026. # Eisuke Kawashima , 2024, 2025. # Hosted Weblate user 144212 , 2026. # Weblate Translation Memory , 2026. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-23 20:09+0000\n" "Last-Translator: Andi Chandler \n" "Language-Team: English (United Kingdom) \n" "Language: en_GB\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "No message specified." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continue" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Close" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Unknown" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "The following file has been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[1] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "The input files cannot be written:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No program selected." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxygen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluorine" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicon" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulphur" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlorine" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chromium" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Iron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Copper" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromine" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdenum" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimony" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodine" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Caesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthanum" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercury" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Lead" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatine" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Browse" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "handlers" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "handle" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "readers" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "read" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "writers" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "write" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "All files" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "All supported formats" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Warning" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Error" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' is not a string for option '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Title" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Filename Base" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memory" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Theory" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvent" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Model" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "User Name" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Password" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[no molecule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Layer %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Close Contacts" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-Covalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Reference Axes" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Untitled" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Edit molecule" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Not saved" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodic Table" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Package mode requires pixi but it was not found." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Script failed to start." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Script crashed." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Script timed out." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Read error." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Write error." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Change Layer" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Add Atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Change Elements" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Change Element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Change Atom Colour" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Change Residue Colour" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Add Bond" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Update Bond" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Add Unit Cell…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Remove Unit Cell" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "Fill Translational Copies" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Change Atom Position" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Change Atom Label" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Change Bond Label" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modify Molecule" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Settings" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Calculating…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Less than a second remaining" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n second remaining" msgstr[1] "%n second(s) remaining" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n minute remaining" msgstr[1] "%n minute(s) remaining" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 hour %n minute(s) remaining" msgstr[1] "1 hour %n minute(s) remaining" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n hour remaining" msgstr[1] "%n hour(s) remaining" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Change Elements…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Build" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchemy" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Change elements of atoms." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Align" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centred at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCentre the atom at the origin." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centre the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Input" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Please specify PDB file" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Generated %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Error running PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Input (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Input file written to '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Cannot save file %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "By Atomic Index…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "By Distance…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Apply Index Colours" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Apply Charge Colours" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Apply Distance Colours" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Reset Atom Colours" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Apply Custom Colour" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Apply Custom Residue Colour" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Reset Residue Colours" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Apply Secondary Structure Colours" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Apply Amino Acid Colours" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Apply Shapely Colours" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ApplyColours" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Auto Optimize" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimize" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dynamics" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Task:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Timestep:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimize Geometry" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molecular Dynamics" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Auto Optimize tool" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Interactive optimization of molecular geometry" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bond scale" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacity" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bonding" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Add centroids and centre-of-mass." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsive" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Render close contacts between atoms." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error reading output file '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Command scripts" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Run external script commands" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python Settings…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Install Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python is used for many Avogadro features. Do you want to download Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configure Python environments." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Other…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Constraints…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calculate" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Constraints" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Set constraints for geometry optimizations" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distance" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Torsion Angle" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Freeze Atom" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Freeze X Axis" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Freeze Y Axis" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Freeze Z Axis" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Type" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Value" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copy" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Cut" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Delete" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Output format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Reader error:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Detected format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generate input for CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Import Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Import Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Colour axes:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "No unit cell present." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Unit Cell Editor" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignoring singular cell matrix" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignoring singular fractional cell matrix" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Custom Elements" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipole Moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Render the dipole moment of the molecule." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Editor tool" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Single" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Chemical structure to download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Invalid PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "The PDB code must be exactly 4 characters long." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "The first character of the PDB code must be 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Network Download Failed" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Network timeout or other error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Freeze X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Freeze Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Freeze Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fuse Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Unfuse Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "No atoms provided for optimisation" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energy: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Force Norm = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Options…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Invalid Model Options" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Could not parse user options for model '%1'." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Options" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetect (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Transition State" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequencies" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Make EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Core Potential" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "None" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptide…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Insert Peptide" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "InsertPeptide" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Insert oligopeptide sequences." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Distance from centre:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Label scale:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Unique ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Element & Number" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Element & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partial Charge" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atom Label:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Length" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Bond Label:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Name & ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacity:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "No coordinates found!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Unable to generate 3D coordinates." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Measure tool" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(pending)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Property" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molecule Name" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molecular Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoisotopic Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Chemical Formula" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Number of Atoms" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Number of Bonds" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Coordinate Sets" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Number of Residues" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Number of Chains" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Net Charge" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Net Spin Multiplicity" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipole Moment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Total Energy (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Zero Point Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropy (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs Free Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Point Group" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analyse" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Properties" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molecule Properties" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Files (*.csv);;All Files (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Could not open the file for writing." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Error writing to the file." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotate the scene along the x, y, or z axes." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Zoom the scene." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Translate the scene." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigate tool" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Chalcogen" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Render a few non-covalent interactions." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Conformer Search…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 not found! Disabling Open Babel plugin actions." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "An error occurred while retrieving the list of supported force fields. " "(using '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Generating…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molecule invalid. Cannot generate conformers." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Cannot generate conformers with Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Generating Conformers (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generate Conformers" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Already running Open Babel. Wait for the other operation to complete and try " "again." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Render reference axes in the corner of the display." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Manage Plugins…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Package Installer" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Install, update, and remove Avogadro packages." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Error downloading plugin list: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Error: empty response from server." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Error fetching README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nothing Selected" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Check the box next to a plugin to install or update it." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (requires %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Version Incompatibility" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "No Download Available" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Failed to follow redirect while downloading %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Failed to download from %1: status %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Failed to download from %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Downloading %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Extracting %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extraction complete (%1 files)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Error: could not move extracted package %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Extraction error: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Extraction yielded no files.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Installation complete.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nothing to Remove" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Check the box next to an installed plugin to remove it." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Remove Plugins" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Remove %n selected plugin?" msgstr[1] "Remove %n selected plugins?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Keep Files" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Delete file" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Select Plugin Directory" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Invalid Directory" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "The selected directory does not contain a pyproject.toml file." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Plugin already installed as symlink: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Created symlink: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "Symlink creation failed; copying files instead…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Failed to copy package to %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Installing plugin from %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Not installed" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Installed (up to date)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Update available" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Installed locally (not in online catalogue)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Requires Avogadro %1 or later (running %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Feature icons:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Version" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Features" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Description" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Electrostatics" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Energy Models" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "File Formats" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Input Generators" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Commands" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERROR: could not open zip file to list contents.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERROR: could not open zip file to extract files.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Warning: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Animation Tool\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Start:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "End:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dynamic bonding?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Play" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Record…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pause" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Play back trajectories" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Plot Conformer Data…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Conformer Analysis" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Plot Type:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Velocities" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Energy Units:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "to" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Relative Energy (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Forces (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Velocities (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "PlotConformer" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Generate and plot conformer data (RMSD or energy)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Error downloading plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Error parsing plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Always" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Never" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Failed to download from %1: status code %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Error while extracting: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Installation cancelled\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Save File" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Click to change colour" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Partial Charge" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Label" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotope" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energy (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Conformer Properties…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tables for displaying and editing atom, bond, angle and torsion properties." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atom Properties" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bond Properties" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Angle Properties" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Torsion Properties" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Residue Properties" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Partial Charge Type" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Select the partial charge type:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Change Charge Type…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Freeze Atom" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Freeze X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Freeze Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Freeze Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Unfreeze Atom" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Constrain Bond" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Constrain Angle" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Constrain Torsion" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Remove Constraint" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Cannot read file %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Failed to create a temporary file." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centre" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Select Water" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Select Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Select Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Select Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Select Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residues to Select:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Select" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Fill Translation Cell…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Fill all atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Perceive Space Group" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triclinic" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoclinic" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Orthorhombic" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Rhombohedral" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Cubic" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Primitive Cell Detected" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centred conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Failed to conventionalise the cell." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Crystal System" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Plot Spectra…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spectra" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Display spectra plots." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infrared" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Vibrational CD" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Magnetic CD" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Density of States" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Select Background Colour" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Select Foreground Colour" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Select Calculated Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Select Raw Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Select Imported Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Wavelength (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frequency (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Vibrational Spectra" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Wavenumbers (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Raman Spectra" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensity" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Vibrational Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Magnetic Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR Spectra" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Chemical Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Electronic Spectra" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energy (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Circular Dichroism Spectra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Density" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Smoothed" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Raw" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Imported" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Import Data" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV Files (*.csv);;TSV Files (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Surface" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Style:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Render molecular surfaces." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molecular Orbitals…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Orbital Window" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Display orbital lists." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symmetry" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Occupation" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molecular Orbitals" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molecular Orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "From File" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cube %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Surface Finished" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Couldn't find the active render widget, failing." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Symmetry…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centres.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Template tool" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simple display of VdW spheres." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Start Animation" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Stop Animation" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Vibrational Modes…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Show the vibrational modes dialog." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Set the vibrational mode." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Set the vibrational amplitude." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Start the vibrational animation." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Stop the vibrational animation." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Display vibrational modes." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop execution failed with the following error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-space" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Show a system popup notification when the job's status " "changes.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Rename Elements" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insert Fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insert" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimum Distance:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Environment name:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environment:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Add Constraints" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Atom Indices:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Value:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Add" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Options" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Get Constraint" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Delete Selected" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Delete All" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Help…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Clear" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset All" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Defaults" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Save File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basic Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Title:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculate:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cell Options" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TextLabel" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bond Order:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "CONV THRESH" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicity:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Peptide Builder" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartic acid" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cysteine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutamic acid" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tyrosine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proline" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenylalanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Amino Acids:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequence (N to C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochemistry:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Structure:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Straight Chain" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β Sheet" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π Helix" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Chain Number:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "The chain number for the new peptide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Use Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centre of Molecule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centre of Selection" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Move:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Selected Atoms" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Everything Else" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Conformer Search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Method" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Number of conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetic algorithm search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimisation per conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetic Algorithm Options" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "number of children for each parent geometry" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Children:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutation frequency (lower = more frequent mutations)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutability:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "number of identical generations before convergence is reached" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergence:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Scoring method:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Forcefield:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Total Energy" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Search plugins…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Install from Directory…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Remove Selected" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Install / Update Selected" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

The max 2theta value in degrees.

Default: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

The wavelength of the x-ray in Ångstroms.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

The number of 2theta points to generate.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Max 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spectra Visualisation" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Scale Factor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Offset:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peak Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Peak Threshold:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Units:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Appearance" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Set Colour…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Imported Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Font Size:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Line Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Show" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Imports a tsv of experimental spectra to overlay on the plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Import…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Background:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Calculated Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Raw Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Export…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Close" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Load data…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Quality: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Very Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Very High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Render" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configure" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Electrostatic Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Record Movie…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Group:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "ethylene" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "ethyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phenyl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibrational Modes" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density-of-states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

The Fermi Level

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Limit the y-range in the plot?

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo " "Fredz,Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff " "Hutchison,Gothmog,Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio " "Castillo A.,cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff " "Hutchison,Jen Ockwell,Marcus D. Hanwell,kuede, ,Launchpad " "Contributions:,Avogadro Team, ,Launchpad Contributions:,Avogadro Team,Brian " "Burns,Geoff Hutchison,Marcus D. Hanwell, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian " "Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Andi Chandler,Anthony " "Harrington,Avogadro Team,Brian Burns,Chris Woollard,Geoff Hutchison,Ken " "Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Andi " "Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com,patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail.com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,,jenfraggleubuntu@googlemail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Option '%1' does not refer to an object." #, qt-format #~ msgid "Tab %1" #~ msgstr "Tab %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Error: value must be object for key '%1'." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Edit Colour Opacity Map…" #~ msgid "ColorOpacityMap" #~ msgstr "ColourOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "Edit colour opacity maps, primarily for volume rendering." #~ msgid "Volume Rendering" #~ msgstr "Volume Rendering" #~ msgid "Cube" #~ msgstr "Cube" #~ msgid "Enable volume rendering" #~ msgstr "Enable volume rendering" #~ msgid "Enable surface rendering" #~ msgstr "Enable surface rendering" #~ msgid "Isovalue" #~ msgstr "Isovalue" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Error retrieving metadata for energy script: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Error parsing metadata for energy script: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Cannot load script %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Checking for %1 scripts in path %2" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 kJ/mol" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Angles:" #~ msgid " °" #~ msgstr " °" #~ msgid "Hartree" #~ msgstr "Hartree" #~ msgid "eV" #~ msgstr "eV" #~ msgid "kcal/mol" #~ msgstr "kcal/mol" #~ msgid "kJ/mol" #~ msgstr "kJ/mol" #, qt-format #~ msgctxt "argument is program name" #~ msgid "Installing dependencies with %1…" #~ msgstr "Installing dependencies with %1…" #~ msgid "Cancel" #~ msgstr "Cancel" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pending)" #~ msgid "unknown molecule" #~ msgstr "unknown molecule" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Reference Axes Overlay" #~ msgid "Meshes" #~ msgstr "Meshes" #~ msgid "Plot RMSD curve…" #~ msgstr "Plot RMSD curve…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generate and plot an RMSD curve." #~ msgid "Max 2*theta:" #~ msgstr "Max 2*theta:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tables for displaying and editng atom, bond, angle, and torsion " #~ "properties." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centred at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCentre the atom at the origin." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Animation Tool \t(%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centres.\n" #~ "Select an element and coordination geometry, then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and click on a hydrogen atom to " #~ "attach it." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Render polygon meshes." #~ msgid "&Analysis" #~ msgstr "&Analysis" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Import..." #~ msgid "Set Color..." #~ msgstr "Set Colour..." #~ msgid "&Export..." #~ msgstr "&Export..." #~ msgid "&Load data..." #~ msgstr "&Load data..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partial Charge" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "Animation Tool" #~ msgstr "Animation Tool" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centres.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simple display of VdW spheres with ambient occlusion." #~ msgid "Geometry" #~ msgstr "Geometry" #~ msgid "Add Unit Cell" #~ msgstr "Add &Unit Cell" #~ msgid "By Atomic Index" #~ msgstr "By Atomic Index" #~ msgid "By Distance" #~ msgstr "By Distance" #~ msgid "Select Water…" #~ msgstr "Select Water…" #~ msgid "&Copy" #~ msgstr "&Copy" #~ msgid "Molecule Name:" #~ msgstr "Molecule Name:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecular Mass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemical Formula:" #~ msgid "Number of Atoms:" #~ msgstr "Number of Atoms:" #~ msgid "Number of Bonds:" #~ msgstr "Number of Bonds:" #~ msgid "TODO" #~ msgstr "TODO" #~ msgid "Line Size:" #~ msgstr "Line Size:" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Input (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Select the Python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgid "Set Python Path…" #~ msgstr "Set Python Path…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #~ msgid "Functional Groups" #~ msgstr "Functional Groups" #~ msgid "Help..." #~ msgstr "Help..." #~ msgid "Submit Calculation..." #~ msgstr "Submit Calculation..." #~ msgid "Save File..." #~ msgstr "Save File..." #~ msgid "Download Plugins..." #~ msgstr "Download Plugins..." #~ msgid "Record Movie..." #~ msgstr "Record Movie..." #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgid "Other..." #~ msgstr "Other..." #~ msgid "Connection failed" #~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" #~ msgstr "Filename:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigate" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigate" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element name" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "All files" #, fuzzy #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No molecule set" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Add Hydrogens for pH..." #~ msgid "Atom Properties..." #~ msgstr "Atom Properties..." #~ msgid "Bond Properties..." #~ msgstr "Bond Properties..." #~ msgid "Angle Properties..." #~ msgstr "Angle Properties..." #~ msgid "Torsion Properties..." #~ msgstr "Torsion Properties..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Properties..." #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetry" #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." #~ msgid "Theory:" #~ msgstr "Theory:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotatable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Length %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energy (kJ/mol)" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Insert SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Symmetry Properties..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Add Hydrogens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colour by Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colour by Index (red, orange, yellow, green, blue, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colour by Partial Charge" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Colour by atomic partial charge (blue = positive, red = negative." #~ msgid "Custom Color:" #~ msgstr "Custom Colour:" #~ msgid "Set custom colors for objects" #~ msgstr "Set custom colours for objects" #~ msgid "Color by Distance" #~ msgstr "Colour by Distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." #~ msgid "Color by Element" #~ msgstr "Colour by Element" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colour by Residue (amino acid type, hydrophobicity, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" #~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Highlight particular features which match a SMARTS pattern." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Renders the x, y and z axes at the origin" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgid "Dipole" #~ msgstr "Dipole" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" #~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" #~ msgid "Select Bond Labels Font" #~ msgstr "Select Bond Labels Font" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renders protein backbones as ribbons" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Renders rings with coloured planes" #~ msgid "Simple Wireframe" #~ msgstr "Simple Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renders bonds as wires (lines), ideal for large molecules" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Spheres" #~ msgid "Stick" #~ msgstr "Stick" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Electron density, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgid "Trajectory files" #~ msgstr "Trajectory files" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY files" #~ msgid "Open Trajectory File" #~ msgstr "Open Trajectory File" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adding .avi extension" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Cannot read file format of file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Read trajectory file %1 failed." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Could not determine format from filename: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Cartesian Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesian Editor..." #~ msgid "Cartesian editor" #~ msgstr "Cartesian editor" #~ msgid "Number of atoms: %1" #~ msgstr "Number of atoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Number of rotatable bonds: %1" #~ msgid "Add constraint" #~ msgstr "Add constraint" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Your molecule must contain at least one atom to add a constraint" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgid "&Crystallography" #~ msgstr "&Crystallography" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "&Length Unit" #~ msgstr "&Length Unit" #~ msgid "&Angle Unit" #~ msgstr "&Angle Unit" #~ msgid "&Coordinate Display" #~ msgstr "&Coordinate Display" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinate &Preservation" #~ msgid "&Matrix Display" #~ msgstr "&Matrix Display" #~ msgid "Hide &Editors" #~ msgstr "Hide &Editors" #~ msgid "Show &Editors" #~ msgstr "Show &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Hide &Property Display" #~ msgid "Show &Property Display" #~ msgstr "Show &Property Display" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Space group: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefined" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubic" #~ msgid "Paste Crystal" #~ msgstr "Paste Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reduction failed. The input structure's lattice is confusing the " #~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " #~ "orders of magnitude smaller than the tolerance) to the input lattices and " #~ "try again." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotate To Standard &Orientation" #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Perceive Space&group..." #~ msgstr "Perceive Space &group..." #~ msgid "Set &Spacegroup..." #~ msgstr "Set &Space group..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Unit Cell" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Fill the unit cell using current space group." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduce to &Asymmetric Unit" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&mmetrise Crystal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduce Cell (&Primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Picometre" #~ msgid "&Degree" #~ msgstr "&Degree" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Display &cartesian coordinates" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preserve &Fractional Coordinates During Cell Modification" #~ msgid "Display &cartesian matrix" #~ msgstr "Display &cartesian matrix" #~ msgid "Display &fractional matrix" #~ msgstr "Display &fractional matrix" #~ msgid "Display as &row vectors" #~ msgstr "Display as &row vectors" #~ msgid "Display as &column vectors" #~ msgstr "Display as &column vectors" #~ msgid "&Crystal View Options..." #~ msgstr "&Crystal View Options..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrised into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgid "Set Spacegroup" #~ msgstr "Set Space group" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "There is not a space group set for this document.\n" #~ "\n" #~ "Would you like to set a space group now?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Space group P1 detected -- cannot symmetrise to this space group.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symmetrise Crystal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Wrap Atoms To Cell" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduce to Niggli Cell" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Select tolerance in current cartesian units:" #~ msgid "Crystallography" #~ msgstr "Crystallography" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construct and analyse periodic structures." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Format\n" #~ msgid "Bad Compostion" #~ msgstr "Bad Compostion" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Cartesian Coordinates" #~ msgid "Fractional Coordinates" #~ msgstr "Fractional Coordinates" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Cell Matrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Set Unit Cell Matrix" #~ msgid "Set Unit Cell Params" #~ msgstr "Set Unit Cell Params" #~ msgid "Working..." #~ msgstr "Working..." #~ msgid "Build" #~ msgstr "Build" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cut Slab From Crystal" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Please select one or more atoms." #~ msgid "Trajectory..." #~ msgstr "Trajectory..." #~ msgid "Open chemical file format" #~ msgstr "Open chemical file format" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Open parameter file" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajectory" #~ msgid "Import trajectory files" #~ msgstr "Import trajectory files" #~ msgid "Calculate Energy" #~ msgstr "Calculate Energy" #~ msgid "Conformer Search..." #~ msgstr "Conformer Search..." #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgid "Geometric Optimization" #~ msgstr "Geometric Optimization" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "Genetic Algorithm Search" #~ msgstr "Genetic Algorithm Search" #~ msgid "ForceField" #~ msgstr "ForceField" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." #~ msgstr "&Vector Graphics..." #~ msgid "Common vector image formats" #~ msgstr "Common vector image formats" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vector graphics export" #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" #~ msgid "H to Methyl" #~ msgstr "H to Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transform hydrogens to methyl groups" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insert DNA/RNA chains" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" #~ msgid "Invert Chirality" #~ msgstr "Invert Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Invert chiral centres" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "unknown" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Display standard molecular properties." #~ msgid "Fetch by chemical name..." #~ msgstr "Fetch by chemical name..." #~ msgid "Fetch from URL..." #~ msgstr "Fetch from URL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry to download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL of molecule to download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Specified molecule could not be loaded: %1" #~ msgid "Network Fetch" #~ msgstr "Network Fetch" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." #~ msgid "OrcaExtension Warning" #~ msgstr "OrcaExtension Warning" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " No vibration data found!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Selected displacement data doesn't fit to the actual molecule!" #~ msgid "extended Geometry File" #~ msgstr "extended Geometry File" #~ msgid "Read Orca Outputfile" #~ msgstr "Read Orca Outputfile" #~ msgid "no file found" #~ msgstr "no file found" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Somethings wrong in the file structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Somethings wrong in the file structure - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Something is wrong in the IR output! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Something is wrong in the raman output! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Something is wrong in the orbital energy output! " #~ msgid "No geometry found in file!" #~ msgstr "No geometry found in file!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgid "Could not read file!" #~ msgstr "Could not read file!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyse Orca Output..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Example" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Provides a dialogue box with the words \"H...\"." #~ msgid "ORCA Input Deck" #~ msgstr "ORCA Input Deck" #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "RijCosX option not available for the selected DFT functional!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::No vibration data found!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Image files (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No valid filename was supplied." #~ msgid "Does not compute." #~ msgstr "Does not compute." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray failed to start." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgid "Conformer Properties..." #~ msgstr "Conformer Properties..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Abinit Running." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Not Installed." #~ msgid "The abinit executable cannot be found." #~ msgstr "The abinit executable cannot be found." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit did not start. Perhaps it is not installed correctly." #~ msgid "Running Abinit calculation..." #~ msgstr "Running Abinit calculation..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selection..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selection..." #~ msgid "You must make a selection!" #~ msgstr "You must make a selection!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversion Unavailable" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format Conversion Not Available!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" #~ msgid "Advanced Settings Changed" #~ msgstr "Advanced Settings Changed" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advanced Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgid "Basic Settings Reset" #~ msgstr "Basic Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Deck" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Running." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." #~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Deck Generator Warning" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Input Deck" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Input Deck" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC is already running. Wait until the previous calculation has " #~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC failed to start." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." #~ msgid "Running MOPAC calculation..." #~ msgstr "Running MOPAC calculation..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Crashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem Input Deck" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Input Deck" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Deck" #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Add Named Selection..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selection" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS pattern to select" #~ msgid "There is no current selection." #~ msgstr "There is no current selection." #~ msgid "Add Named Selection" #~ msgstr "Add Named Selection" #~ msgid "Name cannot be empty." #~ msgstr "Name cannot be empty." #~ msgid "There is already a selection with this name." #~ msgstr "There is already a selection with this name." #~ msgid "Selections" #~ msgstr "Selections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Select atoms, bonds, residues..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open a vertex shader source file" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader files (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open a fragment shader source file" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader files (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters file" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters files (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Load and use OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensity (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Density of States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Density of States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Density of States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "No intensities" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualisation." #~ msgid "Activity" #~ msgstr "Activity" #~ msgid "X Axis" #~ msgstr "X Axis" #~ msgid "Y Axis" #~ msgstr "Y Axis" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrared Spectra Settings" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra Settings" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV Settings" #~ msgid "&CD Settings" #~ msgstr "&CD Settings" #~ msgid "&Raman Settings" #~ msgstr "&Raman Settings" #~ msgid "No data" #~ msgstr "No data" #~ msgid "Dark" #~ msgstr "Dark" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Handdrawn" #~ msgid "New Scheme" #~ msgstr "New Scheme" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirm Scheme Removal" #~ msgid "Really remove current scheme?" #~ msgstr "Really remove current scheme?" #~ msgid "Change Scheme Name" #~ msgstr "Change Scheme Name" #~ msgid "Enter new name for current scheme:" #~ msgstr "Enter new name for current scheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spectra Import" #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Data Format" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Load Spectral Data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD file is improperly formatted : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" #~ msgid "Image successfully written to %1" #~ msgstr "Image successfully written to %1" #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" #~ msgid "&Advanced >>" #~ msgstr "&Advanced >>" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrational Analysis" #~ msgid "No vibrational displacements exist." #~ msgstr "No vibrational displacements exist." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." #~ msgid "Super Cell Builder..." #~ msgstr "Super Cell Builder..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" #~ msgid "Molecular Orbitals..." #~ msgstr "Molecular Orbitals..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Electron Density" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculating VdW Cube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculating MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Electrostatic potential surfaces are not yet supported." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculate molecular orbitals and other surfaces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanotube Builder..." #~ msgid "Nanotube Builder" #~ msgstr "Nanotube Builder" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Invalid Nanotube Specification" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgid "Insert Nanotube" #~ msgstr "Insert Nanotube" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Builder" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construct single wall carbon nanotubes." #~ msgid "Building..." #~ msgstr "Building..." #~ msgid "Display point group symmetry." #~ msgstr "Display point group symmetry." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" #~ msgid "Building video " #~ msgstr "Building video " #~ msgid "Could not run mencoder." #~ msgstr "Could not run mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Save VRML rendered files" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connect" #~ msgid "Disconnect" #~ msgstr "Disconnect" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion using Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgid "Debug Information" #~ msgstr "Debug Information" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "File type '%1' is not supported for reading." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "File type for file '%1' is not supported for reading." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Reading molecule with index %1 from file '%2' failed." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "File type '%1' is not supported for writing." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "File type for file '%1' is not supported for writing." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Could not open file '%1' for reading." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Replacing molecule with index %1 in file '%2' failed." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "File %1 cannot be opened for reading." #~ msgid "File %1 can not be opened for writing." #~ msgstr "File %1 can not be opened for writing." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Saving molecular file failed - could not rename original file." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Saving molecular file failed - could not rename new file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Saving molecular file failed - could not remove old file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "File %1 cannot be opened for writing." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Writing conformers to file '%1' failed." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script has no 'Engine' class defined" #~ msgid " - no module" #~ msgstr " - no module" #~ msgid "Unknown Python Extension" #~ msgstr "Unknown Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checking " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script has no 'Extension' class defined" #~ msgid "Unknown Python Tool" #~ msgstr "Unknown Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" #~ msgid "Conformer %1" #~ msgstr "Conformer %1" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Align:" #~ msgid "Everything" #~ msgstr "Everything" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Auto Optimisation Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Steps per Update:" #~ msgid "Algorithm:" #~ msgstr "Algorithm:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molecular Dynamics (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molecular Dynamics (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fixed atoms are movable" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignored atoms are movable" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "x rotation" #~ msgstr "x rotation" #~ msgid "y rotation:" #~ msgstr "y rotation:" #~ msgid "y rotation" #~ msgstr "y rotation" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatic rotation of molecules" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotate Settings" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bond Length: %L1" #~ msgid " Show Angles" #~ msgstr " Show Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Snap-to Threshold: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bond Centric Manipulate" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation of bond lengths, angles, and torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Bond Centric Manipulate Settings" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Angle: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Measure bond lengths, angles, and dihedrals" #~ msgid "Draw Bond" #~ msgstr "Draw Bond" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Draw and edit atoms and bonds" #~ msgid "Draw Settings" #~ msgstr "Draw Settings" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translate, rotate, and adjust atoms and fragments" #~ msgid "Manipulate Settings" #~ msgstr "Manipulate Settings" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translate, rotate, and zoom around the current view" #~ msgid "Navigate Settings" #~ msgstr "Navigate Settings" #~ msgid "Selection Mode:" #~ msgstr "Selection Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Residue" #~ msgid "Add Center of Atoms" #~ msgstr "Add Centre of Atoms" #~ msgid "Change color of the atom" #~ msgstr "Change colour of the atom" #~ msgid "Change label of the atom" #~ msgstr "Change label of the atom" #~ msgid "Change label of the bond" #~ msgstr "Change label of the bond" #~ msgid "Change radius of the atom" #~ msgstr "Change radius of the atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "New Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bond Length" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Angle" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Create/edit a z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Settings" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" #~ msgid "Amino Colors" #~ msgstr "Amino Colours" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" #~ msgid "Axes:" #~ msgstr "Axes:" #~ msgid "Cartesian Axes" #~ msgstr "Cartesian Axes" #~ msgid "Orthogonal Axes" #~ msgstr "Orthogonal Axes" #~ msgid "Axis 1:" #~ msgstr "Axis 1:" #~ msgid "Axis 2:" #~ msgstr "Axis 2:" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" #~ msgid "Origin:" #~ msgstr "Origin:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Preserve vector norms" #~ msgid "Atom Radius:" #~ msgstr "Atom Radius:" #~ msgid "Bond Radius:" #~ msgstr "Bond Radius:" #~ msgid "Shape" #~ msgstr "Shape" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Dipole:" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" #~ msgid "Custom:" #~ msgstr "Custom:" #~ msgid "Width:" #~ msgstr "Width:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off angle:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering Engine:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & Number in Group" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" #~ msgid "Partial charge" #~ msgstr "Partial charge" #~ msgid "Residue number" #~ msgstr "Residue number" #~ msgid "Custom data" #~ msgstr "Custom data" #~ msgid "Change Font" #~ msgstr "Change Font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Bond length" #~ msgid "Bond number" #~ msgstr "Bond number" #~ msgid "Bond order" #~ msgstr "Bond order" #~ msgid "Lines" #~ msgstr "Lines" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opacity:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Fill" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" #~ msgid "Positive" #~ msgstr "Positive" #~ msgid "Negative" #~ msgstr "Negative" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "Animate Trajectory" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractional" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Input #2" #~ msgid "Priroda Input" #~ msgstr "Priroda Input" #~ msgid "Apply Changes" #~ msgstr "Apply Changes" #~ msgid "Cut All" #~ msgstr "Cut All" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgid "(None)" #~ msgstr "(None)" #~ msgid "Sort by " #~ msgstr "Sort by " #~ msgid "Number of atoms:" #~ msgstr "Number of atoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Number of rotatable bonds:" #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torsion angle" #~ msgid "Save" #~ msgstr "Save" #~ msgid "Load" #~ msgstr "Load" #~ msgid "Atomic &identites:" #~ msgstr "Atomic &identites:" #~ msgid "Surface Slab Builder" #~ msgstr "Surface Slab Builder" #~ msgid "Plane:" #~ msgstr "Plane:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller Indices:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Warning: Use non-zero Miller Indices" #~ msgid "Width (x)" #~ msgstr "Width (x)" #~ msgid "Width (y)" #~ msgstr "Width (y)" #~ msgid "Height (z)" #~ msgstr "Height (z)" #~ msgid "length" #~ msgstr "length" #~ msgid "cell repeats" #~ msgstr "cell repeats" #~ msgid "&Translate " #~ msgstr "&Translate " #~ msgid "by arbitrary vector" #~ msgstr "by arbitrary vector" #~ msgid "selected atom to unit cell center" #~ msgstr "selected atom to unit cell centre" #~ msgid "Translation vector:" #~ msgstr "Translation vector:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vector units:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "&Translate" #~ msgid "Crystal View Options" #~ msgstr "Crystal View Options" #~ msgid "Unit Cell Repeats:" #~ msgstr "Unit Cell Repeats:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Draw Unit Cell(s)?" #~ msgid "One" #~ msgstr "One" #~ msgid "All" #~ msgstr "All" #~ msgid "Color..." #~ msgstr "Colour..." #~ msgid "View Along:" #~ msgstr "View Along:" #~ msgid "Default View" #~ msgstr "Default View" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indices" #~ msgid "File Import..." #~ msgstr "File Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Attempt to perceive bonds?" #~ msgid "Setup Force Field" #~ msgstr "Setup Force Field" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Number of steps" #~ msgid "Algorithm" #~ msgstr "Algorithm" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energy (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" #~ msgid "select Fragment" #~ msgstr "select Fragment" #~ msgid "Basic" #~ msgstr "Basic" #~ msgid "Comment" #~ msgstr "Comment" #~ msgid "Frequency" #~ msgstr "Frequency" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "z-Matrix" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrix compact" #~ msgid "Advanced" #~ msgstr "Advanced" #~ msgid "Basis Set" #~ msgstr "Basis Set" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Aux. Basis Set" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "Relativistic" #~ msgstr "Relativistic" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Order" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Corr. Aux. Basis Set" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "Run type" #~ msgstr "Run type" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Basis Sets" #~ msgid "Printlevel" #~ msgstr "Printlevel" #~ msgid "Small" #~ msgstr "Small" #~ msgid "Large" #~ msgstr "Large" #~ msgid "Damping" #~ msgstr "Damping" #~ msgid "Factor" #~ msgstr "Factor" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

select only if no defaults are wanted

" #~ msgid "Accuracy" #~ msgstr "Accuracy" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Levelshift " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "2nd Order" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "max. SCF iterations" #~ msgid "SCF Type" #~ msgstr "SCF Type" #~ msgid "restricted" #~ msgstr "restricted" #~ msgid "unrestricted" #~ msgstr "unrestricted" #~ msgid "restricted open-shell" #~ msgstr "restricted open-shell" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "FinalGrid" #~ msgstr "FinalGrid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Select..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Use full scene antialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Render the molecule directly using command line POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Keep the POV-Ray source after rendering has completed" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Keep POV-Ray source after rendering" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Abinit Input" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduced" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Plane Wave cutoff (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance on forces(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max lattice expansion:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-point shift:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Number of bands:" #~ msgid "# k-point shifts:" #~ msgstr "# k-point shifts:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Double grid PW cutoff (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Occupation scheme:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerance type:" #~ msgid "Wave Function norm" #~ msgstr "Wave Function norm" #~ msgid "Total Potential" #~ msgstr "Total Potential" #~ msgid "Relative Force" #~ msgstr "Relative Force" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing width (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - no moving ions " #~ msgid "1 - viscous damping" #~ msgstr "1 - viscous damping" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS with energy" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrical time steps:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Kinetic Energy smoothing (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Compute..." #~ msgid "Dalton Input" #~ msgstr "Dalton Input" #~ msgid "Basics" #~ msgstr "Basics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Basis Set:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "Diffuse functions" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid Specification" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitioning Scheme:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid Quality:" #~ msgid "coarse" #~ msgstr "coarse" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Radial Scheme:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Show all functionals" #~ msgid "Property:" #~ msgstr "Property:" #~ msgid "Polarizability" #~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" #~ msgid "No. excitations:" #~ msgstr "No. excitations:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Advanced Setup" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Default" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Saddle Point" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiative Transition mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbit" #~ msgid "Finite Electric Field" #~ msgstr "Finite Electric Field" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molecule Charge:" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "Coordinate Type:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Hours" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Weeks" #~ msgstr "Weeks" #~ msgid "Years" #~ msgstr "Years" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Loop" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Next Value" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Initial Guess:" #~ msgstr "Initial Guess:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "Skip" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotate Alpha and Beta Orbitals" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF Natural Orbitals" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN correlation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT Functional:" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "Compute MP2 Properties" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" #~ msgid "Transformation Method" #~ msgstr "Transformation Method" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "Displacement Size:" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequency Scale Factor:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK Input" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK input generated by Avogadro" #~ msgid "Transition State Search" #~ msgstr "Transition State Search" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgid "Run in direct mode:" #~ msgstr "Run in direct mode:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Input" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem Input" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unrestricted" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "yes" #~ msgid "Dispersion:" #~ msgstr "Dispersion:" #~ msgid "Load Shaders" #~ msgstr "Load Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assign Shader" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Font:" #~ msgstr "Font:" #~ msgid "Change Font..." #~ msgstr "Change Font..." #~ msgid "Foreground:" #~ msgstr "Foreground:" #~ msgid "New..." #~ msgstr "New..." #~ msgid "Rename..." #~ msgstr "Rename..." #~ msgid "&Schemes:" #~ msgstr "&Schemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Width:" #~ msgid "&Height" #~ msgstr "&Height" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Use an optimised value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-adjust F&ont Size" #~ msgid "Spectra Tab" #~ msgstr "Spectra Tab" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Width:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength type:" #~ msgid "Energy units:" #~ msgstr "Energy units:" #~ msgid "Density units" #~ msgstr "Density units" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energy: " #~ msgid "States / Cell" #~ msgstr "States / Cell" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Valence electron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energy at zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "Show integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Axis Units:" #~ msgid "Scaling Type:" #~ msgstr "Scaling Type:" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Axes" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Show Spectra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "higher frequency vibrations will show faster movement" #~ msgid "Animation speed set by frequency" #~ msgstr "Animation speed set by frequency" #~ msgid "Display force &vectors" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" #~ msgid "&Recalculate All" #~ msgstr "&Recalculate All" #~ msgid "Default &Quality:" #~ msgstr "Default &Quality:" #~ msgid "Show occupied orbitals first" #~ msgstr "Show occupied orbitals first" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limit orbital precalculations to " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitals around HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Surface Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Low" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "High" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Very High" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "New Display" #~ msgid "Advanced..." #~ msgstr "Advanced..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Length:" #~ msgid "Uni&t:" #~ msgstr "Uni&t:" #~ msgid "periodic units" #~ msgstr "periodic units" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr radii" #~ msgid "nanometers" #~ msgstr "nanometres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap with hydrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgid "Find &double bonds" #~ msgstr "Find &double bonds" #~ msgid "Molecular Symmetry" #~ msgstr "Molecular Symmetry" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Scale (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Smallest sphere (mm): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Thinnest cylinder (mm): " #~ msgid "Calculate Size..." #~ msgstr "Calculate Size..." #~ msgid "Display visual cues" #~ msgstr "Display visual cues" #~ msgid "Python Settings" #~ msgstr "Python Settings" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" OpenChemistry-avogadrolibs-ceb949f/i18n/eo.po000066400000000000000000011174561516317240700212330ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2020 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # phlostically , 2021. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-02-28 14:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Esperanto \n" "Language: eo\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.16.1-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Amasa Tasko #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Neniu mesaĝo estis specifita." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Programeta eligo kun --print-options devas esti JSON-objekto ĉe supra " "nivelo. Riceviĝis la jeno:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Liveriĝis nesignoĉena averto." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Membro 'warnings' ne estas tabelo." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Ne ekzistas referenca dosiero '%1'." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Eraro pri plenigo de dosiero %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Dosiero '%1' estas misformita. Mankas signoĉenaj membroj 'contents' aŭ " "'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Misformita ero pri dosiero: dosiernomo/enhavo mankas aŭ ne estas " "signoĉenoj:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Misformita ero ĉe indico %1: Ne objekto." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "Membro 'files' ne estas tabelo." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Mankas membro 'files'." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Membro 'mainFile' ne referencas eron en 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Membro 'mainFile' devas esti signoĉeno." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Respondo devas esti JSON-objekto ĉe supra nivelo." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Eligo de programeto:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Sintaksa eraro ĉe deŝovo %L1: '%2'\n" "Kruda JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, fuzzy, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Eraro pri skribado de molekula prezento sur signoĉenon: Nekonata " "dosierformo: %1" #: molequeue/inputgenerator.cpp:393 #, fuzzy, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Eraro pri skribado de molekula prezento sur signoĉenon: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Eraro pri generado de cjson-objekto: Sindaksa eraro ĉe deŝovo %1: %2\n" "Kruda JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Eraro pri generado de cjson-objekto: Analizita JSON ne estas objekto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Enigo-Generilo (eraro)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "Enigo-Generilo de %1" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Daŭrigi" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Fermi" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Nekonata" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "La jena dosiero estis modifita:\n" "\n" "%1\n" "\n" "Ĉu superskribi viajn ŝanĝojn por uzi la novajn geometrion aŭ opciojn pri " "tasko?" msgstr[1] "" "La jenaj dosieroj estis modifitaj:\n" "\n" "%1\n" "\n" "Ĉu superskribi viajn ŝanĝojn por uzi la novajn geometrion aŭ opciojn pri " "tasko?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Ĉu superskribi modifitajn enigajn dosierojn?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Okazis problemoj dum generado de enigo:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Neniuj konservotaj eniraj dosieroj!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Ne povas konekti al MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Ne eblas konekti al MoleQueue-servilo. Bonvolu certigi ke ĝi funkcias kaj " "provi denove." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Submeti Kalkulon %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Malsukcesis Tasko" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "La tasko ne finiĝis sukcese." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Programeto liveras avertojn:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Kaŝi Avertojn (&W)" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Montri Avertojn (&W)" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Okazis eraro:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Elektu eligan dosiernomon" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Interna eraro: ne troviĝis teksta fenestraĵo por dosiernomo '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Eliga Eraro" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Malsukcesis skribo sur dosieron %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Elektu eligan dosierujon" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Dosierujo ne ekzistas!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Dosierujo ne estas legebla!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Dosiero estos anstataŭigita." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Dosiero ne estas surskribebla." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "La enigaj dosieroj ne povas esti skribitaj pro nekonata eraro." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "La enigaj dosieroj ne povas esti skribitaj:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "La enigaj dosieroj ne povas esti skribitaj:\n" "\n" "%1\n" "\n" "Avertoj:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Averto:\n" "\n" "%1\n" "\n" "Ĉu daŭrigi?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Skribi sur enigajn dosierojn" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Agordi Taskon" #: molequeue/molequeuedialog.cpp:57 #, fuzzy msgid "Submitting job to MoleQueue…" msgstr "Submetante taskon al MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Templimo de Tasko-Submeto" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro elĉerpis templimon atendante respondon de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, fuzzy, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Atendante finon de tasko %1 '%2'…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Ĉesigi atendon" #: molequeue/molequeuedialog.cpp:106 #, fuzzy msgid "Fetching completed job information…" msgstr "Akirante informojn pri finitaj taskoj…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Elĉerpiĝis Templimo pri Repreno de Tasko" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro elĉerpis templimon atendante detalojn pri finitaj taskoj de " "MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Eraro pri Submeto de Tasko" #: molequeue/molequeuedialog.cpp:130 #, fuzzy, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue rifuzis la taskon: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Neniu programo elektita." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Bonvolu elekti la celitan programon el la listo \"Taskovico kaj Programo\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Kliento malsukcesis submeti taskon al MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Interna eraro." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Ne eblas solvi programan elekton. Jen cimo." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Neniu molekulo agordita en BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Neniu Io::FileFormat agordita en BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Neniu dosiernomo agordita en BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Dividi Horizontale" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Dividi Vertikale" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogeno" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Heliumo" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbono" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogeno" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oksigeno" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluoro" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neono" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnezio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulfuro" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Kloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argono" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titano" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanado" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Kromio" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangano" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Fero" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikelo" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kupro" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinko" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galiumo" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arseno" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Seleno" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kriptono" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobo" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teknecio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Arĝento" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Stano" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimono" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Teluro" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jodo" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenono" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cezio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Prazeodimo" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimo" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Eŭropio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprozio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutecio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalo" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volframo" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Plateno" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Oro" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Hidrargo" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Taliumo" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plumbo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radono" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Franciumo" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radiumo" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kuriumo" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Ejnŝtejnio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laŭrencio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Ruterfordio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seborgio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Boriumo" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hasio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Mejtnerio" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmŝtatio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Rentgenio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernicio" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Teneso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesono" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Foliumi" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Elekti dosieron:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Elekti ruleblaĵon:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Ne troviĝis taŭga dosierlegilo por la elektita dosiero." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Ne troviĝis taŭga dosierskribilo por la elektita dosiero." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "traktiloj" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "trakti" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "legiloj" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "legi" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "skribiloj" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "skribi" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Troviĝis pluro da %1 kiu povas %2 ĉi tiun dosierformon. Kiun uzi?" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Ĉiuj dosieroj" #: qtgui/fileformatdialog.cpp:282 #, fuzzy msgid "All supported formats" msgstr "Ĉiuj subtenataj dosierformoj" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Eraro pri legado de molekula prezento: Nekonata dosierformo: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Eraro pri skribado de molekula prezento sur signoĉenon: Nekonata " "dosierformo: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Eraro pri skribado de molekula prezento sur signoĉenon: %1" #: qtgui/jsonwidget.cpp:101 #, fuzzy msgid "'userOptions' missing." msgstr "'userOptions' mankas aŭ ne estas objekto." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' ne estas signoĉeno por opcio '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titolo" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Dosiernoma Bazo" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Procesorkernoj" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Tipo de Kalkulado" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teorio" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Bazo" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Ŝargo" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Oblo" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Nekonata opciotipo '%1' de opcio '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Eraro pri agordado de aprioro de opcio '%1'. Netaŭga tipo de fenestraĵo." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Eraro pri agordado de aprioro de opcio '%1'. Netaŭga apriora valoro:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Eraro pri agordado de aprioro de opcio '%1'. Ne troviĝis valida kombina " "erindico respondanta al valoro:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Ne pritraktita fenestraĵo en collectOptions por opcio '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[neniu molekulo]" #: qtgui/layermodel.cpp:118 #, fuzzy, qt-format msgid "Layer %1" msgstr "Tavolo %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Pilkoj kaj Bastonoj" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristala Krado" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Forto" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etikedo" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 #, fuzzy msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Glicirizo" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfacoj" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Simetriaj Elementoj" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy #| msgid "Van der Waals (AO)" msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (ĉirkaŭa lumbaro)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drata kadro" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Sentitola" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Krei novan vidon" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Perioda Tabelo" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Eraro pri rulado de programeto '%1 %2': Templimo elĉerpiĝis dum atendado de " "komenco (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Eraro pri rulado de programeto '%1 %2': malsukcesis skribi al ĉefenigujo " "(longo=%3, skribis %4 bajtojn, QProcess-eraro: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Eraro pri rulado de programeto '%1 %2': Templimo elĉerpiĝis dum atendado de " "fino (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Eraro pri rulado de programeto '%1 %2': Nenormala elirstato %3 (%4: %5)\n" "\n" "Eligo:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Malsukcesis lanĉo de programeto." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Programeto kolapsis." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Programeto elĉerpis templimon." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Eraro pri legado." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Eraro pri skribado." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Nekonata eraro." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modifi tavolojn" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Forigi tavolon" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Forigi informojn pri tavolo" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Aldoni tavolon" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Aldoni informojn pri tavolo" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Ŝanĝi tavolon" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Aldoni Atomon" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Forigi Atomon" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Forviŝi Atomojn" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Alĝustigi Hidrogenojn" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Ŝanĝi Elementojn" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Ŝanĝi Elementon" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Ŝanĝi Atoman Hibridiĝon" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Ŝanĝi Formalan Ŝargon de Atomo" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Ŝanĝi Atoman Koloron" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Ŝanĝi atoman tavolon" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Aldoni Ligon" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Forigis Ligon" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Forviŝi Ligojn" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Agordi Ligan Ordon" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Ŝanĝi Ligan Ordon" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Ĝisdatigi Ligojn" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Ĝisdatigi Ligon" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Forigi Unitan Ĉelon" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Redakti Unitan Ĉelon" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Faldi Atomojn en Ĉelon" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Ŝanĝi Ĉelan Volumon" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Konstrui Superĉelon" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli-Redukto" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Turni al Norma Orientiĝo" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Redukti Primitiven" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Konvenciigi Ĉelon" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Simetriigi Ĉelon" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Plenigi Unitan Ĉelon" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Redukti Ĉelon al Nesimetria Unito" #: qtgui/rwmolecule.h:215 #, fuzzy msgid "Change Atom Positions" msgstr "Ŝanĝi Atoman Poziciojn" #: qtgui/rwmolecule.h:225 #, fuzzy msgid "Change Atom Position" msgstr "Ŝanĝi Atoman Pozicio" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 #, fuzzy msgid "Change Selection" msgstr "Ŝanĝi elektojn" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifi Molekulon" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Agordoj" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "HTML-Bloko de 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "Dosiero (&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Eksporti" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "Konstrui (&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Ruli APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Malfermi Eligan Dosieron…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Enigo" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Malfermi Eligan Dosieron" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-Dosiero (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Eneliga Eraro" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Eraro dum legado de struktura dosiero (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Eraro pri OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Eraro dum legado de OpenDX-dosiero: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Eraro pri legado de OpenDX-dosiero: Neniu kubo trovita" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagi kun APBS-utilaĵoj." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Malfermi PDB-Dosieron" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-Dosieroj (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Malfermi PQR-Dosieron" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-Dosieroj (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Eraro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Eraro pri rulado de APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Bonvolu specifi PDB-dosieron" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Sukceso" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Konservi Enigan Dosieron de APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Eniga dosiero skribita al '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Ne povas konservi dosieron %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Laŭ Elemento" #: qtplugins/applycolors/applycolors.cpp:73 #, fuzzy msgid "By Chain" msgstr "Ĉenoj" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Laŭ Parta Ŝargo…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vidi" #: qtplugins/applycolors/applycolors.cpp:153 #, fuzzy msgid "Color Atoms" msgstr "Koloro Atomojn" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "Apliki Koloron" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimize Geometry" msgid "Optimize" msgstr "Optimumigi" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metodo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperaturo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Tempopaŝo:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Paŭzi" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimumigi Geometrion" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molekula Dinamiko" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opakeco" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Montri pluroblajn ligojn" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Montri hidrogenojn" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Montri atomojn kiel sferojn kaj ligojn kiel cilindrojn." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulado pri ligoj" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Ilo por manipulado pri ligoj." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Ilo por redakti molekulan geometrion ŝanĝante longojn kaj angulojn de ligoj." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Ligaj Atomoj" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Forigi Ligojn" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Agordi Ligadon…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Ligo" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Ligado" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Fari ligajn operaciojn." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Maksimuma Distanco:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Etendaĵoj" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Programetoj" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Eraro pri legado de eliga dosiero '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Traktante %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Agordi dosierindikon al Python-interpretilo:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Elektu la Python-interpretilon por lanĉi eksterajn programetojn.\n" "Avogadro devas restarti por efektivigi ŝanĝojn." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Komandprogrametoj" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Ruli eksterajn programetajn komandojn" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Alia…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Kalkuli" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipo" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atomo 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atomo 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atomo 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Redaktilo de Atomaj Koordinatoj… (&C)" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinato-Redaktilo" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Teksta redaktado de atomaj koordinatoj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Ĉu superskribi ŝanĝojn?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "La tekstodokumento estis modifita. Ĉu vi volas forĵeti viajn ŝanĝojn kaj " "aktualigi la molekulon?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Tro malmulte da eroj en linio." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nevalida nomo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nomo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Nevalida simbolo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbolo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atoma Indico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Nevalida atomnumero." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomnumero." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Nevalida koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X-koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Krada koordinato 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Krada koordinato 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Krada koordinato 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Eraro pri geometrio" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Malsukcesis analizi specifon de geometrio. Korektu la elstarigitajn erarojn " "kaj reprovu.\n" "\n" "(Konsilo: Ŝvebigu musmontrilon super ruĝa teksto por priskribo de la eraro.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Redakti Atomajn Koordinatojn" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Laŭmenda" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-dosierformo (simboloj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-dosierformo (nomoj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-dosierformo (atomnumeroj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Kradaj koordinatoj (simboloj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Kradaj koordinatoj (nomoj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Kradaj koordinatoj (atomnumeroj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-dosierformo (simboloj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-dosierformo (nomoj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole-dosierformo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopii" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Eltondi" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 #, fuzzy msgid "&Paste" msgstr "Alglui" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "R&edakti" #: qtplugins/copypaste/copypaste.cpp:87 #, fuzzy msgid "Copy As" msgstr "Kopii kiel" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Eraro pri Tondado de Molekulo" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Eraro pri generado de tonduja dateno." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Eliga dosierformo: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Eraro de legilo:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Eraro pri Algluado de Molekulo" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Ne eblas alglui molekulon: Tondujo malplena!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Eraro pri legado de tonduja dateno." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Trovis dosierformon: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopii kaj alglui" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagi kun la tondujo." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K-enigo" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generi enigon por CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energio" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energio kaj Fortoj" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimumigo de Geometrio" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Elektronstrukturaj metodoj (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekula Mekaniko" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrida kvantuma-klasika (ne jam subtenata)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Konjugaj Gradientoj" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Plej kruta malsupreniro" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "La eniga dosiero estis modifita. Ĉu superskribi viajn ŝanĝojn por uzi la " "novajn geometrion aŭ opciojn pri tasko?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Ĉu superskribi modifitan enigan dosieron?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Konservi enigan dosieron de CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Submeti CP2K-Kalkulon" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importi Kristalon el Tondujo…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Baskuligi Unitan Ĉelon" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Redakti Unitan Ĉelon…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "Faldi Atomojn en Unitan Ĉelon (&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Turni al Norma &Orientiĝo" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Ŝanĝi Ĉelan &Volumenon…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Konstrui &Superĉelon…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Redukti Ĉelon (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "Kristalo (&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Forigi &Unitan Ĉelon" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Aldoni &Unitan Ĉelon" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Importi Kristalon el Tondujo" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Faldi Atomojn en Unitan Ĉelon." #: qtplugins/crystal/crystal.cpp:178 #, fuzzy msgid "Rotate the unit cell to the standard orientation." msgstr "Turni al Norma Orientiĝo" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli-Redukti Kristalon" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "La unita ĉelo jam estas reduktita." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristalo" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Iloj por kristal-specifaj redaktado/analizo." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Montri la limojn de unita ĉelo." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Ne Povas Sintakse Analizi Tekston" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Malsukcesis legi la datenojn laŭ la provizita dosierformo." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Neniu unita ĉelo ĉeestas." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Redaktilo de Unita Ĉelo" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 #, fuzzy msgid "Reassign &Custom Elements…" msgstr "Reasigni Laŭmendajn Elementojn… (&C)" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipuli laŭmendajn elementajn tipojn en la aktuala molekulo." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Laŭmendaj Elementoj" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Desegni" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Desegni Atomon" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Ŝanĝi Ligan Tipon" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Forigi Ligon" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distanco:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Redakta ilo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Aŭtomata" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Unuobla" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Duobla" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triobla" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Elŝuti el PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB-kodo" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Elŝutota kemia strukturo." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Serĉante %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Malsukcesis Reta Elŝuto" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Reta templimo aŭ alia eraro." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specifita molekulo ne troviĝis: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Elŝuti el PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Elŝuti PDB-modelojn el la Proteina Datenbanko" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Montri la fortokampon de la atomoj en la molekulo." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Agordi…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Aŭtomate trovi (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS-enigo" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generi enigon por GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Unu Punkto" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Ekvilibra Geometrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Transira Stato" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvencoj" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Kerna Potencialo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nenio" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gaso" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Akvo" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Unuopo" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Duopo" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triopo" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikatjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Katjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neŭtra" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Konservi enigan dosieron por GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Submeti GAMESS-Kalkulon" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Alĝustigi Hidrogenojn" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Aldoni Hidrogenojn" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Forigi Nenecesajn Hidrogenojn (&X)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "Fo&rigi Ĉiujn Hidrogenojn" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Aldoni/forigi hidrogenojn al/el la aktuala molekulo." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrogenoj" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogenoj" #: qtplugins/importpqr/importpqr.cpp:25 #, fuzzy msgid "&Search PQR…" msgstr "&Serĉi PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importi el PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Elŝuti molekulon el PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "Enmet&i" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Enmeti Molekulon…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 #, fuzzy msgid "Generating 3D molecule…" msgstr "Generante 3D-molekulon…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekulo…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristalo…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Eraro dum legado de dosiero (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importi Kristalon" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Enmeti Fragmenton" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Enmeti Fragmenton" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Enmeti molekulajn fragmentojn por konstrui pli grandajn molekulojn." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Koloro:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Distanca de centro:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 #, fuzzy msgid "Index" msgstr "Indico" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nomo" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 #, fuzzy msgid "Edit Labels" msgstr "Teksta Etikedo" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS-enigo" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generi enigon por LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Ĉu ĝisdatigi la antaŭrigardan tekston, perdante ĉiujn ŝanĝojn faritajn en la " "antaŭrigarda panelo de Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opakeco:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Montri atomojn kiel glicirizon / bastonoj." #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Neniu priskriboj trovitaj!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Troviĝis neniu legilo de liniformo!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Ne eblas ŝargi petitan formolegilon." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Liniforma Enigo" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Ŝargi unulinian molekulan priskribon per eniga dialogo." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuli" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipula ilo" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mezuri" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Duedra:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angulo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Mezura ilo" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekula…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Vidi ĝeneralajn atributojn de molekulo." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Atributoj" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Atributoj de Molekulo" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Atributoj de Molekulo" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-dosieroj (*.csv);;Ĉiuj dosieroj (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Eksporti…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigi" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Naviga ilo" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kemia Nomo" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Retaj Datenbankoj" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagi kun retaj datenbankoj, serĉi strukturojn, ktp." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Agordi Fortokampon…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Trovi Ligojn" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Aldoni hidrogenojn por pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Forigi Hidrogenojn" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 ne troviĝis! Malŝaltante agojn de OpenBabel-kromprogramo." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&OpenBabel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "La OpenBabel-dosierformoj ne pretas aldoniĝi." #: qtplugins/openbabel/openbabel.cpp:206 #, fuzzy msgid "Loading molecule from Open Babel…" msgstr "Ŝargante molekulon el Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Okazis interna eraro: alvokiĝis OpenBabel::readMolecule, sed neniu analizota " "OpenBabel-eligo disponeblas!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Okazis eraro dum rulado de OpenBabel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Eraro pri sintakso de OpenBabel-eligo." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Okazis eraro akirante la liston de subtenataj fortokampoj. (uzante '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekulo ne estas valida. Ne eblas optimumigi geometrion." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Ne eblas optimumigi geometrion per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimumigante Geometrion (OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 #, fuzzy msgid "Generating…" msgstr "Generante…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 #, fuzzy msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Interna eraro okazis generante Open Babel-prezenton de la aktuala molekulo." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, fuzzy, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Lanĉante %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Paŝo %1 el %2\n" "Aktuala energio: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 #, fuzzy msgid "Updating molecule…" msgstr "Ĝisdatigante molekulon…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Eraro pri interpretado de OpenBabel-eligo." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Nombro de atomoj en OpenBabel-eligo (%1) ne kongruas kun la nombro de atomoj " "en la originala molekulo (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Ne eblas malfermi dosieron per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Ne valida molekulo: Ne eblas trovi ligojn." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Trovante Ligojn (per OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:747 #, fuzzy msgid "Generating XYZ representation…" msgstr "Generante XYZ-prezenton…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Eraro pri generado de XYZ-signoĉeno." #: qtplugins/openbabel/openbabel.cpp:765 #, fuzzy, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Konvertante XYZ al Open Babel laŭ %1…" #: qtplugins/openbabel/openbabel.cpp:775 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Ĝisdatigante molekulon laŭ Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Ne eblas aldoni hidrogenojn per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Aldonante Hidrogenojn (OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:833 #, fuzzy msgid "Generating Open Babel input…" msgstr "Generante enigon de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Eraro pri generado de enigo de OpenBabel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, fuzzy, qt-format msgid "Running %1…" msgstr "Rulante %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Aldoni hidrogenojn por pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 #, fuzzy msgid "Generating obabel input…" msgstr "Generante enigon de obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Ne eblas forigi hidrogenojn per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Forigante Hidrogenojn (OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 #, fuzzy msgid "Reading obabel output…" msgstr "Legante eligon de OpenBabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Jam ruliĝas OpenBabel. Atendu la finon de la alia operacio kaj reprovu." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagi kun OpenBabel-utilaĵoj." #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "&OpenMM-Programetoj…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM-enigo" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generi enigon por OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Ĉu ĝisdatigi la antaŭrigardan tekston, perdante ĉiujn ŝanĝojn faritajn en la " "antaŭrigarda panelo de OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Vera" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Montri referencajn aksojn ĉe angulo de la montrejo." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Elŝutante %1 al %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versio" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Priskribo" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Enigo-Generiloj" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Ludilo" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Filmero:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Ĉu dinamika ligado?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Rapido de filmeroj:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " filmeroj en sekundo" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Ludi" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Filmeto (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Eksporti Rastruman Grafikaĵon" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Filmeto (*.mp4);;Filmeto (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Averto pri nombro de filmeroj en GIF-dosiero" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "La GIF-dosierformo ne subtenas filmerojn pli ol po 100 en sekundo." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Filmeto (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Eraro: ne povas aldoni filmeron al filmeto." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Ludila ilo" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reludi trajektorion" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 #, fuzzy msgid "Plot Pair Distribution Function…" msgstr "Desegni Paro-Distribuan Funkcion…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Malsukcesis generado de paro-distribua funkcio" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Erarmesaĝo: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generi kaj dezegni kurbon de paro-distribua funkcio." #: qtplugins/plotxrd/plotxrd.cpp:36 #, fuzzy msgid "Plot Theoretical XRD Pattern…" msgstr "Desegni Teorian Formon de Iksradia Difrakto…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Malsukcesis generado de teoria formo de ikradia difrakto" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Malsukcesis konverti molekulon al dosierformo CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Datenoj legitaj el genXrdPattern ŝajnas koruptitaj!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Eraro: ne troviĝis ruleblaĵo genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Eraro: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generi kaj desegni teorian formon de iksradia difrakto per ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Ĝisdatigi" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Maldensigante %1 al %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Finiĝis traktado de %1 dosieroj\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Maldensigo sukcesis\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Eraro dum maldensigado: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 #, fuzzy msgid "Download Plugins…" msgstr "Elŝuti kromprogramojn…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Elŝuti kromprogramojn" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Elŝuti kromprogramojn el GitHub-deponejoj." #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "PLY-Bildigo…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Konservi Dosieron" #: qtplugins/ply/ply.cpp:69 #, fuzzy msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Teksta dosiero (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Bildigi ĉi tiun scenon per PLY." #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "Bildigi per POV-Ray…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Teksta dosiero (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Bildigi la scenon per POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Formala Ŝargo" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Koloro" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atomo" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Komenca atomo" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Fina atomo" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Liga Ordo" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Longo (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "Ĉenoj" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertico" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Angulo (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Atributoj de Atomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Atributoj de Ligo…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Atributoj de Angulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Atributoj de Tordo…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tabeloj por montri kaj redakti atributojn pri atomo, ligo, angulo kaj tordo." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tabeloj de atributoj" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atributoj de Atomo" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Atributoj de Ligo" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Atributoj de Angulo" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Atributoj de Tordo" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Atributoj de Formizomero" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Montri primitivaĵojn laŭ QTAIM-atributoj" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Molekula Grafo…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Molekula Grafo kun Solaj Paroj…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Atoma Ŝargo…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Malfermi WFN-Dosieron" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-dosieroj (*.wfn);;Ĉiuj dosieroj (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM-etendaĵo" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Kvantuma enigo" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generi enigon por kvantumaj kodoj." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centrigi" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Rektigi Vidon laŭ Aksoj" #: qtplugins/resetview/resetview.cpp:53 #, fuzzy msgid "Align view to axes." msgstr "Rektigi Vidon laŭ Aksoj" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Restarigi vidon" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipuli la kameraon de la vido." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Dosierformoj de Programetoj" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Ŝargi dosierlegilojn/dosierskribilojn el eksteraj programetoj." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Elekti Ĉion" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Elekti Nenion" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inversigi Elekton" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Elekti laŭ Elemento…" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Elekti laŭ Atoma Indico…" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Elekti laŭ restaĵo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Ŝanĝi elektojn" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Elekti (&S)" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Elekti Elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Elekti Atomojn laŭ Indico" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Elektotaj Atomoj:" #: qtplugins/select/select.cpp:446 #, fuzzy msgid "Select Atom" msgstr "Elekti Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Elekti atomojn laŭ restaĵo" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Elektotaj restaĵoj:" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Elekti restaĵo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Elekti" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Elektitaĵo" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Elekta ilo" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy msgid "New Layer" msgstr "Nova Tavolo" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Trovi Spacgrupon…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetriigi" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Redukti al Nesimetria Unito" #: qtplugins/spacegroup/spacegroup.cpp:89 #, fuzzy msgid "Set Tolerance…" msgstr "Agordi Toleron…" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Plenigi Unitan Ĉelon…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Spacgrupo" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Malsukceso" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Trovado de spacgrupo malsukcesis.\n" "Ĉu reprovi laŭ alia tolero?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitiva Redukto" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "La tolero estas aktuale: %1.\n" "Ĉu daŭrigi laŭ tiu tolero?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitiva redukto malsukcesis.\n" "Bonvolu kontroli vian kristalon kaj reprovi laŭ alia tolero." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Malsukcesis konvenciigo de ĉelo.\n" "Bonvolu kontroli vian kristalon kaj reprovi je alia tolero." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetriigo malsukcesis.\n" "Bonvolu kontroli vian kristalon kaj reprovi laŭ alia tolero." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Elektu toleron en Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internacia" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Elekti Spacgrupon" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Spacgrupo" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Funkcioj pri spacgrupoj de kristaloj." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 #, fuzzy msgid "Display spectra plots." msgstr "Montru spektrojn." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektrona" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Energio" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Denso" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volumeno" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetrio" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekula Orbito" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektrona Denso" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(Plejalta okupata MO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(Malplejalta neokupata MO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "El Dosiero" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " el %0" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Krei Surfacojn…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 #, fuzzy msgid "Render a molecular orbital." msgstr "Montri Molekula Orbito." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Kalkulante elektronan denson" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Kalkulante molekulan orbiton %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "AVI-Filmeto (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Eksporti Filmeton" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "MP4-Filmeto (*.mp4);;AVI-Filmeto (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Legi kaj montri surfacojn." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Bildigi ĉi tiun scenon en SVG-dosieron." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Klaso" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetrio…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provizi funkciojn pri simetrio." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Bildigi simetriajn elementojn." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simpla montro de sferoj de Van der Waals." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Ekmovi" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Haltigi Moviĝon" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy msgid "Vibrational Modes…" msgstr "Vibraj Modoj…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibraj" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy msgid "Display vibrational modes." msgstr "Montru vibrajn modojn." #: qtplugins/vrml/vrml.cpp:29 #, fuzzy msgid "VRML Render…" msgstr "VRML-Bildigo…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Teksta dosiero (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Bildigi ĉi tiun scenon per VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Montri molekulon kiel dratan kadron." #: qtplugins/yaehmop/yaehmop.cpp:90 #, fuzzy msgid "Calculate Band Structure…" msgstr "Kalkuli bendostrukturon…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Malsukcesis kalkuli bendostrukturon: mankas unita ĉelo!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, fuzzy, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop kolapsis pro la jena eraro:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Malsukcesis legi eligaĵon pri bendostrukturo el Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Nur unu speciala k-punkto troviĝis en la eligo de Yaehmop! Du aŭ pli estas " "bezonataj!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Malsukcesis lanĉo %1" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Enigo de Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Fari etenditajn Hückel-kalkulojn per Yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formularo" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Agordoj pri Kalkulado" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy msgid "Placeholder text…" msgstr "Lokokupa teksto…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Restarigi" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy msgid "Debug Script…" msgstr "Sencimigi programeton…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Submeti Kalkulon…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Konservi Enigan Dosieron…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Taskovico kaj Programo:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Reŝargi" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Nombro de procesorkernoj rezervotaj por ĉi tiu tasko." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Procesorkernoj:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Forigi forajn labordosierojn post taskofino. Rezultoj " "ankoraŭ estos kopiitaj unue al la loka taskostaplo de MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Forigi forajn dosierojn post fino:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Ŝaltu tion, se vi volas apriore kaŝi ĉi tiun taskon en " "grafika fasado de MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Kaŝi taskon en MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Montri sisteman ŝprucfenestran sciigon kiam ŝanĝiĝas " "la stato de la tasko.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Montri sciigojn pri progreso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Malfermi eligon post fino:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Alinomi Elementojn" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Enmeti Fragmenton…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtri:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Tajpu nomon aŭ parton de nomo por montri nur kongruajn dosierojn." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Enmeti" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "HTML-Kodaĵo por 3DMol" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "Kopii en Tondujon (&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Stir+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Struktura Eniga Dosiero" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generi Enigon per PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB-Dosiero:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Fortokampo:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Ruli PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Ŝargi Ekzistantan PQR-Dosieron" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR-Dosiero:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Eniga Dosiero de APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Konservi Enigan Dosieron" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Ruli APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sukceso!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Ŝargi Strukturan Dosieron" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Ŝargi Kuban Dosieron" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Parta Ŝargo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distanca Tolero:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimuma Distanco:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Bone" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinato-Redaktilo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Antaŭagordo:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Mezurunuo de Distanco:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Anstromo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr-radiuso" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Aranĝo:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specifo de dosierformo. Ĉiu signo indikas valoron " "skribendan por ĉiu atomo:

# - " "Atoma indico (1, 2, ..., numAtoms)
Z - Atomnumero (ekz. \"6\" por karbonon)
G - Atomnumero laŭ GAMESS (ekz. \"6.0\" por " "karbono )
N - Elementa nomo " "(ekz. \"Karbono\")
S - Elementa " "simbolo (ekz. \"C\" por karbono)
x - Pozicia X-koordinato
y " "- Pozicia Y-koordinato
z - " "Pozicia Z-koordinato
a - krada " "'a'-koordinato (nur por kristaloj)
b - krada 'b'-koordinato (nur por kristaloj)
c - krada 'c'-koordinato (nur por kristaloj)
_ - Spaceto (\" \"), utila por rektigo
0 - Cifero 0 (\"0\"), utila por " "optimumigaj opcioj
1 - Cifero 1 " "(\"1\"), utila por optimumigaj opcioj

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Alglui" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Malfari" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Forviŝi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apliki" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K-Enigo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Restarigi Ĉion" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Aprioroj" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Konservi Dosieron…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Baza Agordo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titolo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Dosiernoma Bazo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "tasko" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kalkuli:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Baza aro:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funkcionalo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipo de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Alfa de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy msgid "Poisson EWALD GMAX" msgstr "GMAX de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Dosiera etendaĵo por konverti al OpenBabel (apriore - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametroj pri Superĉelo" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcioj pri Superĉelo" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A-ripeto:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B-ripeto:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C-ripeto:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Ĉela Matrico:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Frakcia Matrico:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformi Atomojn" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apliki" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "Malfa&ri" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "Kaŝi (&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Ŝanĝi Volumenon de Unita Ĉelo" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Nova &Volumeno:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Skala Faktoro:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Aktuala Volumeno:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Teksta Etikedo" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Liga Ordo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametroj pri Geometria Optimumigo" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriterioj pri Konverĝo" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Energy convergence:" msgstr "Energia konverĝo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limo de paŝoj:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unuoj" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " paŝoj" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimumiga Metodo" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Fortokampo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Aŭtomate trovi" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS-Enigo" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "En:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Oblo:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Kun:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Ŝargo:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy msgid "Import From PQR…" msgstr "Importi el PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Serĉi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nomo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etikedo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formulo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "InChI" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Serĉi laŭ: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formulo:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Elŝuti" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nomo:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Alia" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Unuobla" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Duobla" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS-Enigo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Komentoj de eniga dosiero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Elektu la stilon de mezurunuoj uzotaj dum la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Mezurunuoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "Lennard-Jones" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "reala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "SI" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "CGS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektrona" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Akva Potencialo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Elekti atoman stilon uzita de la datendosiero." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atoma Stilo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atoma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ligo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "ŝargo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dupoluso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoido" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "plena" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linio" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "mezoskala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekula" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "pridinamika" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "ondopaketo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specifu la nomon uzotan por la koordinata dosiero." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordinata Datendosiero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemblo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperaturo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Elektu la nombron de Nosé-Hoover-ĉenoj en la NVT-ensemblo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH-Ĉenoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Tempopaŝo por la simulado en mezurunuoj laŭ la specifo de \"Mezurunuoj\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Tempopaŝo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Dosiernomo de la XYZ-dosiero skribota dum la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Deponi XYZ-dosieron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Nombro de dimensioj en la sistemo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensioj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Ŝanĝi stilon de Z-limo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Ŝanĝi stilon de Y-limo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Ŝanĝi stilon de X-limo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Elekti stilojn de la limoj laŭ X-, Y-, kaj Z-direktoj." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Limo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Nombro de replikaĵoj en la X-, Y-, kaj Z-direktoj." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Repliki" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Repliki la X-direkton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Repliki la Y-direkton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Repliki la Z-direkton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Totala nombro de tempopaŝoj por la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Totala Nombro de Paŝoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Deponi Intervalon" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Agordi la komencajn atomajn rapidojn por la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Komencaj Rapidoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Elekti la distribuon de komencaj atomaj rapidoj." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaŭsa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "unuforma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Agordi la komencajn atomajn rapidojn laŭ ĉi tiu temperaturo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Subtrahi de komencaj rapidoj sisteman movokvanton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Nul Movokvanto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Subtrahi de komencaj rapidoj sisteman momanton de movokvanto." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nul Momanto de Movokvanto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Regi la termodinamikan eligon dum la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Eligo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Eligo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Stilo de termodinamika eligo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Unu Linio" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Pluraj Linioj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Uzi Formularon" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Generate…" msgstr "Generi…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Priskribo:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy msgid "Method" msgstr "Metodo" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Konverĝo:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimumiga algoritmo:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tekniko de linia serĉado:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Plej Kruta Malsupreniro" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjuga Gradiento" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simpla" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Neŭtona Metodo" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limigi Neligajn Interagojn" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Trunkiga distanco de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Ofteco de para ĝisdatigo:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "Elektrostatika trunkiga distanco:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energia\" konverĝo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Konstruilo de OpenMM-Programetoj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Taska programeto:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "programeto" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Enigaj Koordinatoj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Eniga Topologio:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Fortokampo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Akva Modelo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicita Solvanto (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platformo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referenco" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "Ĉefprocesoro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precizo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "unuobla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "miksita" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "duobla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Aparata Indico:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL-Platforma Indico:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Neliga metodo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Neniu Trunkigo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Neperioda Trunkigo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Perioda Trunkigo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald-Tolero:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Limigoj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HLigoj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "ĈiujLigoj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAnguloj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolero de Limigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigida akvo?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Malvera" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Neliga trunkigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Hazarda komenca rapido:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Genera Temperaturo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrilo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brown-a" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Varia Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Varia Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolero de Eraro:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Ofteco de kolizioj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Premkonstantigilo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Montekarla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Premo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo de Premkonstantigado" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Raportantoj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Stata Dateno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Raporti Intervalon:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy msgid "Equilibration Steps:" msgstr "Paŝoj de Ekvilibrigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Paŝoj de Produktado:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Ĉu minimumigi?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maksimuma nombro de paŝoj por minimumigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opcioj pri Stata Dateno:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Paŝa Indico" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Rapido" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progreso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potenciala Energio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kineta Energio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Totala Energio" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opcioj pri PDF-Desegno" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maksimuma Radiuso:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Paŝo (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opcioj pri Teoria Iksradia Difrakto" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

La plilarĝiĝo de la pinto ĉe la bazo (en gradoj).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

La maksimuma valoro de 2θ en gradoj.

Aprioro: " "162,00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

La plilarĝiĝo de la pintoj ĉe la bazo en gradoj.

Aprioro: 0,52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Nombro de punktoj:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Larĝo de pinto:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Ondolongo:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

La iksradia ondolongo en anstromoj.

Aprioro: " "1,50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

La nombro de generotaj 2θ-punktoj.

Aprioro: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Elŝuti Elektitaĵon" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radiuso de Krita Punkto:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radiuso de Liga Vojo:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalenta" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstanta Grando" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apliki Koloron" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Skala Faktoro:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Larĝo de pinto:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Eksporti datumojn" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy msgid "&Close" msgstr "Fermi" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Malgrandega" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Malgranda" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Meza" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Granda" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Grandega" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Krei Surfacojn" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surfaco:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Kolorigi laŭ:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Distingivo:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Izosurfaca Valoro:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Kalkuli" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #, fuzzy msgid "Record Movie…" msgstr "Registri Filmeton…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekulo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Simetrie ekvivalentaj atomoj:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Ŝlosi Simetrion" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operacioj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Simetriaj elementoj:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupoj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupoj:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolero:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Strikta" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Malstrikta" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Malstriktega" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Trovi Simetrion" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Centrigi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Formala Ŝargo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupoj" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibraj Modoj" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitudo:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Bendo de Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Minimuma y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

La Fermi-nivelo estu konata antaŭ ol elekti ĉi tiun " "elektobutonon. Vi povas trovi la Fermi-nivelon kalkulante la statodenson kaj " "montrante la datenojn (ĝi estos supre de la datenoj). Krome, se la " "statodenso kalkuliĝos, la Fermi-nivelo ĉi tie aŭtomate agordiĝos al tiu, kiu " "estis trovita dum la kalkulo de la statodenso.

Se ĉi tiu elektobutonon " "estas elektita, certigu, ke la ĝusta Fermi-nivelo estas starigita en la " "dekstra kampo.

Implicite: malŝaltita

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Ĉu montri Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Ĉu mezuri energiojn relative al la Fermi? Nur havebla, " "se la Fermi-nivelo estas montrota.


Implicite: ne

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Ĉu nulo ĉe Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "# of k-points connecting special k-points:" msgstr "Nombro de k-punktoj ligantaj specialajn k-punktojn:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Specialaj k-punktoj" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Maksimuma y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

La Fermi-Nivelo

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Tajpu specialajn k-punktojn jene:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

T.e. ‹simbolo› ‹x› ‹y› ‹z› en " "kiu x, y, kaj z estas fractional reciprocal space coordinates. Linioj " "desegniĝos konektante ĉi tiujn k-punktojn sur la grafo laŭ la ordo, laŭ kiu " "vi metis ilin. Bonvolu noti, ke la orientiĝo de via ĉelo povas efiki sur la " "lokojn de ĉi tiuj reciprokspacaj punktoj.

Se la spacgrupo de la " "kristalo estis trovita aŭ starigita, la specialaj k-punktoj aŭtomate " "pleniĝos per la altsimetriaj punktoj de la primitiva ĉelo por tiu spacgrupo. " "Ekzistas kelkaj spacgrupoj kun malsamaj altsimetriaj punktoj depende de la " "krado (ekz. se a > b aŭ a < b) — tio estas aŭtomate konsiderata.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Tajpu la nombron da k-punktoj, kiuj ligos la " "specialajn k-punktojn. Pli da ĉi tiuj k-punktoj glatigos la grafikon, sed la " "kalkulo eble daŭros pli longe.

Implicite: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Ĉu limigi la valorojn de y en la montraĵo?

Implicite: ne

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Ĉu limigi y?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

La nombro de periodaj dimensioj.


Se " "ĝi estos 1, la materio estos perioda laŭ la A-vektoro de la kristalo.


Se ĝi estos 2, la materio estos perioda laŭ la A- kaj B-" "vektoroj de la kristalo.


Se ĝi estos 3, la materio estos " "perioda laŭ la A-, B-, kaj C-vektoroj de la kristalo.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Number of Dimensions:" msgstr "Nombro de Dimensioj:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Ĉu montri enigon de Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "phlostically" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "phlostically@example.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Opcio '%1' ne referencas objekton." #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Eraro: valoro de ŝlosilo '%1' devas esti objekto." #, fuzzy #~ msgid "Edit Color Opacity Map…" #~ msgstr "Redakti Mapon de Kolora Opakeco…" #~ msgid "ColorOpacityMap" #~ msgstr "Mapo de Kolora Opakeco" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "Redakti mapon de kolora opakeco, ĉefe por volumena bildigo." #~ msgid "Volume Rendering" #~ msgstr "Volumena Bildigo" #~ msgid "Cube" #~ msgstr "Kubo" #~ msgid "Enable volume rendering" #~ msgstr "Ŝalti volumenan bildigon" #~ msgid "Enable surface rendering" #~ msgstr "Ŝalti surfacan bildigon" #~ msgid "Isovalue" #~ msgstr "Izovaloro" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, fuzzy, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Anguloj:" #, fuzzy #~ msgid " °" #~ msgstr " °" #, fuzzy #~| msgid " eV" #~ msgid "eV" #~ msgstr " eV" #~ msgid "Cancel" #~ msgstr "Nuligi" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #, fuzzy #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgid "Reference Axes Overlay" #~ msgstr "Surmeto de Referencaj Aksoj" #~ msgid "Meshes" #~ msgstr "Maŝoj" #, fuzzy #~ msgid "Plot RMSD curve…" #~ msgstr "Desegni RMSD-kurbon…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generi kaj desegni RMSD-kurbon." #~ msgid "Max 2*theta:" #~ msgstr "Maksimuma 2θ:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tabeloj por montri kaj redakti atributojn pri atomo, ligo, angulo kaj " #~ "tordo." #~ msgid "&Analysis" #~ msgstr "&Analizo" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "…" #, fuzzy #~| msgid "&Import" #~ msgid "&Import..." #~ msgstr "&Importi..." #, fuzzy #~| msgid "&Export" #~ msgid "&Export..." #~ msgstr "&Eksporti..." #, fuzzy #~| msgid " eV" #~ msgid "eV)" #~ msgstr " eV" #~ msgid "Partial Charge" #~ msgstr "Parta Ŝargo" #, fuzzy #~| msgid "Stop Animation" #~ msgid "Animation Tool" #~ msgstr "Haltigi Moviĝon" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simpla montrado de sferoj de Van der Waals per ĉirkaŭa lumbaro." #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Optimumigi Geometrion" #~ msgid "Add Unit Cell" #~ msgstr "Aldoni Unitan Ĉelon" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Elekti laŭ Atoma Indico…" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distanco:" #, fuzzy #~| msgid "Select by Atom Index..." #~ msgid "Select Water…" #~ msgstr "Elekti laŭ Atoma Indico…" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopii" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekulo" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulmaso (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kemia Formulo:" #~ msgid "Number of Atoms:" #~ msgstr "Nombro de Atomoj:" #~ msgid "Number of Bonds:" #~ msgstr "Nombro de Ligoj:" #~ msgid "TODO" #~ msgstr "FAROTA" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Larĝo de pinto:" #, fuzzy #~ msgid "In." #~ msgstr "En:" #~ msgid "ABPS Input (*.in)" #~ msgstr "APBS-Enigo (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Elektu la Python-interpretilon por lanĉi enigo-generajn programetojn.\n" #~ "Avogadro devas restarti por efektivigi ŝanĝojn." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Agordi Dosierindikon al Python…" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento…" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funkcionalo" #~ msgid "Help..." #~ msgstr "Helpo…" #~ msgid "Submit Calculation..." #~ msgstr "Submeti Kalkulon…" #~ msgid "Save File..." #~ msgstr "Konservi Dosieron…" #~ msgid "Download Plugins..." #~ msgstr "Elŝuti kromprogramojn…" #~ msgid "Record Movie..." #~ msgstr "Registri Filmeton…" #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Alia…" #~ msgid "Client server operations." #~ msgstr "Klientaj servilaj operacioj." #~ msgid "S&erver" #~ msgstr "S&ervilo" #~ msgid "Connection failed" #~ msgstr "Konekto malsukcesis" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "Malsukcesis la konekto al %2:%3: konekto rifuzita." #~ msgid "Remote service error" #~ msgstr "Eraro pri fora servo" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Konekto malsukcesis pro jena eraro: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Klienta servilo" #~ msgid "Connection refused" #~ msgstr "Konekto rifuzita" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Sukcesis konekto al %2:%3!" #~ msgid "Filename" #~ msgstr "Dosiernomo" #~ msgid "Formula" #~ msgstr "Formulo" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "MongoChem-Servilo" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interfaco al MongoChem-Servilo." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Ŝargi Strukturan Dosieron" #~ msgid "&Hostname:" #~ msgstr "Servilonomo (&H):" #~ msgid "Port" #~ msgstr "Pordo" #~ msgid "Test C&onnection..." #~ msgstr "Testi K&onekton…" #~ msgid "Look in:" #~ msgstr "Serĉi en:" #~ msgid "Navigate Back" #~ msgstr "Navigi Malantaŭen" #~ msgid "Navigate Forward" #~ msgstr "Navigi Antaŭen" #~ msgid "Navigate Up" #~ msgstr "Navigi Supren" #~ msgid "File name:" #~ msgstr "Dosiernomo:" #~ msgid "Files of type:" #~ msgstr "Dosierformo:" #~ msgid "MongoChem Config" #~ msgstr "Agordo de MongoChem" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API-Ŝlosilo:" #~ msgid "Base URL:" #~ msgstr "Baza retadreso:" #~ msgid "Config" #~ msgstr "Agordo" #~ msgid "Upload" #~ msgstr "Alŝuti" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Singularity" #~ msgid "Container:" #~ msgstr "Ujo:" #~ msgid "Image:" #~ msgstr "Diskokopio:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"theory\": \"dft\",

\n" #~ "

\"functional\": \"b3lyp\",

\n" #~ "

\"basis\": \"6-31g\",

\n" #~ "

\"task\": \"energy\"

\n" #~ "

}

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"theory\": \"dft\",

\n" #~ "

\"functional\": \"b3lyp\",

\n" #~ "

\"basis\": \"6-31g\",

\n" #~ "

\"task\": \"energy\"

\n" #~ "

}

" #~ msgid "Input Parameters:" #~ msgstr "Enigaj Parametroj:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nomo de elemento." #~ msgid "'c' coordinate." #~ msgstr "Krada koordinato 'c'." #~ msgid "Error: could not find yaehmop executable!" #~ msgstr "Eraro: ne troviĝis ruleblaĵo Yaehmop!" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Duedra:" #~ msgid "Layer" #~ msgstr "Tavolo" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Enmeti Molekulon…" #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "Generante 3D-molekulon…" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Dosiero ekzistas kaj ne estas surskribebla." #, fuzzy #~ msgid "Simple display of Cartoons family." #~ msgstr "Simpla montro de sferoj de Van der Waals." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Eraro pri interpretado de CML-eligo de OpenBabel." #~ msgid "Error generating CML data." #~ msgstr "Eraro pri generado de CML-datenoj." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "Ruli APBS" #, fuzzy #~ msgid "Open Output File..." #~ msgstr "Malfermi Eligan Dosieron" #~ msgid "Edit Unit Cell..." #~ msgstr "Redakti Unitan Ĉelon…" #~ msgid "&Import From PQR" #~ msgstr "&Importi el PQR" #~ msgid "Crystal..." #~ msgstr "Kristalo…" #, fuzzy #~ msgid "Write" #~ msgstr "skribi" #~ msgid "SMILES..." #~ msgstr "SMILES…" #~ msgid "InChI..." #~ msgstr "InChI…" #~ msgid "Add Hydrogens for pH..." #~ msgstr "Aldoni Hidrogenojn por pH…" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Atributoj de Atomo" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Atributoj de Ligo" #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Atributoj de Angulo" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Atributoj de Tordo" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Detaloj pri Simetrio…" #~ msgid "Create Surfaces..." #~ msgstr "Krei Surfacojn…" #~ msgid "Symmetry..." #~ msgstr "Simetrio…" #~ msgid "&Exit" #~ msgstr "&Eliri" #~ msgid "Ctrl+E" #~ msgstr "Stir+E" #~ msgid "Insert Fragment..." #~ msgstr "Enmeti Fragmenton…" #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opcio '%1' ne troviĝas en 'userOptions'." #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' mankas aŭ ne estas objekto:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teorio:" #~ msgid "Default value missing for option '%1'." #~ msgstr "Apriora valoro mankas pri opcio '%1'." #~ msgid "Distance: %L1 Å" #~ msgstr "Distanco: %L1 Å" #~ msgid "Rotatable" #~ msgstr "Turnebla" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Formizomero %1\n" #~ "Longo %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Formizomero %1\n" #~ "Angulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angulo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Formizomero %1\n" #~ "Tordo %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Tordo %1" #~ msgid "Torsion" #~ msgstr "Tordo" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energio (kJ/mol)" #~ msgid "Yes" #~ msgstr "Jes" #~ msgid "No" #~ msgstr "Ne" #~ msgid "Reset to Default Values" #~ msgstr "Restarigi Apriorajn Valorojn" #~ msgid "Write files to disk..." #~ msgstr "Skribi dosierojn sur diskon…" #~ msgid "&Quantum" #~ msgstr "Kvantuma (&Q)" #~ msgid "Import" #~ msgstr "Importi" #~ msgid "Insert SMILES" #~ msgstr "Enmeti SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Enmeti SMILES-fragmenton:" #~ msgid "Insert Crystal" #~ msgstr "Enmeti Kristalon" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Enmeti molekulajn fragmentojn por konstrui pli grandajn molekulojn" #~ msgid "Plugin Downloader" #~ msgstr "Kromprogramo-Elŝutilo" #~ msgid "E&xtensions" #~ msgstr "Etendaĵoj (&X)" OpenChemistry-avogadrolibs-ceb949f/i18n/es.po000066400000000000000000014710321516317240700212300ustar00rootroot00000000000000# Spanish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # M3CG , 2021, 2022. # J. Lavoie , 2021. # Aritz Erkiaga , 2022. # Andrés Henao , 2022, 2023. # gallegonovato , 2022, 2023, 2024. # William , 2022. # Alejandro Díaz-Moscoso , 2023. # Weblate Translation Memory , 2025. # Saúl Palacios , 2025. # LibreTranslate , 2025. # Adrian Lopez , 2025. # Armando Castro , 2025. # Eisuke Kawashima , 2025, 2026. # Javier Cerezo , 2026. # "Juan E. Arias Martinez" , 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-28 05:09+0000\n" "Last-Translator: \"Juan E. Arias Martinez\" \n" "Language-Team: Spanish \n" "Language: es\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Lote de Tareas Número %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Mensaje no especificado." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "La salida de la secuencia de comandos «opciones de impresión» debe contener " "un objeto JSON como elemento raíz. Recibido:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Se devolvió un aviso que no es una cadena de texto." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "miembro «warnings» no está en forma de matriz." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "El archivo de referencia %1 no existe." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Error al poblar el archivo %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "El archivo «%1» se encuentra mal formado. Faltan partes de las cadenas de " "texto «contents» o «filePath»." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entrada de archivo mal formada: falta nombre de archivo o contenido, o estos " "no son cadenas de texto:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entrada de archivo mal formada en índice %1: No es un objeto." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "miembro «files» no está en forma de matriz." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Falta miembro «files»." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "miembro «mainFile» no hace referencia a una entrada en «files»." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "miembro «mainFile» debe ser una cadena de texto." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "La respuesta debe ser un objeto JSON en su elemento raíz." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Salida de la secuencia de comandos:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error de análisis en posición %L1: «%2»\n" "JSON en bruto:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error al guardar representación de molécula como cadena de texto: Formato de " "archivo no reconocido: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error al guardar representación de molécula como cadena de texto: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error al generar objeto cjson: Error de lectura linea por linea en posición " "%1: %2\n" "JSON en bruto:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error al generar objeto cjson: El JSON analizado no es un objeto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Generador de Entrada (error)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "Generador de Entrada %1" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Cerrar" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Desconocido" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "El siguiente archivo ha sido modificado:\n" "\n" "%1\n" "\n" "¿Desea sobrescribir los cambios para reflejar la nueva geometría u opciones " "de tarea?" msgstr[1] "" "Los siguientes archivos han sido modificados:\n" "\n" "%1\n" "\n" "¿Desea sobrescribir los cambios para reflejar las nueva geometrías u " "opciones de tarea?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "¿Sobrescribir archivos de entrada modificados?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Ocurrieron problemas durante la generación de entradas:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "¡No hay archivos de entrada que guardar!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "No se pudo conectar con MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "No se pudo conectar con el servidor MoleQueue. Por favor asegúrese de que se " "está ejecutando e intentelo de nuevo." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Enviar Cálculo %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Tarea Fallida" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "La tarea no se completó con éxito." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "La secuencia de comandos devuelve avisos:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Ocultar &Avisos" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Mostrar &Avisos" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Se ha producido un error:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Seleccione nombre de archivo de salida" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Error interno: no se pudo encontrar una aplicación de texto con el nombre de " "archivo «%1»" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Error de Salida" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Fallo al escribir en el archivo %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Seleccionar directorio de salida" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: ¡El directorio no existe!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: ¡El directorio no se puede leer!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: El archivo será sobrescrito." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: El archivo no se puede escribir." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Los archivos de entrada no se pueden escribir debido a un error desconocido." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Los archivos de entrada no se pueden escribir:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Los archivos de entrada no se pueden escribir:\n" "\n" "%1\n" "\n" "Avisos:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Aviso:\n" "\n" "%1\n" "\n" "¿Desea continuar?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Escribir archivos de entrada" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configurar Tarea" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Enviando tarea a MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "El Envío de la Tarea alcanzó el Tiempo Límite" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" "Avogadro alcanzó el tiempo límite de espera para la respuesta de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Esperando a que se complete la tarea %1 «%2»…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Dejar de esperar" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Recabando información de tarea completada…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "La Recepción de la Tarea alcanzó el Tiempo Límite" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro alcanzó el tiempo límite de espera para los detalles de tarea " "completada de MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Error al Enviar Tarea" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "La tarea ha sido rechazada por MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No hay programa seleccionado." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Por favor, seleccione el programa deseado de la lista «Lista de Espera y " "Programa»." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "El cliente no logró enviar la tarea a MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Error interno." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "No se pudo resolver la selección de programa. Se trata de un error." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "¡No hay molécula establecida en «BackgroundFileFormat»!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "¡«Io::FileFormat» no establecido en «BackgroundFileFormat»!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" "¡No se ha establecido ningún nombre de archivo en «BackgroundFileFormat»!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Dividir Horizontalmente" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Dividir Verticalmente" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrógeno" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helio" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrógeno" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxígeno" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neón" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Azufre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argón" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potasio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escandio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadio" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Cromo" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Hierro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galio" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsénico" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kriptón" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estroncio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecnecio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Plata" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Estaño" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telurio" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Yodo" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenón" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutecio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalio" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsteno" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Oro" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercurio" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talio" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plomo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radón" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francio" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curio" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einstenio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurencio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrio" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicio" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Teneso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesón" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Examinar" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Seleccionar archivo:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Seleccionar ejecutable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "No se pudo hallar un lector de archivos adecuado para el archivo " "seleccionado." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Falta la extensión de archivo, por lo que no se puede determinar el formato. " "¿Desea añadirlo?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "No se pudo hallar un escritor de archivos adecuado para el formato de " "archivo seleccionado." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipuladores" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "manipular" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lectores" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "leer" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "escritores" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "escribir" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Múltiples %1 hallados capaces de %2 este formato de archivo. ¿Cuál se " "debería usar?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Todos los archivos" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Todos los formatos soportados" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Error al leer la representación de la molécula: Formato de archivo no " "reconocido: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "Mensaje %1" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Advertencia" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Error" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error al escribir la representación de la molécula a cadena de texto: " "Formato de archivo no reconocido: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" "Error al escribir la representación de la molécula a cadena de texto: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "«userOptions» no encontradas." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "No se encontró la opción «%1»." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "«type» no es una cadena de texto para la opción «%1»." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Nombre de archivo Base" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Núcleos del Procesador" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memoria" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Tipo de Cálculo" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teoría" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Carga" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicidad" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Disolvente" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Modelo" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Nombre de Usuario" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Contraseña" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Opción de tipo «%1» no reconocida para la opción «%2»." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Error al establecer el valor por defecto para la opción «%1». Tipo de " "aplicación incorrecto." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Error al establecer el valor predeterminado para la opción «%1». Valor " "predeterminado incorrecto:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error al establecer el valor predeterminado para la opción «%1». No se " "encontró un índice de entrada combinado válido para el valor:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Aplicación no incluída en «collectOptions» para la opción «%1»." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[sin molécula]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Capa %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola y Varilla" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Esquemático" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Cerrar Contactos" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Red del Cristal" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Fuerza" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Etiquetas" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Regaliz" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superficies" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "No covalente" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementos de Simetría" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volúmenes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Armazón de alambre" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Ejes de Referencia" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Sin título" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Editar molécula" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "No guardado" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Crear una nueva vista" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabla periódica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Extensión «Package mode» requiere «pixi» pero no se pudo encontrar." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: Se agotó el tiempo de " "espera para comenzar (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: Fallo al escribir en " "stdin (len=%3, escribió %4 bytes, error de QProcess: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: se agotó el tiempo de " "espera para finalizar (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: Estatus de salida " "anormal %3 (%4: %5)\n" "\n" "Salida:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Advertencia '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Error al escribir solicitud en bruto al guion stdin (len=1%, escribió %2 " "bits, error de QProcess: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Fallo al iniciar la secuencia de comandos." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "La secuencia de comandos colapsó." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "La secuencia de comandos agotó el tiempo de espera." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Error de lectura." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Error de escritura." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Error desconocido." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificar Capas" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Eliminar Capas" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Eliminar Información de la Capa" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Añadir Capa" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Añadir Información de la Capa" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Cambiar Capa" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Añadir Átomo" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Eliminar Átomo" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Limpiar Átomos" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajustar Hidrógenos" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Cambiar Elementos" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Cambiar Elemento" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Cambiar Hibridación de un Átomo" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Cambiar Carga Formal de un Átomo" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Cambiar Color de un Átomo" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Cambiar Color del Residuo" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Cambiar Capa de un Átomo" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Añadir Enlace" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Remover Enlace" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Eliminar Enlaces" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Establecer Órdenes de Enlace" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Cambiar Orden de Enlace" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Actualizar Enlaces" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Actualizar Enlace" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Añadir celda unidad…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Eliminar Celda Unidad" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Editar Celda Unidad" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Envolver Átomos en Celda" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Escalar el Volumen de la Celda" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Construir Súper Celda" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Reducción de Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rotar a la Orientación Estándar" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reducir a una Celda Primitiva" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Convencionalizar Celda" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Dar Simetría a la Celda" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Llenar Celda Unidad" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "Llenar Copias Translacionales" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reducir Celda a una Unidad Asimétrica" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Cambiar las Posiciones de los Átomos" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Cambiar la Posición de un Átomo" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Cambiar la Etiqueta de un Átomo" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Etiqueta cambio de enlace" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Cambiar Selección" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificar Molécula" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Configuración" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Calculando…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Falta menos de un segundo" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "Falta %n segundo" msgstr[1] "Faltan %n segundos" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "Falta %n minuto" msgstr[1] "Faltan %n minutos" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "Falta 1 hora y %n minuto" msgstr[1] "Falta 1 hora y %n minutos" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "Falta %n hora" msgstr[1] "Faltan %n horas" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloque HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Archivo" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Cambiar elementos…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construir" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alquimia" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Cambiar elementos de átomos." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Alinear" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Alinear Moléculas\n" "\n" "Botón Izquierdo del Ratón:\tSeleccione hasta dos átomos.\n" "\tEl primer átomo se centra en el origen.\n" "\tEl segundo átomo está alineado con el eje seleccionado.\n" "Botón Derecho del Ratón:\tCambiar la alineación.\n" "Doble clic:\tCentrar el átomo en el origen." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Eje:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Alinear en el Origen" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Alinear con el Eje" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centrar el átomo en el origen." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotar la molécula para alinear el átomo con el eje especificado." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Herramienta de alineación" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinear moléculas a un eje Cartesiano" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Ejecutar APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Abrir Archivo de Salida…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Entrada" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Abrir Archivo de Salida" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Archivo OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Error de E/S" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error de lectura del archivo de estrucutura (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Error de OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error de lectura del archivo OpenDX: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Error de lectura del archivo OpenDX: No se encontró ningún cubo" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interacciona con utilidades APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Abrir Archivo PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Archivos PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Abrir Archivo PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Archivos PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error ejecutando APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Por favor, especifique archivo PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Éxito" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "%1 generado" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Error al ejecutar PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Guardar Archivo de Entrada APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Archivo de Entrada APBS (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Archivo de entrada escrito en '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "No se puede guardar el archivo %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Por Color Personalizado…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Por índice atómico…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Por distancia…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Por Elemento" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Por Cadena" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Por Carga Parcial…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Por Estructura Secundaria" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Por Aminoácido" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Por Esquema de Forma" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Calor" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Caliente" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Gris" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Infierno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Espectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Templado" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Equilibrar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Azúl-Rojo Oscuro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Aplicar esquemas de color a átomos y residuos." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Ver" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Átomos coloreados" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Residuos Coloreados" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Seleccionar Mapa de Color" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Mapa de Color:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Aplicar Colores del Índice" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Aplicar Cambio de Colores" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Aplicar Colores de Distancia" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Reiniciar los Colores de Atomo" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Aplicar Colores Personalizados" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Aplicar Colores de Residuos Personalizados" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Reiniciar Colores de Residuos" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Aplicar Colores de Estructura Secundaria" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Aplicar Colores de Aminoácidos" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Aplicar Colores de Formas" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Aplicar Colores" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Optimizar Automaticamente" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Herramienta de Optimización Automática\t(%1)\n" "\n" "Funciones de Navegación cuando se hace clic en un espacio vacio.\n" "Botón izquierdo del ratón:\tRotar el Espacio\n" "Botón central del ratón:\tAcercar el Espacio\n" "Botón derecho del ratón:\tMover el Espacio\n" "Doble-Clic:\tReiniciar la Vista\n" "\n" "Durante la ejecución:\n" "\n" "Botón izquierdo del ratón:\tHaga clic en los átomos y arrástrelos para " "moverlos.\n" "Botón derecho del ratón:\tHaga clic en los átomos y arrástrelos para " "rotarlos." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimizar" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinamica" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Tarea:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Intervalo temporal:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Iniciar" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Parar" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimizar Geometría" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Dinámica Molecular" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Herramienta de Optimización Automática" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Optimización interactiva de la estructura molecular" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Escala de átomos" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Escala de enlace" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacidad" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Mostrar enlaces múltiples" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Mostrar hidrógenos" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Representar átomos como esferas y enlaces como cilindros." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulación Centrada en Enlaces" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Herramienta de manipulación Centrada en Enlaces\t(%1)\n" "\n" "Botón izquierdo del ratón:\tHaga clic y arrastre para rotar la vista.\n" "Botón central del ratón:\tHaga clic y arrastre para acercar o alejar la " "vista.\n" "Botón derecho del ratón:\tHaga clic y arrastre para mover la vista.\n" "Doble clic:\tReiniciar la vista.\n" "\n" "Haga clic con el botón izquierdo y arrastre un Enlace para establecer el " "Plano de Manipulación\n" "Haga clic con el botón izquierdo y arrastre uno de los Átomos del Enlace " "para cambiar el angulo\n" "Haga clic con el botón derecho y arrastre uno de los átomos del Enlace para " "cambiar la longitud" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Herramienta de manipulación centrada en enlaces." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Herramienta usada para editar la geometría molecular cambiando longitudes de " "enlace y ángulos." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Enlazar Átomos" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Determinar Órdenes de Enlace" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Eliminar Enlaces" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurar Enlaces…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Enlazar Átomos Seleccionadaos" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Enlace" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Eliminar enlaces de todos los átomos o de los átomos seleccionados." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Crear enlaces entre todos los átomos o entre los átomos seleccionados." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Determinar órdenes de enlace." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Enlazando" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Ejecutar operaciones de enlazado." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Esqueleto" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trazado" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tubo" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Esquema" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Dibujo" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Cuerda" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Mostrar cintas/dibujos de biomoléculas." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Añadir Centroide" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Añadir Centro de Masas" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Añadir Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroide" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Añadir centroides y centros de masas." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Distancia máxima:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Ancho de línea:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contacto" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Puente Salino" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsivo" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Representar contactos cercanos entre átomos." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensiones" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Secuencias de Comandos" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error leyendo archivo de salida '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Procesando %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Establecer ruta al interprete de Python:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Seleccionar el interprete de python para ejecutar secuencias de comandos " "externas.\n" "Avogadro debe ser reiniciado para que los cambios tengan efecto." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Secuencias de Comandos" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Ejecutar secuencias de comandos externas" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Configuración de Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Instalar Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python se utiliza para muchas funciones de Avogadro. ¿Quieres descargar " "Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurarPython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurar entornos Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Otro…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Restricciones…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calcular" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Restricciones..." #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Establecer restricciones para optimizaciones de estructura" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distancia" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Ángulo" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Ángulo de Torsión" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Fijar Átomo" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Fijar Eje X" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Fijar Eje Y" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "FIjar Eje Z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipo" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Valor" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Editor de &Coordenadas Atómicas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordenadas cartesianas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Editor de texto de coordenadas atómicas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "¿Sobrescribir cambios?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "El documento de texto ha sido modificado. ¿Le gustaría descartar sus cambios " "y volver a la molécula actual?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Muy pocas entradas en línea." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nombre de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nombre de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Símbolo de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Símbolo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Etiqueta atómica inválida." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Número atómico no válido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Índice atómico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Número atómico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Número atómico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordenada inválida." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordenada X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordenada Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordenada Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Coordenada de la red «a»." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Coordenada de la red «b»." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Coordenada de la red «c»." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error al aplicar geometría" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "No se pudo analizar la especificación de geometría. Solucione los errores " "resaltados e inténtelo de nuevo.\n" "\n" "(Consejo: Mantenga el ratón sobre el texto en rojo para ver la descripción " "del error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editar Coordenadas Atómicas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizado" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formato XYZ (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formato XYZ (nombres)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formato XYZ (números atómicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordenadas de red (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordenadas de red (nombres)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordenadas de red (números atómicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formato GAMESS (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formato GAMESS (nombres)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formato Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copiar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Cortar" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Eliminar" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Pegar" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Editar" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copiar Como" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Error Copiando la Molécula en el Portapapeles" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Error al generar datos del portapapeles." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato de salida: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Error del lector:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Error al Pegar la Molécula" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "No se puede pegar la molécula: ¡Portapapeles vacío!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Error al leer datos del portapapeles." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato detectado: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiar y pegar" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interaccionar con el portapapeles." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrada de CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generar entrada para CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energía" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energía y Fuerzas" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimización de Geometría" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Métodos de estructura electrónica (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Mecánica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Híbrido cuántico-clásico (Aún no soportado)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NINGUNO" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATÓMICO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "NÚCLEO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSIDADES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "REINICIAR_HISTORIA" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ALEATORIO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "REINICIAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "ESCASO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Gradientes Conjugados" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Descenso pronunciado" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "El archivo de entrada ha sido modificado. ¿Le gustaría sobrescribir sus " "cambios para reflejar la nueva geometría o las opciones del trabajo?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "¿Sobrescribir el archivo de entrada modificado?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Guardar archivo de entrada de CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Enviar Cálculo de CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importar Cristal desde el portapapeles…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Alternar Celda Unidad" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Editar Celda Unidad…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Asociar Átomos a Celda Unidad" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotar a la &Orientación Estándar" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Escalar el &Volumen de la Celda…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construir &Súper Celda…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reducir Celda (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Eliminar &Celda Unidad" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Añadir &Celda Unidad" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Importar Cristal desde el Portapapeles" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Asociar átomos a la celda unidad." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotar la celda unidad a la orientación estándar." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Reducir Cristal mediante Niggli" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "La celda unidad ya está reducida." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Herramientas específicas para editar/analizar cristales." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Ejes de color:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Color de línea:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Representar los bordes de la celda unidad." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "No se puede Analizar el Texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Fallo al leer los datos con el formato suministrado." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "No hay celda unidad." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Editor de Celda Unidad" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignorando celda de matriz singular" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignorando celda fraccionaria de matriz singular" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reasignar Elementos &Personalizados…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipular los tipos de elementos personalizados en la molécula actual." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elementos Personalizados" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Representar el momento dipolar de la molécula." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Dibujar" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Herramienta para Dibujar\t(%1)\n" "\n" "Botón izquierdo del ratón:\tClic y Arrastrar para crear Átomos y Enlace\n" "Botón derecho del ratón:\tBorrar Átomo" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Dibujar Átomo" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Cambiar Tipo de Enlace" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Eliminar Enlace" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distancia:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Herramienta de edición" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automático" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Individual" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Obtener PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "No se puede leer la molécula de PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Código PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Estructura química para descargar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Código PDB incorrecto" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "El código PDB debe tener exactamente 4 caracteres." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "El primer carácter del código PDB debe ser 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Consultando para %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Fallo al Descargar desde la Red" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Se superó el tiempo de espera de la red u otro error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "No se encontró la molécula especificada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Obtener de PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Descargar modelos PDB desde el Banco de Datos de Proteínas" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Selección de Enfoque" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Desenfocar" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Enfocar" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Enfocar la vista en características específicas." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" "Representar la visualización del campo de fuerza para los átomos de la " "molécula." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Fuerzas" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Fijar los Átomos Seleccionados" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Fijar X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Fijar Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Fijar Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Liberar los Átomos Seleccionadaos" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fusionar los Átomos Seleccionados" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Deshacer la Fusión de Átomos Seleccionados" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "No se proporcionan átomos para la optimización" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energía: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energía = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Criterios de la fuerza = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Optimización del campo de fuerza" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" "Minimización del campo de fuerza, incluyendo las secuencias de comandos" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Opciones…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Opción de Modelo Invalida" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" "No se pudo hacer la lectura linea por linea de las opciones de usuario para " "el modelo '%1'," #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Opciones" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Campo de Fuerza Universal" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Campo de Fuerza Generalizado de Amber" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Campo de Fuerza Molecular 94 de Merck" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Entrada de GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generar entrada para GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Punto único" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometría de Equilibrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estado de Transición" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frecuencias" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Hacer EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencial Nuclear" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ninguno" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Agua" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlete" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doblete" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplete" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicatión" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Catión" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anión" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianión" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Grabar archivo de entrada de GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Enviar Cálculo de GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustar Hidrógenos" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Añadir hidrógenos" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Eliminar &Hidrógenos Extra" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Eliminar Todos los Hidrógenos" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Añadir/eliminar hidrógenos de la molécula actual." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrógenos" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrógenos" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Buscar PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importar desde PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Descargar una molécula desde PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insertar" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insertar ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracilo" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Insertar Molécula…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Generando molécula 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insertar ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insertar fragmentos de ADN/ARN mediante texto." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Error de lectura del archivo (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importar Cristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insertar Fragmento" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insertar Fragmento" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insertar fragmentos moleculares para construir moléculas más grandes." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Péptido…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Insertar Péptido" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "InsertarPéptido" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Insertar secuencias de oligopéptido." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Color:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Distancia desde el centro:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Etiquetar escala:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Índice" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Identificador único" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Elemento y Número" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Elemento e identificación" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Carga parcial" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Etiqueta Atómica:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Longitud" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Etiqueta de enlace:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nombre" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Nombre y Identificación" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Etiqueta de Residuo:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Mostrar etiquetas en el estilo «bolas y palos»." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Editar Etiquetas" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Herramienta de Etiquetas de Átomos\n" "\n" "Botón izquierdo del ratón:\tHaga clic en los átomos para añadir Etiquetas " "Personalizadas" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Crear Etiqueta" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Herramienta de edición de etiquetas" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Entrada de LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generar entrada para LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "¿Desea actualizar el texto de vista previa, perdiendo todos los cambios " "realizados en el panel de vista previa de entrada de LAMMPS?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacidad:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Representar átomos como regaliz/palos." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "¡No se han encontrado descriptores!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "¡No se han encontrado lectores de formato de línea!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "No se puede cargar el lector de formato solicitado." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "¡No se encontraron coordenadas!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "No se pudo generar coordenadas en 3D." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Entrada de Formato de Línea" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Cargar descriptores moleculares de línea única mediante entrada de texto." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Herramienta de Manipulación\t(%1)\n" "\n" "Botón izquierdo del ratón:\tClic y arrastrar para mover átomos\n" "Botón derecho del ratón:\tClic y arrastrar para rotar átomos." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Herramienta de Manipulación" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Medir" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Herramienta de Medición\t(%1)\n" "\n" "Botón izquierdo del ratón: Seleccione hasta cuatro átomos.\n" "\tLas distancias se miden entre 1-2 y 2-3\n" "\tEl ángulo se mide entre 1-3 usando 2 como punto común\n" "\tDiedro se mide entre 1-2-3-4\n" "Botón derecho ratón:\t Reiniciar las mediciones." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Ángulo Diedro:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Ángulo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Herramienta de medición" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(pendiente)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Propiedad" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Nombre de la molécula" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Masa molecular (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Masa Monoisotopica (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Fórmula química" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Número de átomos" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Número de enlaces" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Conjuntos de coordenadas" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Número de residuos" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Número de cadenas" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Carga neta" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Multiplicidad de espín neto" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Momento dipolar (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Energía HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Energía LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Energía SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Energía total (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Energía del punto cero (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpía (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropía (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Energía libre de Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Grupo de puntos" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Ver las propiedades generales de una molécula." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analizar" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propiedades" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propiedades moleculares" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propiedades Moleculares" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Exportar a CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Archivos CSV (*.csv);;Todos los archivos (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "No se ha podido abrir el archivo para escribir." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Error al escribir en el archivo." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegar" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Herramienta de Navegación\t(%1)\n" "\n" "Botón izquierdo del ratón:\tHaga clic y arrastre para girar la vista.\n" "Botón central del ratón:\tHaga clic y arrastre para acercar o alejar la " "vista.\n" "Botón derecho del ratón:\tHaga clic y arrastre para mover la vista." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotar la escena a lo largo de los ejes x, y o z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Ampliar la escena." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Mover la escena." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Invertir el Sentido al Acercar/Alejar" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Configuración Predeterminada:\tBaje para alejar, suba para aumentar\n" "Configuración Invertida:\tSuba para alejar, baje para aumentar" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Herramienta de navegación" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nombre Químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Bases de Datos en Red" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interaccionar con bases de datos en línea, consultar estructuras, etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Tolerancia del Ángulo:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halógeno" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Calcógeno" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Representar algunas interacciones no covalentes." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configurar Campo de Fuerza…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Buscar Confórmeros…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Determinar Enlaces" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Añadir Hidrógenos para pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Eliminar Hidrógenos" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" "¡%1 no encontrado! Deshabilitando las acciones del complemento de Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Los formatos de archivos de Open Babel no están preparados para ser añadidos." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Cargando molécula desde Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Ocurrió un error interno: OpenBabel::lectura de Molécula solicitada, ¡pero " "no hay respuesta de Open Babel para analizar!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Ocurrió un error durante la ejecución de Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Error analizando la respuesta de Open Babel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Ocurrió un error recuperando la lista de campos de fuerza soportados. " "(usando '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécula inválida. No se pudo optimizar la geometría." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "No se pudo optimizar la geometría con Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizando la Geometría (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Generando…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Ocurrió un error interno generando una representación de la molécula actual " "para Open Babel." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Comenzando %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Paso %1 de %2\n" "Energía actual: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Actualizando molécula…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Error interpretando la respuesta de Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "El número de átomos en la respuesta de Open Babel (%1) no coincide con el " "número de átomos en la molécula original (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molécula inválida. No se pueden generar confórmeros." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "No se pueden generar confórmeros con Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Generanado Confórmeros (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generar Confórmeros" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "No se pudo abrir el archivo con Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécula inválida: No se han podido determinar enlaces." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Buscando Enlaces (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Generando representación XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Error generando la cadena XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Convirtiendo XYZ a Open Babel con %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Actualizando molécula desde Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "No se pudieron añadir hidrógenos con Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Añadiendo Hidrógenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Generando entrada de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Error generando entrada de Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Ejecutando %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Añadir hidrógenos para pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Generando entrad de obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "No se pudieron eliminar los hidrógenos con Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Eliminando Hidrógenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Error generando datos de Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Leyendo respuesta de obabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Ya se está ejecutando Open Babel. Espere a que se complete la otra operación " "e intentarlo de nuevo." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interaccionar con las utilidades de Open Babel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&Secuencia de Comandos OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrada de OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generando entrada para OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "¿Desea actualizar la vista previa de texto, perdiendo todos los cambios " "realizados en la vista previa del panel de entrada de OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "máximo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Cierto" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Representar ejes de referencia en la esquina de la pantalla." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Gestionar Extensiones…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Instalador de Paquetes" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Instalar, actualizar, y remover paquetes de Avogadro." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Error al bajar lista de extensión: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Error: respuesta vacía del servidor." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Error al buscar el README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nada Seleccionado." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" "Marque la casilla contigua a la extensión para instalarla o actualizarla." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (requiere %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Incompatibilidad de Versión" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Las siguientes extensiones requieren una versión nueva de Avogadro\n" "\n" "%1\n" "\n" "Instalar de igual manera?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "No Hay Descarga Disponible" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Las extensión(es) seleccionada(s) no proveen una dirección URL descargable:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Se fallo el seguir la redirección mientras se descargaba %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Se fallo el descargar de %1: estatus %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Se fallo el descargar de %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Descargando %1 to %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Extrayendo %1...\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extracción completa (archivos %1)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Error: no se pudo trasladar el paquete extraído %1 a %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Error de extracción: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "La extracción no produjo ningún archivo.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Instalación completa.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nada por Remover" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Marque la casilla contigua a la extensión para removerla." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Remover Extensiones" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Remover %n extensión seleccionada?" msgstr[1] "Remover %n extensiones seleccionadas?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Conservar Archivos" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Borrar Archivos" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Seleccionar Directorio de Extensiones" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Directorio Invalido" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "El directorio seleccionado no contiene un archivo pyproject.toml." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Extensión ya se encuentra instalada como un enlace simbólico: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Se creó el enlace simbólico: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" "Fallo la creación del enlace simbólico; copiando archivos en su defecto...\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Se fallo al copiar paquetes a %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Instalando extensiones de %1...\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "No se instaló" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Instalado (actualizado)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Actualización disponible" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Instalado en local (no en un catalogo en linea)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Requiere Avogadro %1 o posterior (usando %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Iconos de característica:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Estado" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versión" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Características" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Descripción" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Electrostática" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Modelos de Energía" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Formatos de Archivo" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Generadores de Entrada" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Comando" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERROR: no se pudo abrir el archivo zip a la lista de contenidos.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERROR: no se pudo abrir el archivo zip para extraer los archivos.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Advertencia: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Reproductor" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Herramienta de Animación\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Fotograma:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Comienzo:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Fin:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "¿Enlaces dinámicos?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Fotogramas por segundo:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Reproducir" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Registrar…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pausa" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Película (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exportar Gráficos en Mapa de Bits" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Película (*.mp4);;Película (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Advertencia de soporte de GIF FPS" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "El formato de archivos GIF no soporta más de 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Película (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Error: No se pudo añadir el fotograma al vídeo." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Herramienta de reproducción" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Rebobinar trayectorias" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Visualizar Data de Confórmero…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Análisis de Confórmeros" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Tipo de Visualización:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Velocidades" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Unidades de Energía:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "a" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSE (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Energía Relativa (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Fuerzas (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Velocidades (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "VisualizarConfórmero" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Generar y visualizar data de confórmeros (RMSE o energia)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Trazar Función de Distribución por Pares…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Fallo al generar un patrón de PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Mensaje de error: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generar y trazar una curva de Función de Distribución por Pares." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Mostrar Patrón Teórico de XRD…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Fallo al generar un patrón de XRD" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Fallo convirtiendo la molécula a formato CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "¡Los datos leídos desde genXrdPattern parecen estar corruptos!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: ¡No se encuentra el ejecutable genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generar y mostrar un patrón teórico de XRD usando ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Actualizar" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Error al descargar los datos del complemento." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Error al analizar los datos del complemento." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Este plugin requiere la instalación de ciertos paquetes.\n" "¿Desea instalarlos?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Siempre" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Nunca" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Falló la descarga desde %1: código de estado %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extrayendo %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Finalizando %1 archivos\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extracción exitosa\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Error extrayendo: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Instalación cancelada\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Descargar Complementos…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Descargar Complementos" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Descargar complementos desde repositorios de GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Representación PLY…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Guardar Archivo" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Archivo de texto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Representar las escenas utilizando PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Representación POV-Ray…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Archivo de texto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Representar las escenas utilizando POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Clic para cambiar el color" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valencia" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Carga Formal" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Carga parcial %1" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Etiqueta" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotopo" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Color" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Átomo Inicial" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Átomo Final" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Orden del Enlace" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Longitud (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Cadena" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Estructura Secundaria" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogéneo" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vértice" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Ángulo (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energía (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Ajustar Fragmento" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "Hélice π" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Curvar" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "Hélice α" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "Hoja β" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "Puente β" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Giro" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Enrollar" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Propiedades Atómicas…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Propiedades de Enlace…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Propiedades de Ángulo…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Propiedades de Torsión…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Propiedades de Residuos…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Propiedades Heteromorfismo…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tablas para visualizar y editar propiedades de átomos, enlaces, ángulos y " "torsiones." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tablas de Propiedades" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propiedades Atómicas" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propiedades de Enlace" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propiedades de Ángulo" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propiedades de Torsión" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propiedades de Confórmero" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Propiedades de Residuo" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Tipo de Carga Parcial" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Seleccione el tipo de carga parcial:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Cambiar el Tipo de Carga…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Fijar Átomo" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Fijar X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Fijar Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Fijar Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Liberar Átomo" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Fijar Enlace" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Fijar Ángulo" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Fijar Torsión" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Liberar Restricción" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "No se puede leer el archivo %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Se fallo al crear un archivo temporal." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM - Quantum Theory of Atoms in Molecules" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Representar primitivas usando propiedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Gráfico Molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Gráfico Molecular con Pares Solitarios…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Carga Atómica…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Abrir Archivo WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Archivos WFN (*.wfn);;Todos los archivos (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensión QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Entrada cuántica" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generar entradas para códigos cuánticos." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centrar" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Alinear la Vista con los Ejes" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Alinear la vista con los ejes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Restablecer la vista" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipular la cámara de observación." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Secuencias de Comandos de Modelos de Carga" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Cargar modelos electrostáticos desde secuencias de comandos externas." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Formatos de Archivo para Secuencias de Comandos" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Cargar archivo lector/escritor desde secuencias de comandos externas." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Seleccionar Todo" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "No Seleccionar Nada" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invertir Selección" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Seleccionar por Elemento…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Seleccionar por Índice Atómico…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Seleccionar por Residuo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Seleccionar Átomos del Esqueleto…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Seleccionar Átomos de las Cadenas Laterales…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Seleccionar Agua" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Agrandar Selección" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Encoger Selección" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Crear una Capa Nueva con la Selección" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Cambiar selecciones" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleccionar" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Seleccionar Elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Seleccionar Esqueleto" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Seleccionar Cadenas Laterales" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Seleccionar Átomos por Índice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Átomo a Seleccionar:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Seleccionar Átomo" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Seleccionar Átomos por Residuo" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residuos a Seleccionar:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Seleccionar Residuo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Seleccionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selección" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Herramienta de Selección\t(%1)\n" "\n" "Botón Izquierdo del Ratón:\tPresionar para seleccionar átomos individuales, " "residuos, o fragmentos\n" "\tArrastrar para seleccionar un grupo de átomos\n" "Botón Derecho del ratón:\tPresionar fuera de la molécula para limpiar la " "selección\n" "Utilizar «Ctrl» para alternar la selección y «shift» para añadir a la " "selección.\n" "Doble Clic:\tSeleccionar un fragmento completo." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Pintar Átomos" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Herramienta de selección" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Nueva Capa" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Determinar Grupo Espacial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetrizar" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reducir a una Unidad Asimétrica" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Establecer Tolerancia…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Llenar Celda Unidad…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Llenar la Celda de Traslado…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Grupo Espacial" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Rellenar átomos simétricos en función del grupo espacial del cristal." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Llenar todos los átomos basados en el grupo espacial del cristal." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Reconocimiento de grupos espaciales" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "El grupo espacial ya está configurado en: %1.\n" "¿Desea sobrescribirlo?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Percepción del grupo espacial tuvo éxito:\n" "Tolerancia: %1 Å\n" "Grupo Espacial:%2\n" "Símbolo de Hall: %3\n" "Símbolo internacional: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Fallo" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "La percepción del grupo espacial ha fallado.\n" "¿Desea volver a intentarlo con una tolerancia diferente?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Reducción Primitiva" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "La tolerancia está actualmente establecida en: %1.\n" "¿Continuar con esta tolerancia?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "La reducción primitiva falló.\n" "Por favor, comprobar el cristal e intentarlo de nuevo con una tolerancia " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "La convencionalización de la celda falló.\n" "Por favor, comprobar el cristal e intentarlo de nuevo con una tolerancia " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Falló la simetrización.\n" "Por favor, comprobar el cristal e intentarlo de nuevo con una tolerancia " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "Con una tolerancia de %1 Å, la información del grupo espacial percibida fue " "la siguiente: \n" "Numero internacional: %2\n" "Símbolo de Hall: %3\n" "Símbolo internacional: %4\n" "\n" "Proceder con este grupo espacial?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Seleccionar tolerancia en Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triclínico" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoclínico" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Ortorrómbico" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Romboédrico" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Cúbico" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Celda Primitiva Detectada" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "La celda unitaria actual parece ser una celda primitiva (con ángulos " "diferentes a 90°), pero el grupo espacial %1 supone una celda centrada " "convencional.\n" "\n" "Llenar la celda unitaria puede resultar en átomos duplicados inesperados.\n" "\n" "¿Le gustaría crear una celda convencional primero?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Se fallo el convencionalizar la celda." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internacional" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Sala" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Sistema Cristalino" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Seleccionar un Grupo Espacial" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Grupo Espacial" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Características del grupo espacial para cristales." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Trazar espectros…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Espectros" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Mostrar gráficos del espectro." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infrarrojo" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Dicroísmo Circular Vibracional" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Dicroísmo Circular Magnético" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Electrónica" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Dicroísmo circular" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Densidad de los estados" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Seleccionar el color de fondo" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Seleccionar el Color de primer plano" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Seleccionar espectro de color calculado" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Seleccionar el Color del Espectro en Bruto" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Seleccionar espectro de color importado" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Longitud de onda (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frecuencia (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Espectros de la vibración" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Números de onda (cm-¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmisión" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Espectros Raman" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensidad" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Dicroísmo Circular Vibracional" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Dicroísmo Circular Magnético" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "Espectros RMN" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Desviación química (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Espectros electrónicos" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energía (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Espectros dicroísmo circular" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Densidad" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Suavizado" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "En Bruto" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Importado" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Importar Data" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "Archivos CSV (*.csv);;Archivos TSV (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Superficie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volumen" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Estilo:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Renderizar superficies moleculares." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Orbitales moleculares…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Ventana orbital" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Mostrar listas orbitales." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetría" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Ocupación" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Espín" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Orbitales moleculares" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Disolvente Accesible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Disolvente Excluido" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidad Electrónica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Densidad de Espín" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Orbital Molecular %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Desde Archivo" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " de %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Crear Superficies…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Representar la superficie de Van der Waals." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Representar la superficie molecular de van der Waals." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Representar la superficie molecular accesible a los disolventes." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Representar la superficie molecular inaccesible al disolvente." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Representar un orbital molecular." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Representar la densidad electrónica." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Representar la densidad de espín." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Representar un cubo suministrado con el archivo." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cubo %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calculando densidad electrónica" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Calculando la densidad de espín" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculando orbital molecular %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Superficie Terminada" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Película AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Exportar Película" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Película MP4 (*.mp4);;Película AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "No se pudo encontrar el widget de render activo, fallando." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Leer y representar superficies." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Representar la escena en un archivo SVG." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Clase" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Simetría…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Proporcionar funcionalidad de simetría." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Representar elementos de simetría." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Plantilla" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Herramienta de Plantilla\t(%1)\n" "\n" "Insertar fragmentos, incluyendo centros metálicos.\n" "Seleccione un elemento y una geometría de coordinación, después presione " "para insertar un fragmento.\n" "\n" "Seleccione un ligando o grupo funcional y presione sobe un átomo de " "hidrógeno para unirlo." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Portapapeles" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Insertar Plantilla" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Insertar Ligando" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Herramienta de plantilla" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Visualización sencilla de esferas de Van der Waals." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Comenzar Animación" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Detener Animación" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Modos Vibracionales…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Mostrar el diálogo de los modos de la vibración." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Establecer el modo de vibración." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Establecer la amplitud de la vibración." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Iniciar la animación vibracional." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Detener la animación vibracional." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibraciones" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Mostrar modos vibracionales." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Representación VRML…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Archivo de texto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Representar la escena utilizando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Representar la molécula en modo armazón de alambre." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calcular Estructura de Bandas…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "No se pudo calcular la estructura de bandas: ¡no hay celda unidad!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Fallo al ejecutar Yaehmop con el siguiente error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "¡Fallo al leer la estructura de bandas desde Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "¡Solo se encontró un punto k especial en la respuesta de Yaehmop! ¡Se " "necesitan dos o más!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "espacio-k" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Banda %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Nivel de Fermi" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "No se encuentra Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 no pudo iniciarse" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Entrada de Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Realizar cálculos de Hückel extendido con yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulario" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configuración de Cálculo" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Texto Marcador de Posición…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Restablecer" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Secuencia de Comandos de Depuración…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Enviar Cálculo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Guardar entrada…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Lista de Espera y Programa:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Refrescar" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Número de núcleos del procesador que se reservarán " "para esta tarea.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Núcleos del procesador:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Borrar archivos de trabajo remotos tras completar la " "tarea. Los resultados se copiarán en primero en la memoria caché local de la " "tarea de MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Borrar archivos remotos al terminar:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Seleccionar para evitar que esta tarea se muestre en " "el GUI de MoleQueue por defecto.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ocultar tarea en MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Mostrar una notificación del sistema en ventana " "emergente cuando cambie el estado de la tarea.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Mostrar notificaciones de progreso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Abrir respuesta de salida al terminar:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renombrar Elementos" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insertar Fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtrar:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Escribir un nombre o parte de un nombre para mostrar solo los archivos que " "coincidan." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insertar" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Extracto de 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiar al Portapapeles" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Archivo de Entrada de Estructura" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generar Entrada desde PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Archivo PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de Fuerza:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Ejecutar PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Cargar Archivo PQR Existente" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Archivo PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Archivo de Entrada APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Guardar Archivo de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Ejecutar APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "¡Éxito!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Cargar Archivo de Estructura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Cargar Archivo de Cubo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Cargas Parciales" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Modelo de Carga:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerancia de Distancia:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distancia Mínima:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Sólo existe el entorno conda \"base\".\n" "¿Desea crear un nuevo entorno para Avogadro?\n" "Esto hará una copia de su entorno base.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nombre del entorno:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Seleccione la versión de Python utilizada para ejecutar scripts.\n" "Avogadro debe reiniciarse para que los cambios surtan efecto." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Entorno:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Añadir restricciones" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Indices de Átomos:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Valor:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Añadir" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Opciones" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Obtener Restricción" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Borrar lo Seleccionado" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Borrar Todo" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Aceptar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de Coordenadas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preestablecer:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unidad de Distancia:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Especificación de Formato. Cada carácter indica un " "valor a escribir por átomo:

# " "- Índice atómico (1, 2, ..., numAtoms)
Z - Número atómico (e.g. «6» para el carbono)
G - Número atómico estilo GAMESS (e.g. " "«6.0» para el carbono)
N - " "Nombre del elemento (e.g. «Carbono»)
S - Símbolo del elemento (e.g. «C» para el carbono)
L - Etiqueta atómica (e.g., «C2» " "para el segundo átomo de carbono, «H1» para el primer hidrógeno)
x - Posición en la coordenada X
y - Posición en la coordenada Y
z - Posición en la coordenada Z
a - Coordenada de la red «a» (solo para " "cristales)
b - Coordenada de la " "red «b» (solo para cristales)
c " "- Coordenada de la red «c» (solo para cristales)
_ - Un espacio literal (« »), útil para " "alineamientos
0 - Un cero " "literal («0»), útil para banderas de optimización
1 - Un uno literal («1»), útil para banderas de " "optimización

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Ayuda…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Pegar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revertir" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Limpiar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrada CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Restablecer Todo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Predeterminados" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Guardar Archivo…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Configuración Básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Nombre de Archivo Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "tarea" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Conjunto de bases:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Veneno tipo EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Veneno EWALD Alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Veneno EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensión de archivo para conversión de Open Babel (por defecto - " "Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parámetros de la Supercelda" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opciones de la Supercelda" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetición A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetición B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetición C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriz de la Celda:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriz Fraccional:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformar Átomos" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revertir" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ocultar" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escalar el Volumen de la Celda Unidad" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "&Volumen Nuevo:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Factor de Escalado:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volumen Actual:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de Texto" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orden de Enlace:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parámetros de Optimización de Geometría" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Criterios de Convergencia" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Convergencia de la energía:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Límite de Intervalos:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unidades" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " intervalos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Convergencia del gradiente:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Método de Optimización" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Campo de fuerza:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Detectar automáticamente" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada de GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dentro:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "UMBR CONV" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidad:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Con:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Importar desde PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Buscar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nombre" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etiqueta" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinónimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "fórmula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "InChI" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Buscar Por: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Fórmula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Descargar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nombre:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insertar Ácidos Nucleicos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Constructor de ADN/ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Ácidos nucleicos:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Secuencia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "el número de pares de bases por giro de la hélice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Otro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases por Giro:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Hebras:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Única" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Constructor de Péptidos" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparragina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Acido aspártico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteína" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Acido glutamico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirosina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptófano" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Penilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Aminoácidos:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Secuencia (N a C)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereoquímica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminal:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminal:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Estructura:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Cadena recta" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "Hélice α" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "Hoja β" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "Hélice 3-10" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "Hélice π" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Cadena de número:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "La cadena para el nuevo número de péptidos" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrada de LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentarios del archivo de entrada" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Seleccionar el estilo de unidad que se utilizará durante la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unidades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electrón" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial del Agua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Seleccionar el estilo atómico utilizado en el archivo de datos." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estilo de los Átomos" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ángulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atómico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "enlace" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "completo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "línea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paquete de ondas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Especificar el nombre que se utilizará para el archivo de coordenadas." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Archivo de Datos de Coordenadas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Colectividad" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Seleccionar el número de cadenas Nosé-Hoover en la colectividad NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadenas NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalo temporal para la simulación en unidades acorde a la especificación " "«Unidades»." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Intervalo Temporal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" "Nombre de archivo para el archivo XYZ que se escribirá durante la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Descartar XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Número de dimensiones en el sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensiones" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Cambiar el estilo del borde Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Cambiar el estilo del borde Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Cambiar el estilo del borde X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Seleccionar los Estilos de los bordes en las direcciones X, Y y Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Borde" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Número de réplicas en las direcciones X, Y y Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicar la dirección X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicar la dirección Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicar la dirección Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Número total de intervalos a ejecutar en la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Periodos Totales" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Descartar Intervalo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Establecer las velocidades iniciales de los átomos para la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocidades Iniciales" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Seleccionar la distribución de las velocidades atómicas iniciales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Establecer las velocidades atómicas iniciales correspondientes a esta " "temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Eliminar el momento lineal del sistema de las velocidades iniciales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momento Lineal Nulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Eliminar el momento angular del sistema de las velocidades iniciales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momento Angular Nulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlar la respuesta termodinámica durante la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Respuesta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Respuesta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estilo de respuesta termodinámica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Línea Única" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Línea Múltiple" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilizar Formulario" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generar…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Traducido por:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotar alrededor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origen" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centro de la molécula" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centro de la selección" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Eje X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eje Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eje Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Mover:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Átomos seleccionados" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Otras cosas" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Búsqueda de Confórmero" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Número de confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Búsqueda sistemática de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Búsqueda aleatoria de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Búsqueda ponderada de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Búsqueda de algoritmo genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimización por confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opciones del Algoritmo Genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "número de hijos por cada geometría principal" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Hijos:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frecuencia de mutación (menor = mutaciones más frecuentes)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutabilidad:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "número de generaciones idénticas antes de alcanzar la convergencia" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergencia:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Método de puntuación:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "método de puntuación para el algoritmo genético (RMSD = distancia " "geométrica, energía = energías más bajas)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmo de Optimización:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Técnica de búsqueda de líneas:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Descenso pronunciado" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradiente Conjugado" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Único" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Método de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limitar las Interacciones no enlazantes" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Distancia de corte de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Igualar la frecuencia actualizada:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distancia de corte electrostática:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Convergencia de «Energía»:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Constructor de Secuencias de Comandos OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Secuencia de comandos de la tarea:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "secuencia de comandos" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordenadas de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topología de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Campo de Fuerzas:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Modelo de Agua:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Disolvente Implícito (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plataforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referencia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precisión:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "Único" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mezclado" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Índice de Dispositivo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Índice de la Plataforma OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Método no enlazado:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Sin Corte" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Corte no Periódico" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Corte Periódico" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Tolerancia de Ewald:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Restricciones:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Enlaces de Hidrógeno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Todos los Enlaces" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Ángulos de Hidrógeno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolerancia de las Restricciones:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "¿Agua rígida?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Falso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Corte no enlazante:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Velocidad inicial al azar:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temperatura de Generación:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrador:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Langevin Variable" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Verlet Variable" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolerancia de error:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Tasa de colisión:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostato:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Presión:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo del Barostato" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Informadores:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Intervalo de Informe:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Intervalos de Equilibrado:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Intervalos de Producción:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "¿Minimizar?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Intervalos de Minimizado Máximos:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opciones de StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Índice de Intervalos" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tiempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Velocidad" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progreso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energía Potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energía Cinética" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energía Total" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Buscando exenciones…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Instalar del Directorio…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Remover lo Seleccionado" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Instalar / Actualizar lo Seleccionado" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opciones de PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Radio Máximo:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Intervalo (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opciones de Patrón Teórico de XRD" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

Ensanchamiento del pico en la base (en grados).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

Valor máximos de 2theta en grados.

Por defecto: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

Ensanchamiento de los picos en la base en grados.

Por defecto: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Número de puntos:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Anchura del pico:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Longitud de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Longitud de onda de los rayos X en Angstroms.

Por defecto: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Número de puntos 2theta a generar.

Por defecto: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Máximo 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Descargar la Selección" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radio del Punto Crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radio de la Ruta de Enlace:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamaño Constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplicar Color" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Visualización de espectros" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Factor de escalado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Mínimo eje X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Máximo del eje X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Desplazamiento:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Máximo del eje Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Mínimo del eje Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Ancho del pico:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Umbral máximo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Unidades:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Apariencia" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Establecer color…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spectra importados:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Tamaño de la fuente:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Anchura de la línea:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Las importaciones de un tsv espectros experimentales de la superposición en " "la parcela." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Importar…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Antecedentes:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Espectros calculados:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Espectro en Bruto:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Exportar…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar datos" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Cerrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opciones…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Doble izquierda, haz clic en Restaurar predeterminados eje límites\n" "Haga clic derecho + arrastrar: Mover parcela\n" "Medio haga clic + arrastrar: Zoom a la región\n" "Rueda de desplazamiento: Zoom a cursor\n" "Nota: Hay saltos de línea aquí. Cada uno representa un salto de línea. " "Iniciar una nueva línea en la posición equivalente en la traducción." #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Cargar datos…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Calidad: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Muy Bajo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Bajo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Muy Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Visualizar" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configurar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crear Superficies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Superficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colorear por:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potencial Electrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolución:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Valor de la Isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Suavizado:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Suave" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Duro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Grabar Película…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Átomos simétricamente equivalentes:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Bloquear Simetría" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operaciones" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementos de simetría:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupos" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupos:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerancia:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Ajustado" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Ligero" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Muy Ligero" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detectar Simetría" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centros" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Carga Formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordinación:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octaédrica" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Plana" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraédrica" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Plano-cuadrada" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Bipirámide Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Piramidal Cuadrada" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Prisma Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Bipirámide Pentagonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Antiprisma Cuadrado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligandos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Háptico" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Desde el Portapapeles" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligando:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amida" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxilato" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "éster" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etileno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "Acetileno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenilo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfato" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonato" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modos Vibracionales" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Banda de Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Valor mínimo de y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

El nivel de Fermi debe conocerse antes de marcar esta " "casilla. Puede descubrir el nivel de Fermi realizando un cálculo de densidad " "de estados y mostrando los datos (estará en la parte superior de los datos). " "Además, si se realiza un cálculo de la densidad de estados, el nivel de " "Fermi aquí se establecerá automáticamente a lo que se detectó durante el " "cálculo de la densidad de estados.

Si se marca esta casilla, asegúrese " "de introducir el nivel de Fermi correcto en la caja numérica de la derecha.

Por defecto: desactivado

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "¿Mostrar el nivel de Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

¿Ajustar las energías para que el nivel de Fermi " "corresponda a cero? Solo disponible si se muestra el nivel de Fermi.


Por defecto: desactivado

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "¿Nivel de Fermi en cero?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "Número de puntos k que conectan con puntos k especiales:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Puntos k especiales" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Valor máximo de y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Nivel de Fermi

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Introducir puntos k especiales tales como:

L 0.5 " "0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

Esto es, " "<símbolo> <x> <y> <z> donde x, y, y z son " "coordenadas espaciales recíprocas fraccionales. Se dibujarán líneas " "conectando los puntos k del gráfico en el orden en que sean introducidos. " "Por favor, tenga en cuenta que la orientación de la celda puede afectar a la " "localización de estos puntos espaciales recíprocos.

Si el grupo " "espacial del cristal ha sido determinado o establecido, los puntos k " "especiales serán completados automáticamente con los puntos de alta simetría " "de la celda primitiva para ese grupo espacial. Hay algunos grupos espaciales " "con puntos de alta simetría diferentes dependiendo de la rejilla (por " "ejemplo un > b o un < b) - esto se tiene en cuenta automáticamente." #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Introduzca el número de puntos k que conectarán los " "puntos k especiales. Más puntos k suavizarán el gráfico, pero el cálculo " "puede llevar más tiempo.

Por defecto: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

¿Limitar el rango «y» en el trazado?

Por " "defecto: desactivado

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "¿Limitar el rango «y»?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

El número de dimensiones periódicas.


Si se establece en 1, el material será periódico a lo largo vector A " "del cristal.


Si se establece en 2, el material será " "periódico a lo largo de los vectores A y B del cristal.


Si " "se establece en 3, el material será periódico a lo largo de los vectores A, " "B y C del cristal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Número de Dimensiones:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "¿Mostrar la Entrada de Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo " "Fredz,Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff " "Hutchison,Gothmog,Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio " "Castillo A.,cocoloco, ,Launchpad Contributions:,Andres Montejo " "Martinez,DiegoJ,Edgardo Fredz,Enterhase,Feder Sáiz,Federico Vera,Gabriel " "Ruiz,Geoff Hutchison,Gothmog,Javier García Díaz,Luis J. Claros,Pablo " "Catarecha,Rogelio Castillo A.,cocoloco, ,Launchpad Contributions:,Avogadro " "Team,niniocompu, ,Launchpad Contributions:,Alejandro Del Rincón,Angel " "Herráez,Ariel Cabral,Avogadro Team,DiegoJ,DiegoSuarez uy,Edgardo " "Fredz,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,Mauro " "de Carvalho,Nicolás M. Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro " "Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder " "Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,Mauro de Carvalho,Nicolás M. " "Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro " "Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder " "Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,Mauro de Carvalho,Nicolás M. " "Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro " "Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder " "Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,Mauro de Carvalho,Nicolás M. " "Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro " "Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder " "Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de " "Carvalho,Nicolás M. Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro " "Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder " "Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de " "Carvalho,Monkey,Nicolás M. Zahlut,Victor " "Herrero,memaljo,niniocompu, ,Launchpad Contributions:,Alejandro Del " "Rincón,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel " "Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz,Francisco " "J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de " "Carvalho,Monkey,Nicolás M. Zahlut,Victor " "Herrero,memaljo,niniocompu, ,Launchpad Contributions:,Alejandro Del " "Rincón,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel " "Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz,Francisco " "J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de " "Carvalho,Maximiliano,Miguel Valdiri Badillo,Monkey,Nicolás M. Zahlut,Victor " "Herrero,memaljo,niniocompu, ,Launchpad Contributions:,Alejandro Del " "Rincón,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel " "Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder " "Sáiz,Fitoschido,Francisco J. Aviles Noreña,Geoff " "Hutchison,JoseRoberto,Lu,Mauro de Carvalho,Maximiliano,Miguel Valdiri " "Badillo,Monkey,Nicolás M. Zahlut,Victor " "Herrero,memaljo,niniocompu, ,Launchpad Contributions:,Adolfo Jayme,Alejandro " "Del Rincón,Alejandro Moulia Cap Saint Jean,Angel Herráez,Ariel " "Cabral,Avogadro Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Dj " "Dracaufeu,Edgardo Fredz,Eduardo Alberto Calvo,Eduardo " "Echeverria,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff " "Hutchison,Gróver Adán Tapia Domínguez,Jellby,Jose " "Gutierrez,JoseRoberto,LinuxNerdo,Lu,Maximiliano,Miguel de " "Dios,Monkey,Nicolás M. Zahlut,Pablo de Castro,Paco Molinero,Rogelio Meza " "Torres,Victor Herrero,memaljo,niniocompu, ,Launchpad Contributions:,Adolfo " "Jayme,Alejandro Del Rincón,Alejandro Moulia Cap Saint Jean,Angel " "Herráez,Ariel Cabral,Avogadro Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Dj " "Dracaufeu,Edgardo Fredz,Eduardo Alberto Calvo,Eduardo " "Echeverria,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff " "Hutchison,Gróver Adán Tapia Domínguez,Jellby,Jose " "Gutierrez,JoseRoberto,LinuxNerdo,Lu,Maximiliano,Miguel de " "Dios,Monkey,Nicolás M. Zahlut,Pablo de Castro,Paco Molinero,Rogelio Meza " "Torres,Victor Herrero,memaljo,niniocompu, ,Launchpad Contributions:,Adolfo " "Jayme,Alejandro Del Rincón,Alejandro Moulia Cap Saint Jean,Angel " "Herráez,Ariel Cabral,Avogadro Team,Daniel,DiegoJ,DiegoSuarez uy,Dj " "Dracaufeu,Edgardo Fredz,Eduardo Alberto Calvo,Eduardo " "Echeverria,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff " "Hutchison,Gróver Adán Tapia Domínguez,Jellby,Jose " "Gutierrez,JoseRoberto,LinuxNerdo,Lu,Maximiliano,Miguel de " "Dios,Monkey,Nicolás M. Zahlut,Pablo de Castro,Paco Molinero,Rogelio Meza " "Torres,Victor Herrero,memaljo,niniocompu" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com,patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail.com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com,patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail.com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,federsaiz@googlemail.com,fjavilesn@gmail.com,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,federsaiz@googlemail.com,fjavilesn@gmail.com,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fjavilesn@gmail.com,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fjavilesn@gmail.com,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fjavilesn@gmail.com,,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fjavilesn@gmail.com,,,mauro.dec@gmail.com,,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fjavilesn@gmail.com,,,mauro.dec@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fjavilesn@gmail.com,,,mauro.dec@gmail.com,meilan@adinet.com.uy,catastro1@tutopia.com,monkey.libre@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,,fitoschido@gmail.com,fjavilesn@gmail.com,,,,mauro.dec@gmail.com,meilan@adinet.com.uy,catastro1@tutopia.com,monkey.libre@gmail.com,nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,fitoschido@gmail.com,,alejandromoulia@gmail.com,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,djdracaufeu@hotmail.com,medeshago@gmail.com,,,,,fjavilesn@gmail.com,,grovertapia@hotmail.com,,joseb.gutierrez@gmail.com,,,,meilan@adinet.com.uy,tres.14159@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,,paco@byasl.com,,victorhera@gmail.com,memaljo@yahoo.com,,,,fitoschido@gmail.com,,alejandromoulia@gmail.com,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,djdracaufeu@hotmail.com,medeshago@gmail.com,,,,,fjavilesn@gmail.com,,grovertapia@hotmail.com,,joseb.gutierrez@gmail.com,,,,meilan@adinet.com.uy,tres.14159@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,,paco@byasl.com,,victorhera@gmail.com,memaljo@yahoo.com,,,,,,alejandromoulia@gmail.com,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,djdracaufeu@hotmail.com,medeshago@gmail.com,,,,,fjavilesn@gmail.com,,grovertapia@hotmail.com,,joseb.gutierrez@gmail.com,,,,meilan@adinet.com.uy,tres.14159@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,,paco@byasl.com,,victorhera@gmail.com,memaljo@yahoo.com," #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "La opción «%1» no se refiere a un objeto." #, qt-format #~ msgid "Tab %1" #~ msgstr "Pestaña %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Error: el valor debe ser objeto de la clave «%1»." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Editar Mapa de Opacidad de Color…" #~ msgid "ColorOpacityMap" #~ msgstr "Mapa de Opacidad de Color" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Editar mapas de opacidad de color, principalmente para representar " #~ "volumen." #~ msgid "Volume Rendering" #~ msgstr "Representar Volumen" #~ msgid "Cube" #~ msgstr "Cubo" #~ msgid "Enable volume rendering" #~ msgstr "Permitir la representación del volumen" #~ msgid "Enable surface rendering" #~ msgstr "Permitir la representación de superficies" #~ msgid "Isovalue" #~ msgstr "Isovalor" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "" #~ "Error recuperando metadatos para la secuencia de comandos de energía: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "" #~ "Error analizando metadatos para la secuencia de comandos de energía: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Error analizando metadatos para la secuencia de comandos de energía: %1\n" #~ "El resultado no es un objeto JSON.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "No se puede cargar la secuencia de comandos %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Comprobando secuencias de comandos %1 en la ruta %2" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1º" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Ángulos:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pendiente)" #~ msgid "unknown molecule" #~ msgstr "Molécula desconocida" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Superposición de Ejes de Referencia" #~ msgid "Meshes" #~ msgstr "Mallas" #~ msgid "Plot RMSD curve…" #~ msgstr "Trazar curva RMSD…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generar y trazar una curva RMSD." #, fuzzy, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Herramienta de etiquetas de átomos\t(%1)\n" #~ "\n" #~ "Botón izquierdo del ratón:\tHaga clic en los átomos para añadir etiquetas " #~ "personalizadas" #~ msgid "Max 2*theta:" #~ msgstr "2*theta máximo:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tablas para visualizar y editar propiedades de átomos, enlaces, ángulos y " #~ "torsiones." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Alinear Moléculas \n" #~ "\n" #~ "Botón Izquierdo del Ratón: \t Seleccionar hasta dos átomos. \n" #~ "\t El primer átomo se centra en el origen. \n" #~ "\t El segundo átomo está alineado con el eje seleccionado. \n" #~ "Botón Derecho del Ratón: \t Cambiar la alineación. \n" #~ "Doble clic: \t Centrar el átomo en el origen." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Herramienta de manipulación Bond Centric (%1)\n" #~ "\n" #~ "Botón izquierdo del ratón: \tHaga clic y arrastre para rotar la vista.\n" #~ "Botón central del ratón: \tHaga clic y arrastre para acercar o alejar la " #~ "vista.\n" #~ "Botón derecho ratón: \tHaga clic y arrastre para mover la vista.\n" #~ "Doble clic: \tReinicia la vista.\n" #~ "\n" #~ "Haga clic y arrastre con el botón izquierdo en un enlace para establecer " #~ "el plano de manipulación:\n" #~ "Haga clic con el botón izquierdo\n" #~ "y arrastre uno de los átomos del enlace para cambiar el ángulo Haga clic " #~ "con el botón derecho y arrastre uno de los átomos del enlace para cambiar " #~ "la longitud" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Herramienta Dibujar (%1)\n" #~ "\n" #~ "Botón izquierdo ratón: \tClic y Arrastrar para crear Átomos y Enlace\n" #~ "Botón derecho ratón: \tBorrar Átomo" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Herramienta de etiquetas de átomos (%1)\n" #~ "\n" #~ "Botón izquierdo del ratón: \tHaga clic en los átomos para añadir " #~ "etiquetas personalizadas" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Herramienta de manipulación (%1)\n" #~ "\n" #~ "Botón izquierdo del ratón: \tClic y arrastrar para mover átomos\n" #~ "Botón derecho del ratón: \tClic y arrastrar para rotar átomos.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Herramienta de medición (%1)\n" #~ "\n" #~ "Botón izquierdo ratón: Seleccione hasta cuatro átomos.\n" #~ "\tLas distancias se miden entre 1-2 y 2-3\n" #~ "\tEl ángulo se mide entre 1-3 usando 2 como punto común\n" #~ "\tDihedral se mide entre 1-2-3-4\n" #~ "Botón derecho ratón: Reiniciar las mediciones." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Herramienta de navegación (%1)\n" #~ "\n" #~ "Botón izquierdo ratón: \tHaga clic y arrastre para girar la vista.\n" #~ "Botón central del ratón:\tHaga clic y arrastre para acercar o alejar la " #~ "vista.\n" #~ "Botón derecho del ratón: \tHaga clic y arrastre para mover la vista.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Por defecto:\tBaje para alejar, suba para aumentar\n" #~ "Invertido:\tSuba para alejar, baje para aumentar" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Herramienta de animación (%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Herramienta de selección (%1)\n" #~ "\n" #~ "Botón izquierdo del ratón: Haga clic para seleccionar átomos " #~ "individuales, residuos o fragmentos\n" #~ "\tArrastrar para seleccionar un rango de átomos\n" #~ "Botón derecho del ratón: Haga clic fuera de la molécula para borrar la " #~ "selección\n" #~ "Utilice \"Ctrl\" para alternar la selección y \"Shift\" para añadir a la " #~ "selección.\n" #~ "Doble clic: Seleccione un fragmento completo." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Herramienta Plantilla (%1)\n" #~ "\n" #~ "Insertar fragmentos, incluyendo centros metálicos.\n" #~ "Seleccione un elemento y una geometría de coordinación y haga clic para " #~ "insertar un fragmento.\n" #~ "\n" #~ "Seleccione un ligando o grupo funcional y haga clic en un átomo de " #~ "hidrógeno para unirlo." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Representar mallas poligonales." #~ msgid "&Analysis" #~ msgstr "&Análisis" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "…" #~ msgid "&Import..." #~ msgstr "&Importar ..." #~ msgid "Set Color..." #~ msgstr "Ajuste de color ..." #~ msgid "&Export..." #~ msgstr "&Exportar..." #~ msgid "&Load data..." #~ msgstr "&Carga de datos ..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Carga Parcial" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Herramienta de Manipulación Centrada en Enlaces \n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tPresionar y arrastrar para rotar la vista.\n" #~ "Botón Central del Ratón: \tPresionar y arrastrar para acercar o alejar. \n" #~ "Botón Derecho del Ratón: \tPresionar y arrastrar para mover la vista. \n" #~ "Doble Clic: \t Restablecer la vista. \n" #~ "\n" #~ "Clic Izquierdo y Arrastrar sobre un Enlace para establecer el Plano de " #~ "Manipulación: \n" #~ "Clic izquierdo y Arrastrar uno de los Átomos del Enlace para cambiar el " #~ "ángulo\n" #~ "Clic derecho y Arrastrar uno de los Átomos del Enlace de cambiar la " #~ "longitud" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Herramienta de dibujo\n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tPresionar y Arrastrar para crear Átomos y " #~ "Enlaces\n" #~ "Botón Derecho del Ratón: \tBorrar Átomo" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Herramienta de Etiquetado de Átomos\n" #~ "\n" #~ "Botón Izquierdo del Ratón:\tPresionar sobre los Átomos para añadir " #~ "Etiquetas Personalizadas" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Herramienta de manipulación\n" #~ "\n" #~ "Botón ratón izquierdo: \tHaga clic y arrastre para mover los átomos\n" #~ "Botón ratón derecho: \tHaga clic y arrastre para girar los átomos.\n" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Herramienta de medición\n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tSeleccione hasta cuatro Átomos.\n" #~ "\tLas distancias se miden entre 1-2 y 2-3\n" #~ "\tEl ángulo se mide entre 1-3 usando 2 como punto común\n" #~ "\tEl ángulo diedro se mide entre 1-2-3-4\n" #~ "Botón Derecho del Ratón: \tReinicia las mediciones." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Herramienta de Navegación\n" #~ "\n" #~ "Botón Izquierdo del Ratón:\tPresionar y arrastrar para rotar la vista.\n" #~ "Botón Central del Ratón:\tPresionar y arrastrar para acercar o alejar.\n" #~ "Botón Derecho del Ratón:\tPresionar y arrastrar para mover la vista.\n" #~ msgid "Animation Tool" #~ msgstr "Herramienta de Animación" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Herramienta de Selección\n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tPresionar para seleccionar átomos " #~ "individuales, residuos, o fragmentos\n" #~ "\tArrastrar para seleccionar un grupo de átomos\n" #~ "Botón Derecho del ratón: \tPresionar fuera de la molécula para limpiar la " #~ "selección\n" #~ "Utilizar «Ctrl» para alternar a la selección y «shift» para añadir a la " #~ "selección.\n" #~ "Doble Clic: \tSeleccionar un fragmento completo." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Herramienta de la Plantilla\n" #~ "\n" #~ "Insertar fragmentos, incluyendo centros metálicos.\n" #~ "Seleccionar un elemento y una geometría de coordinación y presionar para " #~ "insertar un fragmento.\n" #~ "\n" #~ "Seleccionar un ligando o grupo funcional y presionar sobe un átomo de " #~ "hidrógeno para unirlo." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Herramienta de Manipulación\n" #~ "\n" #~ "Botón Izquierdo del Ratón:\tPresionar y arrastrar para mover átomos\n" #~ "Botón Derecho del Ratón:\tPresionar y arrastrar para rotar los átomos " #~ "seleccionados.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "" #~ "Visualización sencilla de esferas de Van der Waals con oclusión ambiental." #~ msgid "Geometry" #~ msgstr "Geometría" #~ msgid "Add Unit Cell" #~ msgstr "Añadir Celda Unidad" #~ msgid "By Atomic Index" #~ msgstr "Por Índice Atómico" #~ msgid "By Distance" #~ msgstr "Por Distancia" #~ msgid "Select Water…" #~ msgstr "Seleccionar Agua…" #~ msgid "&Copy" #~ msgstr "&Copiar" #~ msgid "Molecule Name:" #~ msgstr "Nombre de la Molécula:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Peso Molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula Química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de Enlaces:" #~ msgid "TODO" #~ msgstr "TODO" #~ msgid "Line Size:" #~ msgstr "Tamaño de la línea:" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "Archivo de Entrada APBS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Seleccionar el intérprete de Python utilizado para ejecutar secuencias de " #~ "comandos generadores de entradas.\n" #~ "Avogadro debe ser reiniciado para que los cambios tengan efecto." #~ msgid "Set Python Path…" #~ msgstr "Establecer Ruta de Python…" #~ msgid "Fragment…" #~ msgstr "Fragmentar…" #~ msgid "Functional Groups" #~ msgstr "Grupos Funcionales" #~ msgid "Help..." #~ msgstr "Ayuda…" #~ msgid "Submit Calculation..." #~ msgstr "Enviar Cálculos…" #~ msgid "Save File..." #~ msgstr "Guardar Archivo…" #~ msgid "Download Plugins..." #~ msgstr "Descargar Complementos…" #~ msgid "Record Movie..." #~ msgstr "Grabar Película…" #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "El nombre del archivo contiene caracteres no válidos. Por favor, elegir " #~ "otro nombre para el archivo." #~ msgid "Other..." #~ msgstr "Otro…" #~ msgid "Client server operations." #~ msgstr "Operaciones cliente servidor." #~ msgid "S&erver" #~ msgstr "&Servidor" #~ msgid "Connection failed" #~ msgstr "Conexión fallida" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "La conexión a %2:%3 falló: conexión rechazada." #~ msgid "Remote service error" #~ msgstr "Error de servicio remoto" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "La conexión falló con: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "Cliente-Servidor/%1:%2/último directorio abierto" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Cliente-Servidor" #~ msgid "Connection refused" #~ msgstr "Conexión rechazada" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "¡Conexión a %2:%3 exitosa!" #~ msgid "Filename" #~ msgstr "Nombre del archivo" #~ msgid "Formula" #~ msgstr "Fórmula" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "Servidor MongoChem" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interfaz con el Servidor MongoChem." #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estructura de Bandas de YAeHMOP" #~ msgid "Server settings" #~ msgstr "Configuración del Servidor" #~ msgid "&Hostname:" #~ msgstr "&Nombre del hospedador:" #~ msgid "Port" #~ msgstr "Puerto" #~ msgid "Test C&onnection..." #~ msgstr "Probar &Conexión…" #~ msgid "Look in:" #~ msgstr "Mirar en:" #~ msgid "Navigate Back" #~ msgstr "Navegar hacia atrás" #~ msgid "Navigate Forward" #~ msgstr "Navegar hacia delante" #~ msgid "Navigate Up" #~ msgstr "Navegar hacia arriba" #~ msgid "File name:" #~ msgstr "Nombre de archivo:" #~ msgid "Files of type:" #~ msgstr "Archivos del tipo:" #~ msgid "MongoChem Config" #~ msgstr "Configuración de MongoChem" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "Clave API:" #~ msgid "Base URL:" #~ msgstr "URL Base:" #~ msgid "Config" #~ msgstr "Configurar" #~ msgid "Upload" #~ msgstr "Subir/Cargar" #~ msgid "Docker" #~ msgstr "Estibador" #~ msgid "Singularity" #~ msgstr "Singularidad" #~ msgid "Container:" #~ msgstr "Contenedor:" #~ msgid "Image:" #~ msgstr "Imagen:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"theory\": \"dft\",

\n" #~ "

\"functional\": \"b3lyp\",

\n" #~ "

\"basis\": \"6-31g\",

\n" #~ "

\"task\": \"energy\"

\n" #~ "

}

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

«toería»: \"dft\",

\n" #~ "

«funcional»: \"b3lyp\",

\n" #~ "

«base»: \"6-31g\",

\n" #~ "

«tarea»: \"energy\"

\n" #~ "

}

" #~ msgid "Input Parameters:" #~ msgstr "Parámetros de Entrada:" #~ msgid "Element & Ordinal" #~ msgstr "Elemento y Ordinal" #~ msgid "'c' coordinate." #~ msgstr "'c' coordenada." #~ msgid "All files (*);;" #~ msgstr "Todos los archivos (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rombohedral" #~ msgid "Layer" #~ msgstr "Capa" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molécula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No hay molecula seleccionada" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: El archivo existe y no permite escritura." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristal…" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Añadir Hidrógenos para el pH..." #~ msgid "Atom Properties..." #~ msgstr "Propiedades Atómicas..." #~ msgid "Bond Properties..." #~ msgstr "Propiedades de enlace..." #~ msgid "Angle Properties..." #~ msgstr "Propiedades del Ángulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propiedades de Torsión..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propiedades de la Molécula." #~ msgid "Create Surfaces..." #~ msgstr "Crear superficies..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetría" #~ msgid "Insert Fragment..." #~ msgstr "Insertar Fragmento..." #~ msgid "Theory:" #~ msgstr "Teoría:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distancia (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Distancia %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Ángulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ángulo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Torsión %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsión %1" #~ msgid "Torsion" #~ msgstr "Torsión" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energía (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sí" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "insertar Sonrisas" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insertar fragmento SONRISAS" #~ msgid "Insert Crystal" #~ msgstr "Insertar Cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insertar fragmentos moleculares para la construcción de grandes moléculas" #~ msgid "E&xtensions" #~ msgstr "E&xtensiones" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizar Geometría" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimización de geometría" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Añadir hidrógenos" #, fuzzy #~ msgid "Stopped" #~ msgstr "Parar" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superficies" #~ msgid "Color by Index" #~ msgstr "Color por índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Color por índice (rojo, naranja, amarillo, verde, azul, violeta)." #~ msgid "Color by Partial Charge" #~ msgstr "Color por carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Color por carga atómica parcial (azul = positiva, rojo = negativa)." #~ msgid "Custom Color:" #~ msgstr "Color personalizado:" #~ msgid "Set custom colors for objects" #~ msgstr "Establecer colores personalizados para los objetos" #~ msgid "Color by Distance" #~ msgstr "Color por distancia" #~ msgid "Color by distance from the first atom." #~ msgstr "Color por distancia desde el primer átomo." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Color por elemento (carbono = gris, oxígeno = rojo)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Color por residuo (tipo aminoácido, hidrofobiia, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Patrón SMARTS" #~ msgid "Highlight Color:" #~ msgstr "Resaltar color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Color por Patrón SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Resaltar características particulares que se ajustan a patrones SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununseptio" #~ msgid "Ununoctium" #~ msgstr "Ununoctio" #~ msgid "Engines" #~ msgstr "Motores" #~ msgid "Axes" #~ msgstr "Ejes" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Representa las primitivas usando esferas (átomos) y palos (enlaces)" #~ msgid "Hydrogen Bond" #~ msgstr "Enlace de Hidrógeno" #~ msgid "Renders hydrogen bonds" #~ msgstr "Representa enlaces de hidrógeno" #~ msgid "Select Atom Labels Color" #~ msgstr "Seleccionar el color de las etiquetas de los átomos" #~ msgid "Select Bond Labels Color" #~ msgstr "Seleccionar el color de las etiquetas de los enlaces" #~ msgid "Select Bond Labels Font" #~ msgstr "Seleccionar la tipografía de las etiquetas de los enlaces" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Dibuja átomos como tetraedros, octaedros y otros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Hace proteína troncales como cintas" #~ msgid "Ring" #~ msgstr "Anillo" #~ msgid "Renders rings with colored planes" #~ msgstr "Hace con anillos de colores planos" #~ msgid "Simple Wireframe" #~ msgstr "Alambre simple" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Hace bonos cables (líneas), ideal para grandes moléculas" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Varilla" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidad Electrónica, isosuperficie = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperficie = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Representa enlaces como alambres (líneas), ideal para (bio)moléculas muy " #~ "grandes" #~ msgid "Trajectory files" #~ msgstr "Archivos Trajectory" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Archivos DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir archivo Trajectory" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Añadiendo complemento .avi" #~ msgid "Animation..." #~ msgstr "Animación..." #~ msgid "Cannot read file format of file %1." #~ msgstr "No se puede leer el formato del archivo %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Falló lectura del archivo de trayectoria %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "El nombre del archivo .avi ha de ser válido" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL artilugio no se inicializa correctamente, a fin de salvar de vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nombre de archivo de vídeo no válido. Se debe incluir la ruta completa al " #~ "directorio" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nombre de archivo de vídeo no válido. Se debe incluir la ruta completa al " #~ "directorio y el nombre, acabado en .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Formato de archivo no reconocido: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animar trayectorias, reacciones y vibraciones." #~ msgid "Cartesian Editor" #~ msgstr "Editor Cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Sin definir una celda para la molécula -- no usar coordenadas decimales." #~ msgid "Cartesian Editor..." #~ msgstr "Editor Cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de enlaces rotables: %1" #~ msgid "Add constraint" #~ msgstr "Añadir reducción" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Tu molécula debe contener a lo menos un átomo para añadir una fuerza." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La molécula debe contener al menos dos átomos para añadir una restricción " #~ "de enlace." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Tu molécula debe contener a lo menos tres átomos para añadir una fuerza " #~ "angular ." #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Tu molécula debe contener a lo menos cuatro átomos para añadir una fuerza " #~ "de torsión" #~ msgid "&Crystallography" #~ msgstr "&Cristalografía" #~ msgid "&Reduce" #~ msgstr "&Reducir" #~ msgid "&Length Unit" #~ msgstr "Unidad de &longitud" #~ msgid "&Angle Unit" #~ msgstr "Unidad de á&ngulo" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinar &preservación" #~ msgid "&Matrix Display" #~ msgstr "&Mostrar Matriz" #~ msgid "Hide &Editors" #~ msgstr "Ocultar &editores" #~ msgid "Show &Editors" #~ msgstr "Mostrar &editores" #~ msgid "Hide &Property Display" #~ msgstr "Ocultar &Propiedades de Pantalla" #~ msgid "Show &Property Display" #~ msgstr "Mostrar &Propiedades de pantalla" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo de enrejado: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Espacio de grupo: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volumen de celda: %L1%2" #~ msgid "Undefined" #~ msgstr "No definido" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorrómbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "Paste Crystal" #~ msgstr "Pegar Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reducción fallado. La estructura de entrada de red que se confunde " #~ "el algoritmo de reducción de Niggli. Trate de hacer una pequeña " #~ "perturbación (aprox. 2 órdenes de magnitud menor que la tolerancia) a las " #~ "celosías de entrada y vuelva a intentarlo." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "No se ha podido reducir la celda después de 1000 iteraciones del " #~ "algoritmo de reducción. Deteniendo" #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotar a Orientación Estándar" #~ msgid "&Slab..." #~ msgstr "&Slab" #~ msgid "Perceive Space&group..." #~ msgstr "Percibir el espacio y el grupo ..." #~ msgid "Set &Spacegroup..." #~ msgstr "Asignar Grupo Espacial" #~ msgid "&Fill Unit Cell" #~ msgstr "Rellenar Celda Unidad" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Rellenar la unidad usando el grupo espacial actual" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reducir a unidad asimétrica" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Retire átomos en posiciones equivalentes (inverso del relleno de Unidad " #~ "celular)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Dar si&metría al cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reducir Celda (&Primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "Nanómetro" #~ msgid "&Picometer" #~ msgstr "Picómetro" #~ msgid "&Degree" #~ msgstr "&Grado" #~ msgid "&Radian" #~ msgstr "&Radián" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar Coordenadas &Cartesianas Durante la Modificación de la Célula" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar Coordenadas &Fraccionarias Durante la Modificación de la Célula" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar matriz &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostrar matriz &fraccionaria" #~ msgid "Display as &row vectors" #~ msgstr "Mostrar como vectores en &columna" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como vectores de &columna" #~ msgid "&Crystal View Options..." #~ msgstr "Y opciones de visualización de cristal ..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

La percepción de grupo espacial %1, Símbolo Hall %2, Símbolo de " #~ "Hermann-Mauguin %3.

La Célula puede ser simetrizada en una " #~ "configuración convensional, ¿desea hacerlo? Acciones que hacen uso de la " #~ "simetría (por ejemplo, el constructor de supercelda) requiere esto.

" #~ msgid "Set Spacegroup" #~ msgstr "Asignar un grupo de espacio" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "No hay un grupo de espacio asignado para este documento.\n" #~ "\n" #~ "¿Le gustaría asignar un grupo de espacio ahora?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Se ha detectado un grupo de espacio P1 -- no se ha podido hacer simétrico " #~ "este grupo de espacio.\n" #~ "\n" #~ "¿Le gustaría intentar de nuevo con una tolerancia diferente?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Convertír átomos en celdas" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reducir a una celda del tipo Niggli" #~ msgid "Crystallography" #~ msgstr "Cristalografía" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construir y Analizar estructuras periódicas" #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "La entrada no está formateada como uno de\n" #~ "los siguientes formatos soportados:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Composición errónea" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "El campo de las identidades debe contener el mismo número de entradas " #~ "delimitados por espacios como la línea 6 del POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenadas cartesianas" #~ msgid "Fractional Coordinates" #~ msgstr "Coordenadas Fraccionarias" #~ msgid "Set Fractional Coordinates" #~ msgstr "Establecer Coordenadas Fraccionarias" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Establecer Matriz Celular Unitaria" #~ msgid "Set Unit Cell Params" #~ msgstr "Establecer Parámetros de la Célula Unitaria" #~ msgid "Working..." #~ msgstr "Procesando..." #~ msgid "Build" #~ msgstr "Construcción" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Por favor seleccione uno o más átomos." #~ msgid "Trajectory..." #~ msgstr "Trayectoria..." #~ msgid "Open chemical file format" #~ msgstr "Abrir formato de archivo químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Archivos químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir archivo de parámetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Archivos químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar trayectoria" #~ msgid "Import trajectory files" #~ msgstr "Importar archivos de trayectoria" #~ msgid "Calculate Energy" #~ msgstr "Calcular Energía" #~ msgid "Conformer Search..." #~ msgstr "Búsqueda de Confórmeros..." #~ msgid "Constraints..." #~ msgstr "Impedimentos..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "No fue posible establecer la energía potencial para la molécula. " #~ "Cambiando a UFF." #~ msgid "Systematic Rotor Search" #~ msgstr "Búsqueda sistemática de rotores" #~ msgid "Random Rotor Search" #~ msgstr "Búsqueda aleatoria de rotores" #~ msgid "Weighted Rotor Search" #~ msgstr "Búsqueda ponderada de rotores" #~ msgid "ForceField" #~ msgstr "Campo de fuerzas" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimizar y generar moléculas conformers utilizando campos de fuerza " #~ "mecánica molecular" #~ msgid "&Vector Graphics..." #~ msgstr "Gráficos &vectoriales..." #~ msgid "Common vector image formats" #~ msgstr "Formatos de imágenes vectoriales comunes" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportación de gráfico de vector" #~ msgid "Change H to Methyl" #~ msgstr "Cambiar H a Metilo" #~ msgid "H to Methyl" #~ msgstr "H a metilo" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrógenos transformar a los grupos metilo" #~ msgid "Add or remove hydrogens" #~ msgstr "Agregar o quitar hidrógenos" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insertar cadenas de ADN/ARN" #~ msgid "Peptide..." #~ msgstr "Péptido ..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insertar secuencias Oligopeptide" #~ msgid "Invert Chirality" #~ msgstr "Resolución óptica (Chirality) inversa" #~ msgid "InvertChiral" #~ msgstr "ChiralInverso" #~ msgid "Invert chiral centers" #~ msgstr "Invertir el centro del quiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconocido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "(" #~ msgid "Display standard molecular properties." #~ msgstr "Pantalla estándar de propiedades moleculares." #~ msgid "Fetch by chemical name..." #~ msgstr "Buscar por nombre químico" #~ msgid "Fetch from URL..." #~ msgstr "Obtener de URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada de PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descargar." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL de la molécula a ser descargada." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molécula especificada no pudo ser cargada: %1" #~ msgid "Network Fetch" #~ msgstr "Obtener de la red" #~ msgid "Fetch molecule files over the network." #~ msgstr "Obtener la molécula a través de la red." #~ msgid "Show Preview" #~ msgstr "Mostrar previsualización" #~ msgid "Hide Preview" #~ msgstr "Ocultar previsualización" #~ msgid "Intensities" #~ msgstr "Intensidades" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Guardar imagen POV-Ray renderizada" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Archivos de imágenes (*.png, *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No se ha dado un nombre de archivo válido." #~ msgid "Does not compute." #~ msgstr "No computa." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Se solicito la generacion no directa de una imagen usando POV-Ray y " #~ "eliminar el archivo POV-Ray. La imagen no sera salvada. Deseas " #~ "continuar?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Imposible escribir en el archivo %1. Tienes permiso para escribir en ese " #~ "lugar?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray ha fallado al iniciarse." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray ha fallado al iniciarse. Quizás la ruta a su ejecutable no sea la " #~ "correcta." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crear archivos POV-Ray y generar las imagenes usando la linea de " #~ "comandos en POV-Ray" #~ msgid "Conformer Properties..." #~ msgstr "Propiedades del confórmero..." #~ msgid "Python Terminal" #~ msgstr "Terminal de Python" #~ msgid "pythonTerminalDock" #~ msgstr "Enter string" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiva para hacer scripts de python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Entrada Abinit cubierta del generador de advertencia" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "¿Desea actualizar la vista previa del texto, perdiendo los cambios " #~ "realizados en la entrada Abinit del panel de vista previa?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Espacio de entradas de Abinit" #~ msgid "Abinit Running." #~ msgstr "Ejecutandose Abinit." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit está corriendo. Por favor espere hasta que el cálculo anterior " #~ "termine." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit no está instalado." #~ msgid "The abinit executable cannot be found." #~ msgstr "No se encuentra el ejecutable de abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit no inició. Quizás no está instalado correctaemente." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit no se ejecutó correctamente. Quizás no está instalado " #~ "correctamente." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Generador de alerta del archivo de entrada Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Quiere actualizar la vista previa del texo, perdiendo todos los cambios " #~ "realizados en el archivo de entrada Dalton del panel de previsualizacion?" #~ msgid "QM Matches" #~ msgstr "Aciertos QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selección de EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selección para mecánica cuántica" #~ msgid "You must make a selection!" #~ msgstr "¡Debes hacer una selección!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversión de SMILES no disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "¡Conversión de formato SMILES no disponible!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crear archivos de entrada de la química cuántica GAMESS paquete" #~ msgid "Advanced Settings Changed" #~ msgstr "Ajustes Avanzados Cambiados" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Los Ajustes Avanzados han cambiado.\n" #~ "¿Descartar?" #~ msgid "Advanced Settings Reset" #~ msgstr "Restablecer Ajustes Avanzados" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "¿Estás seguro que deseas restablecer los ajustes avanzados?\n" #~ "¡Todos los cambios se perderán!" #~ msgid "Basic Settings Reset" #~ msgstr "Restablecer Ajustes Básicos" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "¿Estás seguro que deseas restablecer los ajustes básicos?\n" #~ "¡Todos los cambios se perderán!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Alerta del espacio de entrada de GAMESS-Reino Unido" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "¿Le gustaría actualizar el texto preliminar, perdería todos los cambios " #~ "introducidos en el panel de vista previa en la GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Cubierta de entrada de GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Entrada cubierta Generador Advertencia" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "¿Desea actualizar la vista previa de texto, de perder todos los cambios " #~ "realizados en la cubierta de entrada de Gaussian panel de vista previa?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussiano de entrada en cubierta" #~ msgid "Gaussian Running." #~ msgstr "Gaussian calculando." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussián ya está ejecutándose. Espere hasta que el cálculo previo haya " #~ "terminado." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian No Está instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "El ejecutable G03 no se ha encontrado." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 no se inició. Quizás no esté instalado correctamente." #~ msgid "Running Gaussian calculation..." #~ msgstr "Ejecutando cálculo gaussiano" #~ msgid "G03 Crashed." #~ msgstr "G03 se ha colgado." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian no se ejecutó correctamente. Quizás no está instalado " #~ "correctamente." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Generador de Advertencias de la Bandeja de Entrada Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "¿Le gustaría actualizar el texto preliminar, perdería todos los cambios " #~ "introducidos en la bandeja de entrada Molpro del panel de vista previa?" #~ msgid "Molpro Input Deck" #~ msgstr "Bandeja de Entrada Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Entrada Mopac Advertencia" #~ msgid "MOPAC Input Deck" #~ msgstr "Bandeja de entrada MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Mopac Atletismo." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Mopac ya se está ejecutando. Espere hasta que el cálculo anterior ha " #~ "terminado." #~ msgid "MOPAC Not Installed." #~ msgstr "Copiar texto No Mopac instala." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "El Mopac ejecutable, no se puede encontrar." #~ msgid "MOPAC failed to start." #~ msgstr "Mopac Error al iniciar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Mopac no comenzó. Tal vez no está instalado correctamente." #~ msgid "Running MOPAC calculation..." #~ msgstr "Correr Mopac cálculo ..." #~ msgid "MOPAC Crashed." #~ msgstr "Mopac estrelló." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Mopac no ejecutarse correctamente. Tal vez no está instalado " #~ "correctamente." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Aviso del generador de entrada para NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "¿Quieres actualizar el texto de vista previa, perdiendo los cambios " #~ "realizados en" #~ msgid "NWChem Input Deck" #~ msgstr "Bloque de entrada de NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Entrada cubierta de generador de alerta" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Entrada cubierta" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Cubierta de entrada del generador de alerta" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "¿Desea actualizar la vista previa de texto, de perder todos los cambios " #~ "realizados en el Q-Chem de entrada cubierta de panel de vista previa?" #~ msgid "QChem Input Deck" #~ msgstr "Bandeja de Entrada QChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "¿Quieres actualizar el texto de vista previa, perdiendo todos los cambios " #~ "realizados en el panel de vista previa de entrada TeraChem cubierta?" #~ msgid "Select SMARTS..." #~ msgstr "Seleccionar SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Añadir Selección Nombrada..." #~ msgid "SMARTS Selection" #~ msgstr "Selección SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Selección del patrón SMARTS" #~ msgid "There is no current selection." #~ msgstr "No hay una selección activa." #~ msgid "Add Named Selection" #~ msgstr "Añadir Selección Nombrada" #~ msgid "Name cannot be empty." #~ msgstr "El Nombre no puede estar vacío" #~ msgid "There is already a selection with this name." #~ msgstr "Ya hay una selección con este nombre" #~ msgid "Selections" #~ msgstr "Selecciones" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seleccionar átomos, cadenas, residuos ..." #~ msgid "GLSL Shaders..." #~ msgstr "Sombras GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Abrir un archivo fuente de sombreado de vértices" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Archivos de sombreado de vértices (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Abrir un archivo fuente de sombreado de fragmentos" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Archivos de sombreado de fragmentos (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Abrir un archivo de parámetros de sombreado" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Archivos de parámetros de sombras (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Sombras GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Cargar y usar sombreados OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensidad (unidades arb.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densidad de estados (estados/elemento)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densidad de estados (estados/átomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densidad de estados (estados/electrones de valencia)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitancia (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbancia (%)" #~ msgid "No intensities" #~ msgstr "Sin intensidades" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Los datos de vibración en la molécula que ha cargado no tienen datos de " #~ "intensidad. Intensidades se han fijado a un valor arbitrario para la " #~ "visualización." #~ msgid "Activity" #~ msgstr "Actividad" #~ msgid "X Axis" #~ msgstr "Eje X" #~ msgid "Y Axis" #~ msgstr "Eje Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Ajustes de espectros infrarrojos" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Ajustes de espectros &RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS (Densidad de estados)" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV (espectro Ultra-Violeta)" #~ msgid "&UV Settings" #~ msgstr "&Configuraciones UV" #~ msgid "&CD Settings" #~ msgstr "&Configuraciones CD" #~ msgid "&Raman Settings" #~ msgstr "&Configuraciones raman" #~ msgid "No data" #~ msgstr "Sin datos" #~ msgid "Dark" #~ msgstr "Óscuro" #~ msgid "Publication" #~ msgstr "Publicación" #~ msgid "Handdrawn" #~ msgstr "Dibujar a mano" #~ msgid "New Scheme" #~ msgstr "Nuevo esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirmar la eliminación del esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Desea realment eliminar actual esquema?" #~ msgid "Change Scheme Name" #~ msgstr "Cambiar nombre del esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Ingrese nuevo nombre para actual esquema" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores separados por tabulador" #~ msgid "Tab Separated Values" #~ msgstr "Valores separados por tabulador" #~ msgid "Comma Separated Values" #~ msgstr "Valores separados por coma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Tipo de archivo desconocido: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Datos IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Datos IR Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Datos UV de Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Datos CD de Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Formato de datos" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato:" #~ msgid "Load Spectral Data" #~ msgstr "Cargar datos espectrales" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "El CD de datos Turbomole está formateado erróneamente: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato de archivo de imagen etiquetado" #~ msgid "Windows Bitmap" #~ msgstr "Mapa de bits de Windows" #~ msgid "Portable Pixmap" #~ msgstr "PPM (archivo mapa de pixeles portatil)" #~ msgid "X11 Bitmap" #~ msgstr "Mapa de bits de X11" #~ msgid "X11 Pixmap" #~ msgstr "XPM (archivo mapa de pixeles X11)" #~ msgid "Save Spectra Image" #~ msgstr "Guardar imagen del espectro" #~ msgid "&Advanced <<" #~ msgstr "&Avanzado <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanzado >>" #~ msgid "&Spectra..." #~ msgstr "Espectros..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualizar datos espectrales de cálculos de química cuántica" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Análisis Vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "No existe desplazamiento vibracional." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar los modos vibracionales de los cálculos de química cuántica" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Oredenando vibraciones %1 por frecuencia" #~ msgid "Super Cell Builder..." #~ msgstr "Creador de Súper Celda..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este documento es actualmente una molécula aislada. Necesita crear una " #~ "celda unitaria." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Crear y mostrar súper celdas cristalográficas" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitas Moleculares..." #~ msgid "Orbitals" #~ msgstr "Orbitales" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nada" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidad electrónica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipo no definido" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculando cubo de Van der Waals" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando el OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Superficies potenciales electroestática no estan aún soportadas" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcular orbitales moleculares y otras superficies" #~ msgid "&Nanotube Builder..." #~ msgstr "&Constructor de nanotubos" #~ msgid "Nanotube Builder" #~ msgstr "Constructor de Nanotubos" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Especificaciones de Nanotubos no válida" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "El nanotubo solicitado no puede ser construido por la siguiente razón:\n" #~ "Cualquiera n o m deben ser mayores que 1." #~ msgid "Insert Nanotube" #~ msgstr "Insertar Nanotubo" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construye nanotubos de carbono de pared sencilla." #~ msgid "Building..." #~ msgstr "Construyendo..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget no se inicio para realizar un video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget no tiene molecula" #~ msgid "Building video " #~ msgstr "Generando vídeo " #~ msgid "Could not run mencoder." #~ msgstr "No se pudo ejecutar mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Establecer relación de aspecto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "La escena activa de Avogadro tiene %1x%2 píxeles, por lo que su relación " #~ "de aspecto es %3.\n" #~ "Puede mantener este valor si, por ejemplo, pretende usar POV-Ray\n" #~ "para generar una imagen de %4x1000 píxeles, o bien puede introducir " #~ "cualquier otro valor positivo,\n" #~ "por ejemplo 1, si pretende usar POV-Ray para generar una imagen cuadrada, " #~ "como de 1000x1000 píxeles." #~ msgid "Connect" #~ msgstr "Conectar" #~ msgid "Disconnect" #~ msgstr "Desconectar" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Seguimiento Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Seguir movimiento utilizando mandos a distancia de Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexto OpenGL inválido.\n" #~ "Puede que algo esté completamente roto en la configuración de OpenGL " #~ "(¿puedes ejecutar alguna aplicación OpenGL?), o bien has encontrado un bug" #~ msgid "Debug Information" #~ msgstr "Información de depuración" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Tamaño de imagen: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomos: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indice %1 fuera de alcance" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "El tipo de archivo '%1' no está soportado para lectura" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "El tipo de archivo para el archivo '%1' no puede leerse" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "La lectura de la molecula con indice %1 del archivo '%2' ha fallado" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "reemplazar Molecula : indice %1 fuera de alcance" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "El tipo de archivo '%1' no puede escribirse" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "El tipo de archivo para el archivo '%1' no puede escribirse" #~ msgid "Could not open file '%1' for reading." #~ msgstr "No es posible abrir el archivo '%1' para lectura" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "No se pudo reemplazar la molecula con indice %1 en el archivo '%2'" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "El archivo %1 no pudo ser abierto para lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "El archivo %1 no pudo ser abierto para escritura" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Error al salvar el archivo molecular - No se pudo cambiar el nombre al " #~ "archivo original" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Error al salvar el archivo molecular - no se pudo salvar el nuevo archivo" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Error al salvar el archivo molecular - no se pudo eliminar el archivo " #~ "anterior" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Error al escribir la molecula en el archivo '%1'. Error en la funcion " #~ "OpenBabel" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "El archivo %1 no puede ser accesado para escritura" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Error al guardar los conformeros en el archivo '%1'" #~ msgid "Molecule %1" #~ msgstr "Molecula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motor Python Desconocido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: revisando " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - el codigo no tiene definido la clase 'Engine'" #~ msgid " - no module" #~ msgstr " - sin módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensión Python Desconocida" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: revisando " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - el codigo no tiene definida la clase 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Herramienta Python Desconocida" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: revisando " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - el codigo no tiene definida la clase 'Tool'" #~ msgid "Tools" #~ msgstr "Herramientas" #~ msgid "Align:" #~ msgstr "Alinear:" #~ msgid "Everything" #~ msgstr "Todo" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Herramienta de Auto Optimización\n" #~ "\n" #~ "Funciones de navegación al hacer click en el espacio vacío.\n" #~ "Izquierdo del ratón: \t Rotar Espacio\n" #~ "Centro del ratón: Zoom Espacio\n" #~ "Derecho del ratón: \t Mover Espacio\n" #~ "Doble clic: \t Restablecer vista\n" #~ "\n" #~ "Cuando se ejecuta:\n" #~ "Izquierdo del ratón: \t Haga clic y arrastre para mover átomos entre " #~ "ellos." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Opt. autom.: No se puede establecer el campo de fuerza..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Número de restricciones: %1" #~ msgid "Steps per Update:" #~ msgstr "Pasos por actualización:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinámica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinámica molecular (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Los átomos fijos se pueden mover" #~ msgid "Ignored atoms are movable" #~ msgstr "Los átomos ignorados se pueden mover" #~ msgid "AutoOpt Molecule" #~ msgstr "Optimizar molécula automáticamente" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimización automática de la geometría molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuraciones de AutoOptimizacion" #~ msgid "Auto Rotation Tool" #~ msgstr "Herramienta de Rotación Automática" #~ msgid "x rotation:" #~ msgstr "rotación de x:" #~ msgid "x rotation" #~ msgstr "rotación de x:" #~ msgid "y rotation:" #~ msgstr "rotación de y:" #~ msgid "y rotation" #~ msgstr "rotación de y" #~ msgid "z rotation:" #~ msgstr "rotación de z:" #~ msgid "z rotation" #~ msgstr "rotación de z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotación automática de moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Configuraciones de AutoGirar" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longitud de cadena: %L1" #~ msgid " Show Angles" #~ msgstr " Mostrar Ángulos" #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipular centrado en enlaces" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipular longitudes de enlace, ángulos y torsiones" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Ajustes de manipulacion de enlaces" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distancia (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distancia (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angulo Dihedral: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distancia(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Medir longitudes de enlace, ángulos y diedros" #~ msgid "Draw Bond" #~ msgstr "Dibujar enlace" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dibujar y editar átomos y enlaces" #~ msgid "Draw Settings" #~ msgstr "Configuraciones de Dibujo" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Trasladar, rotar y ajustar átomos y fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Configuraciones de manipulacion" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasladar, rotar y acercar al rededor de la vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuraciones de navegacion" #~ msgid "Selection Mode:" #~ msgstr "Modo de Selección:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/enlace" #~ msgid "Residue" #~ msgstr "Residuo" #~ msgid "Add Center of Atoms" #~ msgstr "Añadir centro de la molécula" #~ msgid "Change color of the atom" #~ msgstr "Cambiar el color del átomo" #~ msgid "Change label of the atom" #~ msgstr "Cambiar la etiqueta del átomo" #~ msgid "Change label of the bond" #~ msgstr "Cambiar la etiqueta del enlace" #~ msgid "Change radius of the atom" #~ msgstr "Cambiar el radio del átomo" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nuevo Radio, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Seleccionar átomos, residuos y moléculas" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Longitud de cadena" #~ msgid "Dihedral Angle" #~ msgstr "Angulo dihedral" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor de matriz Z" #~ msgid "Z-Matrix" #~ msgstr "Matriz-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crear/editar una matriz Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Ajustes para matriz Z" #~ msgid "Color residues by:" #~ msgstr "Colorear residuos por:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicidad" #~ msgid "Axes:" #~ msgstr "Ejes:" #~ msgid "Cartesian Axes" #~ msgstr "Ejes cartesianos" #~ msgid "Orthogonal Axes" #~ msgstr "Ejes Ortogonales" #~ msgid "Axis 1:" #~ msgstr "Eje 1:" #~ msgid "Axis 2:" #~ msgstr "Eje 2:" #~ msgid "Axis 3:" #~ msgstr "Eje 3:" #~ msgid "Origin:" #~ msgstr "Origen:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Atom Radius:" #~ msgstr "Radio Atómico:" #~ msgid "Bond Radius:" #~ msgstr "Radio del enlace:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom Vector" #~ msgstr "Vector personalizado" #~ msgid "Width:" #~ msgstr "Ancho:" #~ msgid "Cut-off radius:" #~ msgstr "Radio límite:" #~ msgid "Cut-off angle:" #~ msgstr "Ángulo límite:" #~ msgid "Rendering Engine:" #~ msgstr "Motor de renderizado:" #~ msgid "Text:" #~ msgstr "Texto:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbolo y Numero en grupo" #~ msgid "Symbol & Atom number" #~ msgstr "Simbolo y número atómico" #~ msgid "Partial charge" #~ msgstr "Carga parcial" #~ msgid "Residue number" #~ msgstr "Número del Residuo" #~ msgid "Custom data" #~ msgstr "Dato personalizado" #~ msgid "Change Font" #~ msgstr "Cambiar la fuente" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Bond length" #~ msgstr "Longitud del enlace" #~ msgid "Bond number" #~ msgstr "Número de enlace" #~ msgid "Bond order" #~ msgstr "Orden de enlace" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Incluir nitrógenos" #~ msgid "VdW Opacity:" #~ msgstr "Opacidad de Van der Waals:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Renderizar:" #~ msgid "Fill" #~ msgstr "Llenar" #~ msgid "Points" #~ msgstr "Puntos" #~ msgid "Draw Box:" #~ msgstr "Dibujar Caja:" #~ msgid "Mapped Colors" #~ msgstr "Colores mapeados" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostrar átomos" #~ msgid "Animate Trajectory" #~ msgstr "Animar trayectoria" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgid "Save as .avi..." #~ msgstr "Guardar como .avi" #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fraccionario" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, sólo coordenadas" #~ msgid "Apply Changes" #~ msgstr "Aplicar cambios" #~ msgid "Cut All" #~ msgstr "Cortar todo" #~ msgid "Paste to the End" #~ msgstr "Pegar al final" #~ msgid "(None)" #~ msgstr "(Ninguno)" #~ msgid "Sort by " #~ msgstr "Organizar por " #~ msgid "Number of atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Número de enlaces rotables:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar Átomo" #~ msgid "Fix Atom" #~ msgstr "Fijar Átomo" #~ msgid "Fix Atom X" #~ msgstr "Fijar Átomo X" #~ msgid "Fix Atom Y" #~ msgstr "Fijar Átomo Y" #~ msgid "Fix Atom Z" #~ msgstr "Fijar Átomo Z" #~ msgid "Torsion angle" #~ msgstr "Ángulo de Torsión" #~ msgid "Save" #~ msgstr "Guardar" #~ msgid "Load" #~ msgstr "Cargar" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "All" #~ msgstr "Todos" #~ msgid "File Import..." #~ msgstr "Importar archivo..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "¿Tratar de ver los enlaces?" #~ msgid "Setup Force Field" #~ msgstr "Configurar Campo de Fuerza" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Cantidad de pasos" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "I" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Hélice alfa" #~ msgid "Beta Sheet" #~ msgstr "Hoja beta" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residuos:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento dipolar (D)" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avanzado" #~ msgid "Grid" #~ msgstr "Cuadrícula" #~ msgid "POV-Ray Export" #~ msgstr "Exportar a POV-Ray" #~ msgid "Select..." #~ msgstr "Seleccionar…" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Usar suavizado (antialiasing) sobre toda la escena" #~ msgid "Antialias" #~ msgstr "Suavizado (antialias)" #~ msgid "Set the background color to be transparent" #~ msgstr "Poner el color de fondo transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparencia alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Generar la molécula directamente usando la línea de órdenes de POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Conservar fuente POV-Ray después de haberlo generado" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conservar fuente POV-Ray después de haberlo generado" #~ msgid "Path:" #~ msgstr "Ruta" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Compute..." #~ msgstr "Calcular..." #~ msgid "Dalton Input" #~ msgstr "Entrada Dalton" #~ msgid "Basics" #~ msgstr "Basicos" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Parallel" #~ msgstr "Paralelo" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Calidad de la red:" #~ msgid "coarse" #~ msgstr "grueso" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fino" #~ msgid "ultrafine" #~ msgstr "ultrafino" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Polarizability" #~ msgstr "Polaridad" #~ msgid "No. excitations:" #~ msgstr "Nº de excitanciones" #~ msgid "EFP Matches" #~ msgstr "Coincidencias EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta de Grupo:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Configuración Avanzada" #~ msgid "Hessian" #~ msgstr "Hessiano" #~ msgid "Stat Point" #~ msgstr "Punto de inicio" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Varios" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funciones de Polarización de Átomos Pesados:" #~ msgid "Read" #~ msgstr "Leer" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difundir S-Shell en átomos pesados" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difundir capa L en Átomos Pesados" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valencia Doble Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valencia Triple Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valencia de SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valencia de Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo de ECP:" #~ msgid "Default" #~ msgstr "Por defecto" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funciones de Polarización de Átomos Pesados:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funciones de Polarización de Átomos ligeros:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iteraciones Max SCF:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Punto de silla (Estado de transición)" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremos Relativos" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Mom. de Transición Radiativa." #~ msgid "Spin Orbit" #~ msgstr "Órbita de spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo Eléctrico Finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimización Global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimización FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensidades de Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ninguno (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo de SCF:" #~ msgid "Localization Method:" #~ msgstr "Método de Localización:" #~ msgid "Exec Type:" #~ msgstr "Tipo de ejecución:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinante de Ames Lab." #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espacio activo de ocupacion multiple restringida" #~ msgid "CI Singles" #~ msgstr "CI Individuales" #~ msgid "Full Second Order CI" #~ msgstr "CI Completo de Segundo Orden" #~ msgid "General CI" #~ msgstr "CI General" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC linealizado" #~ msgid "CCD: CC with Doubles" #~ msgstr "DCC: doble CC" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC con simples y dobles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Ejecución normal" #~ msgid "Check" #~ msgstr "Revisar" #~ msgid "Debug" #~ msgstr "Depurar" #~ msgid "Run Type:" #~ msgstr "Tipo de ejecución" #~ msgid "Use MP2" #~ msgstr "Usar MP2" #~ msgid "Use DFT" #~ msgstr "Usar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# de Variables de Z-Matriz" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Orden del Eje Principal:" #~ msgid "Coordinate Type:" #~ msgstr "Tipo de Coordinado:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenadas Únicas cartesianas" #~ msgid "Hilderbrant internals" #~ msgstr "Coordenadas internas de Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matriz-Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Usar Simetría durante el Cálculo" #~ msgid "Point Group:" #~ msgstr "Grupo puntual" #~ msgid "Minutes" #~ msgstr "Minutos" #~ msgid "Hours" #~ msgstr "Horas" #~ msgid "Days" #~ msgstr "Días" #~ msgid "Weeks" #~ msgstr "Semanas" #~ msgid "Years" #~ msgstr "Años" #~ msgid "Millenia" #~ msgstr "Milenios" #~ msgid "MegaWords" #~ msgstr "MegaPalabras" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forzar métodos paralelos" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producir un archivo de \"núcleo\" al abortar" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Método de Diagonalización" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipo de equilibrio de carga paralela" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Siguiente valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Usar Representación Externa de Datos para los Mensajes" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Lectura MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Guardado Mo (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omitir" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotar Orbitales Alfa y Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Mostrar la suposición inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfaz GAMESS a Otros Códigos" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forzar un tipo de ejecución de prueba" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versión de Reino Unido)" #~ msgid "Solvate with Water" #~ msgstr "Disolver con Agua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generar Orbitales Naturales UHF" #~ msgid "Direct SCF" #~ msgstr "SCF Directo" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calcular sólo cambios en la matriz de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercambio de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercambio de Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlación de Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlación de Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "VWN: Intercambio de Slater + VWN correlación" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercambio de BECKE + correlación VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercambio de BECKE + correlación LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercambio de Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercambio de Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "Correlación Progresiva de un parámetro" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Intercambio de SLATER + correlación Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Intercambio de SLATER + correlación OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Intercambio de BECKE + correlación OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Intercambio de GILL + correlación VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Intercambio de GILL + correlación LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Intercambio PBE + correlación VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: intercambio PBE + correlación LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Intercambio PBE + correlación OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercambios HF y BECKE + correlación LYP" #~ msgid "Grid-Free" #~ msgstr "Sin cuadrícula" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicado en Cada Nodo" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuído entre Todos los Nodos" #~ msgid "words" #~ msgstr "palabras" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcular Propiedades MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Umbral de retención integral" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar Orbitales Localizados" #~ msgid "# of Core Electrons:" #~ msgstr "# de Electrones del Núcleo:" #~ msgid "Transformation Method" #~ msgstr "Método de Transformación" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenamiento binario en dos fases" #~ msgid "Segmented Transformation" #~ msgstr "Transformación Segmentada" #~ msgid "Numeric" #~ msgstr "Numérico" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiano doblemente diferenciada" #~ msgid "Print Internal Force Constants" #~ msgstr "Mostrar Constantes de Fuerza Internas" #~ msgid "Displacement Size:" #~ msgstr "Tamaño desplazado" #~ msgid "Purify Hessian" #~ msgstr "Purificar Hessiano" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessiano Inicial" #~ msgid "Guess (+ define)" #~ msgstr "Suponer (+ definir)" #~ msgid "Read (from $HESS)" #~ msgstr "Leer (de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualizar Tamaño del Paso" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Imprimir orbitales en cada iteración" #~ msgid "Jump Size:" #~ msgstr "Tamaño del Salto:" #~ msgid "Stationary Point" #~ msgstr "Extremo Relativo" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimización de Función Racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximación Cuadrática" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimización restringida" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcular hessiano cada:" #~ msgid "Follow Mode:" #~ msgstr "Modo de Seguimiento:" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "Z-matrix" #~ msgstr "matriz-Z" #~ msgid "Gaussian Input" #~ msgstr "Entrada Gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estándar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punto de revisión:" #~ msgid "Z-matrix (compact)" #~ msgstr "matriz-Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Cuarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada para NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada de Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Cargar sombras" #~ msgid "Shader Name:" #~ msgstr "Nombre del sombreado:" #~ msgid "Vertex Shader:" #~ msgstr "Sombras de vértices:" #~ msgid "Fragment Shader:" #~ msgstr "Sombras fragmentadas:" #~ msgid "Assign Shader" #~ msgstr "Asignar sombras" #~ msgid "Display Type:" #~ msgstr "Tipo de display:" #~ msgid "Font:" #~ msgstr "Fuente:" #~ msgid "Change Font..." #~ msgstr "Cambiar fuente ..." #~ msgid "Foreground:" #~ msgstr "Primer plano:" #~ msgid "New..." #~ msgstr "nuevo..." #~ msgid "Rename..." #~ msgstr "Renombrar ..." #~ msgid "&Schemes:" #~ msgstr "&Regímenes:" #~ msgid "&DPI:" #~ msgstr "&DPI" #~ msgid "&Width:" #~ msgstr "&Ancho:" #~ msgid "&Height" #~ msgstr "&Altura" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "en" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utilice un valor optimizado para el tamaño de la fuente en lugar del " #~ "régimen valor especificado (imagen de pantalla para tamaños en puntos no " #~ "se traducen bien!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Ajuste automático de F & tienen Tamaño" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Ancho:" #~ msgid "&Label peaks" #~ msgstr "&Etiqueta picos" #~ msgid "Energy units:" #~ msgstr "Unidades de energía:" #~ msgid "Density units" #~ msgstr "Unidades de densidad" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Eje Unidades:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Ancho:" #~ msgid "Reset &Plot Axes" #~ msgstr "Restablecer &Parcela Ejes" #~ msgid "Label Peaks:" #~ msgstr "Picos de etiqueta:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibraciones Moleculares" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Actividad (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Mostrar espectro..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "Las frecuencias de vibración más altas mostrarán movimiento más rápido" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocidad de animacion establecida por frecuencia" #~ msgid "Display force &vectors" #~ msgstr "Mostrar fuerza &vectores" #~ msgid "Surface Type:" #~ msgstr "Tipo de superficie:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baja" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Media" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Muy alta" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "En tipo de presentación:" #~ msgid "New Display" #~ msgstr "Nueva presentación" #~ msgid "Advanced..." #~ msgstr "Avanzado..." #~ msgid "&Cap with hydrogen" #~ msgstr "Casquillo con hidrógeno" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Esto puede tomar un tiempo. Si solamente los átomos coordinados\n" #~ "son necesarios (digamos, para un cálculo de mecánica cuántica),\n" #~ "un enlace simple sólo una representación debería ser suficiente." #~ msgid "Find &double bonds" #~ msgstr "Buscar &enlaces dobles" #~ msgid "Display visual cues" #~ msgstr "Mostrar indicaciones visuales" #~ msgid "Python Settings" #~ msgstr "Configuración de Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriz Z" OpenChemistry-avogadrolibs-ceb949f/i18n/et.po000066400000000000000000010033041516317240700212220ustar00rootroot00000000000000# Estonian translation for avogadro # Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2012. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-08-27 08:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Estonian \n" "Language: et\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.13\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Tundmatu" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vesinik" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Heelium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Liitium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berüllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Süsinik" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Lämmastik" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Hapnik" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neoon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Naatrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magneesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumiinium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Räni" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Väävel" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Kloor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argoon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kaalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kaltsium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titaan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanaadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Kroom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangaan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Raud" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Koobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Vask" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Tsink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germaanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arseen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Seleen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Broom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krüptoon" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubiidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontsium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ütrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Tsirkoonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Nioobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molübdeen" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tehneetsium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruteenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Roodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Pallaadium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Hõbe" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kaadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tina" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telluur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jood" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenoon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Tseesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Baarium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantaan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Tseerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodüüm" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodüüm" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promeetium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samaarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Euroopium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadoliinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Düsproosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tuulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Üterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Luteetsium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantaal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Reenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iriidium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Plaatina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Kuld" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Elavhõbe" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plii" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Vismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Poloonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astaat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radoon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Frantsium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Raadium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktiinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Toorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktiinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uraan" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptuunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutoonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Ameriitsium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kuurium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkeelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendeleevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobeelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lavrentsium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitneerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Röntgeenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Koperniikium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihoonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleroovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskoovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermoorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessiin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganessoon" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Jõud" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Pinnad" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Eemalda aatom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 #, fuzzy msgid "Axis:" msgstr "Telg:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Kohandatud värv…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Osalaeng…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "sekundaarset struktuuri" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminohapped" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Värv jäägi järgi" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Arvuta" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tüüp" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Aatom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Aatom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Aatom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Aatom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Elemendi nimi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Elemendi sümbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Aatomi number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Geomeetriline optimeerimine" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipoolmoment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Kaugus:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Sagedused" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gaas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Vesi" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Eemalda vesinikke" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Vesinikud" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vesinikud" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Värv:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekulaarsed…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekulaarsed omadused" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molekuli omadused" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Lisa pH jaoks vesinikke…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Eemalda vesinikke" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Lisa vesinikke (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Lisa pH jaoks vesinikke" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "videofailid (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valentsus" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 #, fuzzy msgid "Atom" msgstr "Aatom" #: qtplugins/propertytables/propertymodel.cpp:666 #, fuzzy msgid "Start Atom" msgstr "Esimene aatom" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Viimane aatom" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Sidemete järjekord" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Pikkus (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Sekundaarset Struktuur" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Nurk (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Alfa heeliks" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Sidemete omadused…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Nurkade omadused…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Omadused" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Sidemete omadused" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Nurkade omadused" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Vali jäägi järgi…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Vali jäägi" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Vali" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Energia" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Osalaeng" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tüüp:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartiinhape" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Tsüsteiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutamiinhape" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glütsiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleutsiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Trüptofaan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treoniin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Seriin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proliin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenüülalaniin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lüsiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leutsiin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereokeemia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Sirge agel" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Ahela number:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Uue peptiidi ahelanumber" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Hele" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Arvuta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Annika, ,Launchpad Contributions:,Annika,Avogadro " "Team, ,Launchpad Contributions:,Annika,Avogadro Team, ,Launchpad " "Contributions:,Annika,Avogadro Team" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,aennok@gmail.com,,,aennok@gmail.com,avogadro-" "devel@lists.sourceforge.net,,,aennok@gmail.com,avogadro-" "devel@lists.sourceforge.net,,,aennok@gmail.com,avogadro-" "devel@lists.sourceforge.net" #, fuzzy #~ msgid "Angles:" #~ msgstr "Nurk:" #, fuzzy #~ msgid " " #~ msgstr " " #~ msgid "..." #~ msgstr "..." #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Osalaeng" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Aatomi number" #, fuzzy #~ msgid "By Distance" #~ msgstr "Värv kauguse järgi" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Aatomi number" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Molekulaarsed omadused..." #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulaarmass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Keemiline valem:" #~ msgid "Number of Atoms:" #~ msgstr "Aatomite arv:" #~ msgid "Number of Bonds:" #~ msgstr "Sidemete arv:" #, fuzzy #~ msgid "Filename" #~ msgstr "Jäägi nimi" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktuur:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elemendi nimi" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Lisa pH jaoks vesinikke" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Sidemete omadused" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Sidemete omadused" #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Nurkade omadused" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Sidemete omadused" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekuli omadused..." #~ msgid "Rotatable" #~ msgstr "Roteeritav" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Nurk %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol):" #, fuzzy #~ msgid "No" #~ msgstr "Neoon" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geomeetriline optimeerimine" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Lisa pH jaoks vesinikke" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Pinnad" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Värv indeksi järgi (punane, oranž, kollane, roheline, sinine, lilla)." #~ msgid "Color by Partial Charge" #~ msgstr "Värv osalaengu järgi" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Värv aatomi osalaengu järgi (sinine = positiivne, punane = negatiivne." #~ msgid "Set custom colors for objects" #~ msgstr "Määra objektidele kohandatud värvid" #~ msgid "Color by distance from the first atom." #~ msgstr "Värv kauguse järgi esimesest aatomist." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Värv elemendi järgi (süsinik = hall, hapnik = punane, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Värv jäägi järgi (aminohappe tüüp, hüdrofoobsus, ..." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Engines" #~ msgstr "Mootorid" #~ msgid "Axes" #~ msgstr "Teljed" #~ msgid "Hydrogen Bond" #~ msgstr "Vesinikside" #~ msgid "Renders hydrogen bonds" #~ msgstr "Esitab vesiniksidemeid" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsi sfäärid" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektrontihedus, isopind = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isopind = %L2" #~ msgid "Number of atoms: %1" #~ msgstr "Aatomite arv: %1" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Keemiafailid (*.xyz)" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "Allalaaditava molekuli URL." #~ msgid ")" #~ msgstr ")" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vali aatomid, sidemed, jäägid..." #~ msgid "Y Axis" #~ msgstr "Y-telg" #~ msgid "Dark" #~ msgstr "Tume" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Residue" #~ msgstr "Jääk" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vali aatomid, jäägid ja molekulid" #~ msgid "Bond Radius:" #~ msgstr "Sideme raadius:" #~ msgid "Dipole:" #~ msgstr "Dipool:" #~ msgid "Radius:" #~ msgstr "Raadius:" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Jääkide arv:" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipoolmoment (D):" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "toll" #~ msgid "ppm" #~ msgstr "ppm" OpenChemistry-avogadrolibs-ceb949f/i18n/eu.po000066400000000000000000013206311516317240700212300ustar00rootroot00000000000000# Basque translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Julen Larrucea , 2022. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Basque \n" "Language: eu\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Sorta lana #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Ez da mezurik zehaztu." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output goi mailako JSON objektu bat izan behar du. " "Jasotakoa:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "String-a ez den ohartarazpen bat erantzun izan da." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'ohartarazpenak' kidea ez da array bat." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "'%1' erreferentzi fitxategia ez da existitzen." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Akatsa %1 fitxategia betetzean: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "'%1' fitxategiak egitura eskasa du. 'contents' string-a edo 'filePath' " "kideak falta dira." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' kidea ez da array bat." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' kidea falta da." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' kidea string bat izan behar du." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Erantzunak goi mailako JSON objektuak izan behar dira." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script-aren emaitza:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Sarrera Sortzailea" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Jarraitu" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Itxi" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Ezezaguna" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Arazoak egon dira sarrera sortzerakoan:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Ez daude gordetzeko sarrera fitxategirik!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Ezin da MoleQueue-ra konektatu" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Ezin da MoleQueue serbitzarira konektatu. Mesedez, ziurtatu abian dagoela " "eta saiatu berriz." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Bidali %1 kalkulaketa" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Lanak ez du behar bezala bukatu." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script-ak errorea sortu du:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Errore bat gertatu da:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Barneko errorea: ezin izan da '%1' izendun fitxategirentzako textu widget-ik " "aurkitu" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Ezin izan da %1 fitxategian idatzi." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Aukeratu itereera direktorio bat" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktorioa ez da existitzen!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktorioa ezin da irakurria izan!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Fitxategia gainidatzia izango da." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Fitxategia ez da idazgarria." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Sarrera fitxategia ezin izan da idatzia izan akats ezezagun baten erruz." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Sarrera fitxategiak ezin izan dira idatziak izan:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Ezin da sarrera fitxategietan idatzi:\n" "\n" "%1\n" "\n" "Abisuak:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Abisua:\n" "\n" "%1\n" "\n" "Jarraitu nahi duzu?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Sarrera fitxategiak idatzi" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Lana konfiguratu" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Lana MoleQueue-ra bidaltzen…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Lan bidalketa denboraz kanpo" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Abogadrok MoleQueue-ren erantzunaren zain denbora agortu du." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "%1 \"%2\" lana bukatzeko zain…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Itxaroteari utzi" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Bukatutako lanen informazioa bilatzen…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Lan berrreskuratzea denboraz kanpo" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Ez da molekularik ezarri BackgroundFileFormat-an!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Ez da fitxategi izenik zehaztu BackgroundFileFormat-en!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogeno" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helio" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbono" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogeno" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigeno" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silizio" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sufre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Kloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potasio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kaltzio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Eskandio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Banadio" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Kromo" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Burdin" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kupre" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galio" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Artseniko" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estrontzio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teknezio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Zilar" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Eztainu" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telurio" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Zesio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Zerio" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutezio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalo" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolframio" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Urre" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Merkurio" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talio" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Berun" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Frantzio" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerizio" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kurio" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einstenio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelebio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurentzio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrio" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hasio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernizio" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Teneso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Fitxategi guztiak" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Izenburua" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Oinarria" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Karga" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplizitatea" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[molekularik ez]" #: qtgui/layermodel.cpp:118 #, fuzzy, qt-format msgid "Layer %1" msgstr "%1 Geruza" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Puntu eta barrak" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Marrazkia" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Indarra" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiketa" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Azalerak" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Burdin-haria" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "Izengabea" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Ikuspegi berria sortu" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Taula Periodikoa" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: Denboraz kanpo (%3) hasteko " "itxaroten." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: ezin izan da stdin-ean idatzi " "(luzeera=%3, %4 byte idatzita, QProcess errorea: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: Denboraz kanpo (%3) bukatzeko " "itxaroten." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: ez ohiko iteera estatusa %3 " "(%4: %5)\n" "\n" "Output-a:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Akatsa script-a abiatzerakoan." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Script-ak ez du funzionatu." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Script-aren abiaketa denboraz kanpo dago." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Irakurketa errorea." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Idazkera errorea." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Errore ezezaguna." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Geruzak eraldatu" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Geruzak ezabatu" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Geruza informazioa ezabatu" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Geruza gehitu" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Geruza Informazioa Gehitu" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Geruza aldatu" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Gehitu Atomo Bat" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Ezabatu Atomoa" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Atomoak Ezabatu" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Doitu Hidrogenoak" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elementuak Aldatu" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Aldatu Elementua" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Aldatu Atomoaren Hibridazioa" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Aldatu Atomoaren Karga Formala" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Aldatu Atomoaren Kolorea" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Aldatu Atomoaren Geruza" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Gehitu Lotura Bat" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Lotura Ezabatua" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Ezabatu Loturak" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Lotura Ordenak Ezarri" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Aldatu Loturen Ordena" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Loturak Eguneratu" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Lotura Eguneratu" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Gelaxka Unitatea kendu" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Gelaxka Unitatea Eraldatu" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Atomoak Gelaxkan Multzotu" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Gelaxkaren Bolumena Eskalatu" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Super Gelaxka Eraiki" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli Erredukzioa" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Orientazio Estandarderaino Errotatu" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Jatorrizko Gelaxkara Murriztu" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Gelaxka Simetrizatu" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Bete Gelatxo Unitarioa" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Gelaxka Unitate Asimetrikora Murriztu" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekula Aldatu" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Ezarpenak" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Blokea." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Artxiboa" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Esportatu" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Eraiki" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elementua:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Lerrokatu" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Ardatza:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 #, fuzzy msgid "Center the atom at the origin." msgstr "atomoen jatorria aukeratua." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Lerrokatu molekulak ardatz kartesiar batera" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS abiarazi…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Irteera Fitxategia Ireki…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Sarrera" #: qtplugins/apbs/apbs.cpp:50 #, fuzzy msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Irteera Fitxategia Ireki" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX Fitxategia (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO Errorea" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Errorea (%1) egitura fitxategia irakurtzean." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Errorea" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Errorea OpenDX fitxategia Irakurtzerakoan: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Errorea OpenDX fitxategia irakurtzerakoan: Ez da kuborik aurkitu" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS tresnekin interakzionatu." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB Fitxategia Ireki" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Fitxategiak (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR Fitxategia Ireki" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Fitxategiak (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Akatsa" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Errorea APBS abiatzerakoan: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Mezedez PDB fitxategia aukeratu" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Ondo egin da" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS Sarrera Fitxategia Gorde" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Sarrera fitxategia '%1'-en idatzia" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Kolore Egokitua…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 #, fuzzy msgid "By Chain" msgstr "Kateak" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Karga Partziala…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "bigarren estruktura" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminoazidoak" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Espektrua" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Ikusi" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Kolorea Hondakinez Jarri" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimizazioa" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metodoa:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Tenperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Hasi" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Geldi" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Geometria Optimizatu" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamika Molekularra" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Erakutsi Lotura Anizkoitzak" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Loturetan Oinarritutako Manipulazioa" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Loturetan Oinarritutako Manipulazioa." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Loturak hauteman" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Lotura" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Loturak hauteman." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Bizkarrezurra" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Zinta" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Marrazkia" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Masa Zentrua Gehitu" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Hedapenak" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Script-ak" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Bestelakoa…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Kalkulatu" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angelua" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Mota" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atomoa 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atomoa 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atomoa 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Koordenatu editatu…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Koordenatu editatu" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Elementuaren izena." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Elementuaren sinboloa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atomo Aurkibideak." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomoaren zenbakia." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Petsonalizatua" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Turbomole Sarrera" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Kopiatu" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Ezabatu" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Geometria Optimizazioa" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mekanika Molekularra" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugatu Gradienteak" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Gradientearen malda" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Atomoak Gelaxkan &Multzotu" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "&Orientazio Standardera Errotatu" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Gelaxka &Bolumenera Eskalatu…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super Gelatxoa…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Gelaxka murriztu (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Gelaxka &Unitatea kendu" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Gelaxka &Unitatea gehitu" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Atomoak gelaxka unitatean mantendu." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 #, fuzzy msgid "The unit cell is already reduced." msgstr "Gelaxka unitatea hau dagoeneko." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momentu Bipolarra" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Marraztu" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Marrazketa Tresna\t(%1)\n" "\n" "Saguko ezker botoia:\tKlikatu eta tiratu Atomoak eta Loturak sortzeko\n" "Saguko eskuin botoia:\tAtomoa ezabatu" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Marraztu Atomoa" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distantzia:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Bakuna" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Bikoitza" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Hirukoitza" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Inportatu" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Erakutsi PDB-tik" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Deskargatzeko estruktura kimikoa." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Sarearen denbora agortu da edo beste akats bat omen dago." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Zehaztu den molekula ezin izan da aurkitu: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Erakutsi PDB-tik" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Konfiguratu…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Atomo Hautatuak Konpondu" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "Energia %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Indar-eremuen Optimizazioa" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS Sarrera" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Energia-Puntu Bakarra" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometria Oreka" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Trantsizio Egoera" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Maiztasunak" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Egin EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Nukleoaren Potentziala" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ezer ez" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gasa" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Ura" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Bakarra-t" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Bikoitza-t" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Hirukoitza-t" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Katioi (+2)" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Katioi (+1)" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutroa" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anioi (-1)" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Anioi (-2)" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Doitu Hidrogenoak" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Gehitu Hidrogenoak" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Ezabatu Hidrogenoak" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogenoak" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogenoak" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Txertatu" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "ADN/ARN-a sartu…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uraziloa" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "ADN-a sartu" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Kristala Inportatu" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Txertatu zatia" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Txertatu zatia" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Txertatu zati molekularrak molekula handiagoak bihur daitezen." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Kolorea:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID Bakarra" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elementua" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Aurrebistako textua eguneratu nahiko zenuke, Lammps-ek input atalean " "egindako aldaketa guztiak galduz?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opakotasuna:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Azalpenik Ez!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulatu" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Neurtu" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedroa:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angelua:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekularra…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Ezaugarriak" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propietate Molekularrak" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propietate Molekularrak" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV fitxategiak (*.csv);;Fitxategi guztiak (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Ezin da artxiboa ireki idazteko." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Esportatu…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Nabigatu" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Nabigatzeko tresna" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Izen Kimikoa" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Konfigurazio Behartutako Eremua…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Egokitzaile-Bilaketa…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Loturak hauteman" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Gehitu Hidrogenoak pH-rentzat…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Ezabatu Hidrogenoak" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Geometria Optimizatu (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "%1 ibilbide-artxiboa ez da bat etortzen atomoen kantitatearekin molekula " "(%2) honetan." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Gehitu Hidrogenoak (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Gehitu Hidrogenoak pH-rentzat" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Ezabatu Hidrogenoak (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Gustatuko litzaizuke aurreko testua eguneratzea, OpenMM sartzeko kubierta " "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Egoera" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Sarrera Sortzailea" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Lotura Dinamikoak" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Gelditu" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "bideo-artxiboak (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Balentzia" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Karga Formala" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Kolorea" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atomoa" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Hasierako Atomoa" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Amaierako Atomoa" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Loturen Ordena" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Luzera (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "Kateak" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Bigarren estruktura" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Erpina" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Angelua (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "π Helizea" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "α Helizea" #: qtplugins/propertytables/propertymodel.cpp:1201 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "β Orria" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 Helizea" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Propietate Atomikoak…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Loturaren Propietateak…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Propietate Angeluarrak…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Tortsioaren Propietateak…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Atomo-, lotura-, angelu- eta tortsio-propietateak ikusteko leihoa." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Ezaugarriak" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propietate Atomikoak" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Loturaren Propietateak" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propietate Angeluarrak" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Tortsioaren Propietateak" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Egokitzailearen Propietateak" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Grafiko Molekularra…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Grafiko Molekularra Bikote Bakartiekin…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Karga Atomikoa…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Open WFN Fitxategia" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN fitxategiak (*.wfn);;Fitxategi guztiak (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extentsioa" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Elementuz Hautatu…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Hondakinez Hautatu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Hautatu" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Hautatu" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Hautatutakoa" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Hasierako Atomoa" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Espazio taldea hauteman…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetrizatu" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Unitate Asimetrikora murriztu" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Bete Gelatxo Unitarioa…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Espaziotaldea" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Espazio taldearen hautemateak porrot egin du.\n" "\n" "Beste tolerantzia ezberdin batekin berriz saiatu nahiko zenuke?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Nazioartekoa" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Atari" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Espazio taldea aukeratu" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Espaziotaldea" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Espektrua" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infragorria" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektroi" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Estatuen Dentsitatearen" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Atzealdeko Kolorea Hautatu" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Hautatu Lehenengo Planoaren Kolorea" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Hautatu Kalkulatutako Kolore Espektrua" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Hautatu Inportatutako Kolore Espektrua" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Uhin-zenbakia (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Raman Espektrua" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intentsitateak" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Modulazioa (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "Altuen Okupatutako OM" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "Hondoen Ezokupatutako OM" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molekularra" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektroien Dentsitatea" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Orbital Molekularra %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(Altuen Okupatutako OM)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(Hondoen Ezokupatutako OM)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Azalerak Sortu…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Kalkulatzen Elektroien Dentsitatea" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Talde %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Hasi Animazioa" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Gelditu Animazioa" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Bibrazioa" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 huts egin du hasieran" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Elkarrizketa" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Inprimakia" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Txertatu zatia…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Iragazkia:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Sartu izen bat edo izen baten zati bat, horrekin bat egiten duten " "fitxategiak erakusteko." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Sartu" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Indar-eremua:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Ondo egin da!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Karga Partziala" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Mugak Gehitu" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Mota:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Gehitu" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Ados" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formatua:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Deuseztatu" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Ezarri" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Berrezarri Guztia" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Lehenespenak" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Gorde Artxiboa…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Oinarrizko Konfigurazioa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Izenburua:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kalkulatu:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super-Gelatxoaren Aukerak" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A errepikatu:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B errepikatu:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C errepikatu:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Ezarri" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ezkutatu" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Gelaxka unitatearen bolumena eskalatu" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TestuMarka" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Loturen Ordena:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Sarrera" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Sarrera:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Anizkoiztasuna:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Honekin:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Karga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "izena" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Azido Nukleikoak Sartu" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "ADN/ARN Eraikitzailea" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Azido Nukleikoak:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Zitosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sekuentzia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "Base bikote kopurua helizearen biraketa bakoitzeko" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Bestelakoa" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Baseak Biraketa Bakoitzeko:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Bakuna" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Bikoitza" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Arparagina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Azido Aspartikoa" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Zisteina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Azido Glutamikoa" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glizina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gli" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleuzina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Balina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirosina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofanoa" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leuzina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sekuentzia (N-tik C-ra)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereokimika:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminala:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Egitura:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Kate Etengabea" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Kate-Zenbakia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Peptido berriaren kate-zenbakia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Simulazioan zehar idatzia izango den XYZ fitxategiaren fitxategi izena." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "erreal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektroi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Ur Potentziala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angelua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomikoa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "lotura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "karga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipoloa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoidea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "osoa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "lerroa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekularra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "uhin paketea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Koordenatu fitxategiarentzako izena zehaztu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordenatuen datu fitxategia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Multzoa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Tenperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Nosé-Hoover kateen kopuru bat zehaztu NVT multzoan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Kateak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Simulazioaren denbora pausua, \"Unitateak\" zehazpenarekin bat datozenak." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Denbora Pausua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" "Simulazioan zehar idatzia izango den XYZ fitxategiaren fitxategi izena." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ bolkatu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Sistemaren dimentsio kopurua." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimentsioak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z mugaren stiloa aldatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y mugaren estiloa aldatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X mugaren estiloa aldatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Muga estiloak aukeratu X, Y eta Z norabideetan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Muga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Errepikapen kopurua X, Y eta Z norabideetan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Errepikatu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Errepikatu X norabidean." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Errepikatu Y norabidean." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Errepikatu Z norabidean." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Simulazioan egin beharreko pausu kopuru totala." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Pausu kopuru Totala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Bolkatze tartea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Simulazioarentzako hasierako atomoen azkartasunak." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Hasierako Azkartasunak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Aukeratu atomoentzako hasierako azkartasun banaketa." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gausiarra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniformea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Hasierako atomoen azkartasunak dohitu tenperatura honekin bat egin dezaten." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Sistemaren momentu lineala hasierako azkartasunetatik kendu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Momentu Lineala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Sistemaren momentu angeluarra hasierako azkartasunetatik kendu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Momentu Angeluarra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Simulazioan zehar output termodinamikoa kontrolatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Tartea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Output termodinamikoaren estiloa." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Lerro Bakarra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Hain bat lerro" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Forma Erabili" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translatu honen beste:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Honen inguruan errotatu:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Jatorria" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-ardatza" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-ardatza" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-ardatza" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Egokitzaile-Bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metodoa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Egokitzaile kopurua:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Errotore sistematikoa bilatu" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Ausazko errotore bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Pisuzko errotore bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Algoritmo genetiko bidezko bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Algoritmo genetikoaren aukerak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Semeak:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Mutagarritasuna:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Gradientearen malda" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Indar-eremua:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Erreferentzia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Bakuna" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Bikoitza" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Mugak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia Totala" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Uhin-luzera:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Puntu Kritikoko Erradioa:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kobalentea" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamainu Konstantea" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Eskalatze Faktorea:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Zabalera:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy msgid "Peak Threshold:" msgstr "Atalasea:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Itxura" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espektro Inportatua:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Erakutsi" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "tsv edo espektro esperimental bat inportatzen du gaininprimatzeko." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Atzeko Planoa:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Kalkulatutako Espektrua:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Datuak Esportatu" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Itxi" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrolak:\n" "Klik bikoitza ezkerreko botoian: Ezarri hasierako ardatz limiteak\n" "Klik eskuineko botoian + arrastatu: Mugitu adierazpidea\n" "Klik erdiko botoian + arrastatu: Zoom \n" "Mugitu gurpila: Zoom kurtsorerantz" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kalitatea: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baxua" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Ertaina" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Altua" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Oso Altua" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Azalerak Sortu" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Kolorea ezarri:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Potentzial Elektrostatikoa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Bereizmena:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Isoazaleraren Valioa:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Argia" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Kalkulatu" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerantzia:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Hetsia" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Laxo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Simetria detektatu" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Karga Formala:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Lineala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Lineala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Talde" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Talde:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Anplitudea:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Ander González, ,Launchpad Contributions:,Ander " "González,Avogadro Team, ,Launchpad Contributions:,Ander González,Avogadro " "Team, ,Launchpad Contributions:,Ander González,Avogadro Team, ,Launchpad " "Contributions:,Ander González,Avogadro Team, ,Launchpad Contributions:,Ander " "González,Avogadro Team, ,Launchpad Contributions:,Ander González,Avogadro " "Team,Julen Larrucea" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,julenl@gmail.com" #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Angelua:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Ezeztatu" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(zain)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Atomo-, lotura-, angelu- eta tortsio-propietateak ikusteko leihoa." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analitika" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Inportatu..." #~ msgid "Set Color..." #~ msgstr "Ezarri Kolorea..." #~ msgid "&Export..." #~ msgstr "&Esportatu..." #~ msgid "&Load data..." #~ msgstr "&Kargatu datuak..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Karga Partziala" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Marrazketa Tresna (F8)\n" #~ "\n" #~ "Saguko ezker botoia: \t Klikatu eta tiratu Atomoak eta Loturak sortzeko\n" #~ "Saguko eskuin botoia: \t Atomoa ezabatu" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Klikatu Neurtzeko (F12)\n" #~ "\n" #~ "Saguko ezker botoia: \t Aukeratu batetik hiru Atomorarte.\n" #~ "\t Distantziak 1-2 eta 2-3-ren arten neurtuko dira\n" #~ "\t Angelua 1-3-ren artean neurtuko da 2-a puntu komuna izanik\n" #~ "Saguko eskuin botoia: \t Neurketak berrezarri. Klik bikoitza: \t " #~ "Ikuspuntua berrezarri." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animazioa" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Marrazketa Tresna (F8)\n" #~ "\n" #~ "Saguko ezker botoia: \t Klikatu eta tiratu Atomoak eta Loturak sortzeko\n" #~ "Saguko eskuin botoia: \t Atomoa ezabatu" #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Gelaxka Unitatea gehitu" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomo Aurkibideak" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distantzia" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomo Aurkibideak" #, fuzzy #~ msgid "&Copy" #~ msgstr "Kopiatu Guztia" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "IUPAC-en bidezko Molekularen Izena:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Pisu Molekularra (g/mol)" #~ msgid "Chemical Formula:" #~ msgstr "Formula Kimikoa:" #~ msgid "Number of Atoms:" #~ msgstr "Atomo Kopurua:" #~ msgid "Number of Bonds:" #~ msgstr "Lotura Kopurua:" #~ msgid "TODO" #~ msgstr "EGITEKOA" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Saltoaren Tamaina" #, fuzzy #~ msgid "In." #~ msgstr "Sarrera:" #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Sarrera (*.in)" #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Fragmentuak" #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "DFT Funtzionala" #~ msgid "Other..." #~ msgstr "Beste batzuk..." #, fuzzy #~ msgid "Filename" #~ msgstr "Artxibo-Izena:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Kargatu fitxategia" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Nabigatu" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Nabigatu" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elementuaren izena" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Fitxategi guztiak" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboedrikoa" #~ msgid "Layer" #~ msgstr "Geruza" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Setatutako Molekularik ez" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Fitxategia existitzen da eta idazgarria da." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Zatitu..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Gehitu Hidrogenoak pH-rentzat" #~ msgid "Atom Properties..." #~ msgstr "Propietate Atomikoak..." #~ msgid "Bond Properties..." #~ msgstr "Loturaren Propietateak..." #~ msgid "Angle Properties..." #~ msgstr "Propietate Angeluarrak..." #~ msgid "Torsion Properties..." #~ msgstr "Tortsioaren Propietatek..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propietate Molekularrak..." #~ msgid "Create Surfaces..." #~ msgstr "Azalerak Sortu..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetria" #~ msgid "Insert Fragment..." #~ msgstr "Txertatu Zatia..." #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distantzia (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Biragarria" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformeroa %1\n" #~ "Luzeera %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformeroa %1\n" #~ "Angelua %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angelu %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformeroa %1\n" #~ "Tortsioa %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Tortsio %1" #~ msgid "Torsion" #~ msgstr "Tortsio" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Onartu" #~ msgid "No" #~ msgstr "Ukatu" #, fuzzy #~ msgid "Import" #~ msgstr "Inportatu" #~ msgid "Insert SMILES" #~ msgstr "SMILES-ak Txertatu" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES zatiak txertatu" #~ msgid "Insert Crystal" #~ msgstr "Kristala Sartu..." #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Txertatu zati molekularrak molekula handiagoak bihur daitezen" #~ msgid "E&xtensions" #~ msgstr "H&edapenak" #~ msgid "Symmetry Properties..." #~ msgstr "Simetri Propietateak..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Geometria Optimizatu" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometriaren Optimizazioa" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Gehitu Hidrogenoak" #, fuzzy #~ msgid "Stopped" #~ msgstr "Geldi" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Azalerak" #~ msgid "Color by Index" #~ msgstr "Koloreen Aurkibidea" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Koloreen Aurkibidea (gorria, laranja, horia, berdea, urdina, morea)." #~ msgid "Color by Partial Charge" #~ msgstr "Kolorea Karga Partzialez Ezarri" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Kolorea karga atomiko partzialez ordenatu (urdina positiboa, gorria " #~ "negatiboa)" #~ msgid "Custom Color:" #~ msgstr "Kolore Egokitua:" #~ msgid "Set custom colors for objects" #~ msgstr "Kolore egokituak objetuentzat erabili" #~ msgid "Color by Distance" #~ msgstr "Kolorea Distantziaz Jarri" #~ msgid "Color by distance from the first atom." #~ msgstr "Kolorea lehenengo atomoarekiko distantziaz jarri." #~ msgid "Color by Element" #~ msgstr "Kolorea elementuz jarri" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Kolorea elementuz jarri (C = grisa, O = gorria, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Kolorea Hondakinez Jarri (aminoazidoak, hidrofobizitatea, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Diseinua:" #~ msgid "Highlight Color:" #~ msgstr "Kolore Argienak:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Kolorea SMARTS Diseinuaz jarri" #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununseptio" #~ msgid "Ununoctium" #~ msgstr "Ununoctio" #~ msgid "Engines" #~ msgstr "Motoreak" #~ msgid "Axes" #~ msgstr "Ardatzak" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "x, y eta z ardatzak hasierara bueltatzen ditu" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Puntuak (atomoak) eta barrak (loturak) erabiliz errenderizatzen du" #~ msgid "Dipole" #~ msgstr "Bipolarra" #~ msgid "Hydrogen Bond" #~ msgstr "Hidrogeno Loturak" #~ msgid "Renders hydrogen bonds" #~ msgstr "Hidrogenoen loturak errenderizatzen ditu" #~ msgid "Select Atom Labels Color" #~ msgstr "Atomoen Etiketen Kolorea Hautatu" #~ msgid "Select Bond Labels Color" #~ msgstr "Loturen Etiketen Kolorea Hautatu" #~ msgid "Select Bond Labels Font" #~ msgstr "Loturen Etiketen Letra-tipoa Hautatu" #~ msgid "Polygon" #~ msgstr "Poligonoa" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "" #~ "Atomoak tetraedro-, oktoedro- eta beste poligono-formaz errenderizatzen " #~ "ditu" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Proteinen bizkarrezurra zintez errenderizatzen ditu" #~ msgid "Ring" #~ msgstr "Eraztuna" #~ msgid "Renders rings with colored planes" #~ msgstr "Kolore planozko eraztunez errenderizatzen du" #~ msgid "Simple Wireframe" #~ msgstr "Alanbre Sinple" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Loturak alanbre (lerro) gisa errenderizatzen ditu, apartekoa molekula " #~ "handientzat" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals-en Esferak" #~ msgid "Stick" #~ msgstr "Makila" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektroien dentsitatea, isoazalera = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isoazalera = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Loturak harien (lerro) moduan errenderizatzen ditu, apartekoa oso " #~ "(bio)molekula handientzat" #~ msgid "Trajectory files" #~ msgstr "Tarjektoria fitxategiak" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORIO fitxategia" #~ msgid "Open Trajectory File" #~ msgstr "Trajektoria Fitxategia ireki" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Gehitzen .avi estentzioa" #~ msgid "Animation..." #~ msgstr "Animazioa..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Ezin da %1 artxiboaren formatua irakurri." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Ezin da irakurri %1 ibilbide artxiboa" #~ msgid "Must specify a valid .avi file name" #~ msgstr ".avi artxibo izen onargarri bat adierazi behar da." #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL tresna ezin izan da ongi hasieratu bideo-artxiboa gordetzeko" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Bideo-artxiboaren izen ezonargarria. Direktorioaren ibilbide osoa " #~ "adierazi behar da" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Bideo-artxiboaren izen ezonargarria. Direktorioaren ibilbide osoa eta " #~ "izena adierazi behar dira, izena .avi-z amaitu behar da" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Ezinezkoa izan da %1 fitxategiko formatua zeaztea." #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Ibilbideak, erreakzioak eta bibrazioak animatu." #~ msgid "Cartesian Editor" #~ msgstr "Editore Kartesiarra" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Ez dago zelula unitariorik zehaztuta molekula honentzat -- ezin dira " #~ "erabili frakzio-koordenadak" #~ msgid "Cartesian Editor..." #~ msgstr "Editore Kartesiarra..." #~ msgid "Cartesian editor" #~ msgstr "Editore kartesiarra" #~ msgid "Number of atoms: %1" #~ msgstr "Atomo kopurua: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Lotura biragarrien kopurua: %1" #~ msgid "Add constraint" #~ msgstr "Muga gehitu" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Zure molekula muga bat gehitzeko atomo bat izan behar du gutxienez" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Zure molekula lotura-muga bat gehitzeko bi atomo izan behar ditu gutxienez" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Zure molekula angelu-muga bat gehitzeko hiru atomo izan behar ditu " #~ "gutxienez" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Zure molekula bihurdura-muga bat gehitzeko lau atomo izan behar ditu " #~ "gutxienez" #~ msgid "&Crystallography" #~ msgstr "&Kristalografia" #~ msgid "&Reduce" #~ msgstr "&Murriztu" #~ msgid "&Length Unit" #~ msgstr "&Luzera Unitatea" #~ msgid "&Angle Unit" #~ msgstr "&Angelu Unitatea" #~ msgid "&Coordinate Display" #~ msgstr "&Koodenatuak Erakutsi" #~ msgid "Coordinate &Preservation" #~ msgstr "Koodenatuak &Mantendu" #~ msgid "&Matrix Display" #~ msgstr "&Matrizea erakutsi" #~ msgid "Hide &Editors" #~ msgstr "Eskutatu &Editoreak" #~ msgid "Show &Editors" #~ msgstr "Erakutsi &Editoreak" #~ msgid "Hide &Property Display" #~ msgstr "Eskutatu &Propietateen leihoa" #~ msgid "Show &Property Display" #~ msgstr "Erakutsi &Propietateen leihoa" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Sare Mota: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Talde espaziala: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Gelaxka unitatearen bolumena: %L1%2" #~ msgid "Undefined" #~ msgstr "Definitu gabea" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinikoa" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinikoa" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombikoa" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonala" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonala" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubikoa" #~ msgid "Paste Crystal" #~ msgstr "Krisitala txertatu" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-erredukzioak porrot egin du. Input egituraren sareak Niggli-" #~ "erredukzio algoritmoa nahasten ari da. Input sareareari perturbazio txiki " #~ "bat egiten saitu (gutxi gora behera tolerantzia baino magnitude orden 2 " #~ "txikiagoa dena)." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gelaxkaren murrizpenak 1000 iterazio ondoren porrot egin du. Gelditzen." #~ msgid "&Slab..." #~ msgstr "&Lauza..." #~ msgid "Perceive Space&group..." #~ msgstr "Espazio&taldea hauteman..." #~ msgid "Set &Spacegroup..." #~ msgstr "Espazio&taldea ezarri..." #~ msgid "&Fill Unit Cell" #~ msgstr "Gelaxka Unitatea &Bete" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Gelaxka unitatea bete egungo espazio taldea erabiliz." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Unitate &Asimetrikora Murriztu" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Posizio baliokidea duten atomoak ezabatu (Gelaxka Unitatea Beteren " #~ "aurkakoa)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Kristala Sy&metrizatu" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Gelaxka Murriztu (&Jatorrizkoa)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometro" #~ msgid "&Picometer" #~ msgstr "&Picometro" #~ msgid "&Degree" #~ msgstr "&Graduak" #~ msgid "&Radian" #~ msgstr "&Erradianak" #~ msgid "Display &cartesian coordinates" #~ msgstr "Koordenatu &kartesiarrak erakutsi" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Koordenatu &Kartesiarrak Mantendu Gelaxka Aldaketetan Zehar" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Koordenatu %Zatikatuak Mantendu Gelaxkaren Eraldaketan Zehar" #~ msgid "Display &cartesian matrix" #~ msgstr "Matrize &kartesiarra erakutsi" #~ msgid "Display &fractional matrix" #~ msgstr "Matrize &zatikatua erakutsi" #~ msgid "Display as &column vectors" #~ msgstr "&Zutabe bektoreak erakutsi" #~ msgid "&Crystal View Options..." #~ msgstr "&Kristala ikusteko aukerak..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Autemandako espazio taldea %1, Hall ikurra %2, Hermann-Mauguin ikurra " #~ "%3.

Gelaxka ezarpen arruntera simetrizatua izan daiteke, hori egin " #~ "nahi duzu? Simetria erabiltzen duten ekintzek (ad. supergelaxka " #~ "eraikitzailea) hau behar dute.

" #~ msgid "Set Spacegroup" #~ msgstr "Espazio taldea ezarri" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Ez da dokumentu honentzako espazio talderik zehaztu.\n" #~ "\n" #~ "Espazio talde bat ezarri nahiko zenuke?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "P1 Espazio taldea hauteman da -- ezin da espazio talde hau simetrizatu.\n" #~ "\n" #~ "Beste tolerantzia ezberdin batekin berri saiatu nahiko zenuke?" #~ msgid "Symmetrize Crystal" #~ msgstr "Kristala Simetrizatu" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Niggli gelaxkara murriztu" #~ msgid "Crystallography" #~ msgstr "Kristalografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Egitura periodikoak eraiki eta analizatu." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Inputa ez dago ondorengo euskarridun\n" #~ "formatuetako batean formateatuta:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Formatua\n" #~ msgid "Bad Compostion" #~ msgstr "Konposizio txarra" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Identitateen atalak POSCAR-eko 6. lerroan bezain besteko espazioez " #~ "banaturiko sarrerak izan behar ditu." #~ msgid "Cartesian Coordinates" #~ msgstr "Koordenatu kartesiarrak" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Gelaxka Matrizea (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Gelaxka unitatearen matrizea ezarri" #~ msgid "Set Unit Cell Params" #~ msgstr "Gelaxka Unitate Parametroak Ezarri" #~ msgid "Working..." #~ msgstr "Lanean..." #~ msgid "Build" #~ msgstr "Eraiki" #~ msgid "No GLWidget?" #~ msgstr "GLWidget-ik ez?" #~ msgid "Please select one or more atoms." #~ msgstr "Mesedez aukeratu atomo bat edo gehiago." #~ msgid "Trajectory..." #~ msgstr "Ibilbidea..." #~ msgid "Open chemical file format" #~ msgstr "Ireki artxibo kimikoko formatua" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Artxibo kimikoak (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Ireki parametro-artxiboa" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Artxibo kimikoak (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Ibilbidea Inportatu" #~ msgid "Import trajectory files" #~ msgstr "Ibilbide-artxiboak inportatu" #~ msgid "Calculate Energy" #~ msgstr "Energia Kalkulatu" #~ msgid "Conformer Search..." #~ msgstr "Bilaketa Egokitua..." #~ msgid "Constraints..." #~ msgstr "Mugak..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Ezin da konfiguratu hautatutakoaren indar-eremua molekula honentzako. UFF-" #~ "ra aldatzen" #~ msgid "Geometric Optimization" #~ msgstr "Optimizazio Geometrikoa" #~ msgid "Systematic Rotor Search" #~ msgstr "Errotore Sistematikoaren Bilaketa" #~ msgid "Random Rotor Search" #~ msgstr "Auzazko Errotore Bilaketa" #~ msgid "Weighted Rotor Search" #~ msgstr "Errotore Pisudunaren Bilketa" #~ msgid "Genetic Algorithm Search" #~ msgstr "Algoritmo Genetiko bidez Bilatu" #~ msgid "ForceField" #~ msgstr "Indar-Eremua" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Molekulak optimizatu eta egokitzaileak sortu mekanika molekularraren " #~ "indar-eremuak erabiliz" #~ msgid "&Vector Graphics..." #~ msgstr "&Bektore Grafikoak..." #~ msgid "Common vector image formats" #~ msgstr "Ohiko bektore irudi formatuak" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Bektore grafikoen exportaketa" #~ msgid "Change H to Methyl" #~ msgstr "Aldatu H Metil-era" #~ msgid "H to Methyl" #~ msgstr "H Metil-era" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrogenoak metil-taldeak bihurtu" #~ msgid "Add or remove hydrogens" #~ msgstr "Gehitu edo ezabatu hidrogenoak" #~ msgid "Insert DNA/RNA chains" #~ msgstr "ADN/ARN kateak sartu" #~ msgid "Peptide..." #~ msgstr "Peptido..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Sekuentzia oligopeptidoak txertatu" #~ msgid "Invert Chirality" #~ msgstr "Kiralitea Inbertitu" #~ msgid "InvertChiral" #~ msgstr "KiraliteteaInbertitu" #~ msgid "Invert chiral centers" #~ msgstr "Zentru kiralak inbertitu" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "ezezaguna" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momentu Bipolarra Estimatua (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Erakutsi adierazitako propietate molekularrak." #~ msgid "Fetch by chemical name..." #~ msgstr "Erakutsi izen kimikoz..." #~ msgid "Fetch from URL..." #~ msgstr "Erakutsi URL-tik" #~ msgid "PDB Entry" #~ msgstr "PDB Sarbidea" #~ msgid "PDB entry to download." #~ msgstr "Deskargatzeko PDB sarbidea" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "Deskargatzeko molekularen URL-a" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Zehaztu den molekula ezin izan da kargatu: %1" #~ msgid "Network Fetch" #~ msgstr "Erakutsi Sarea" #~ msgid "Fetch molecule files over the network." #~ msgstr "Erakutsi artxibo molekularrak sare osotik." #~ msgid " No vibration data found!" #~ msgstr " Ez da bibrazio datarik aurkitu!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Ez da bibrazio datarik aurkitu edo molekulak aldatu egin du Orca " #~ "Pluginetik kanpo!" #~ msgid "Read Orca Outputfile" #~ msgstr "Orca-ren Output fitxategia irakurri" #~ msgid "no file found" #~ msgstr "ez da fitxategia aurkitu" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Zerbait txarto dago fitxategiaren egituran" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Zerbait txarto dago fitxategiaren egituran - gelaxka unitatea" #~ msgid "Something is wrong in the IR output! " #~ msgstr "IR-aren outputean akatsen bat dago! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "raman outputean akatsen bat dago! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Orbitalen energiaren outputarekin zerbait txarto dago! " #~ msgid "No geometry found in file!" #~ msgstr "Ez da geometriarik aurkitu fitxategian!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Fitxategiko molekulak ez dator bat egungo egiturarekin!\n" #~ " Egungo molekula gainidatzi nahi duzu?" #~ msgid "Could not read file!" #~ msgstr "Ezinezkoa izan da fitxategia irakurtzea!" #~ msgid "Analyse Orca Output..." #~ msgstr "Orca-ren inputa analizatu..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Adibidea" #~ msgid "Show Preview" #~ msgstr "Erakutsi Aurreikuspena" #~ msgid "Hide Preview" #~ msgstr "Ezkutatu Aurreikuspena" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "" #~ "RijCosX aukera ez dago eskuragarri aukeraturiko DFT funtzionalarentzat!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX ez dago eskuragarri aukeraturiko DFT funtzionalarentzat! \n" #~ "RijCosX aukera berezarketa!" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::Ez da datu bibrazionalik aurkitu!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gorde POV-Ray argazki errenderizatua" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Argazki-artxiboak (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Ez da hornitu artxibo izen onargarririk." #~ msgid "Does not compute." #~ msgstr "Ezin da konputatu." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Zure eskaera izan da ez egitea errenderizazio zuzenik POV-Ray erabiltzen " #~ "eta POV-Ray artxiboa ez mantentzea. Honek inposatzen du ez duela ezer " #~ "gordeko. Ziur zaude hau nahi duzula?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Ezin da %1 artxiboa sortu. Baimenik al duzu helbide horretan gordetzeko?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray huts egin du hasieran." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Rau huts egin du hasieran. Agian exekutagarrirako helbidea ez da " #~ "zuzenki idatzi." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Sortu POV-Ray artxiboak eta POV-Ray programa komando-lerroa erabiliz " #~ "haiek errenderizatu." #~ msgid "Conformer Properties..." #~ msgstr "Egokitzailearen Propietateak..." #~ msgid "Python Terminal" #~ msgstr "Python Terminala" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Python idazteko terminal interaktiboa" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, Abinitek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Atala" #~ msgid "Abinit Running." #~ msgstr "Abinit abian." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit abian dago dagoeneko. Mesedez itxaron aurreko kalkulua bukatu arte." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Ez dago Instalatuta." #~ msgid "The abinit executable cannot be found." #~ msgstr "Ezin da Abinit-en exekutagarria aurkitu." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudoak (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit ez da abiatu. Agian ez dago behar bezala instalatuta." #~ msgid "Running Abinit calculation..." #~ msgstr "Abinit kalkulua Abiatzen..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit-ek ez du behar bezala abiatu. Agian ez dago behar bezala " #~ "instalatuta." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Sarrera Artxiboa Sortzeko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Dalton Sarrera " #~ "artxiboaren aurreikuspen panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "QM Matches" #~ msgstr "QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Hautapena..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Hautapena..." #~ msgid "You must make a selection!" #~ msgstr "Zerbai hautatu behar da!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Bihurketa Eskuraezina" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Formatu Bihurriketa Eskuraezina!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Sarrera artxiboak sortzen ditu GAMESS kimika kuantikoko paketeentzat" #~ msgid "Advanced Settings Changed" #~ msgstr "Ezarpen Aurreratuak Aldatu dira" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Ezarpen aurreratuak aldatu dira.\n" #~ "Deuseztatu?" #~ msgid "Advanced Settings Reset" #~ msgstr "Ezarpen Aurreratuak Berrezarri" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ziur al zaude ezarpen aurreratuak berrezarri nahi dituzula?\n" #~ "Aldaketa guztiak galduko dira!" #~ msgid "Basic Settings Reset" #~ msgstr "Ezarpen Basikoak Berrezarri" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ziur al zaude ezarpen basikoak berrezarri nahi dituzula?\n" #~ "Aldaketa guztiak galduko dira!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Atalal Generadorearen Ohartarazpena" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, GAMESS-UK-ek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Atala" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Sartzeko Kubiertaren Sortzaileko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Gaussian sartzeko " #~ "kubierta berrikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Sartzeko Kubierta" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Ibiltzen." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian jadanik dabil. Itxaron beste kalkuluak amaitzen diren arte." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian ez dago Instalatuta" #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 exekutablea, ezin da aurkitu." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 ez da hasi. Agian ez da ongi instalatu" #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian kalkulua ibiltzen..." #~ msgid "G03 Crashed." #~ msgstr "G03 Huts Egin du." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian ez da ondo ibili. Agian ez da ongi instalatu." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Atalal Generadorearen Ohartarazpena" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Sartzeko Kubierta Sortzailearen Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Molpro sartzeko kubierta " #~ "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Sartzeko Kubierta" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Sarrerako Abisua" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Sartzeko Kubierta" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Ibiltzen." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC jadanik dabil. Itxaron aurreko kalkuluak amaitu arte." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC ez dago Instalatuta." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC exekutablea, ezin da aurkitu." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC huts egin du hasieran." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC ez da hasi. Agian ez da ongi instalatu." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC kalkulua ibiltzen..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC huts egin du." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC ez da zuzenean ibili. Agian ez da ongi instalatu." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "MWChem Sartzeko Kubierta Sortzeko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, MWChem sartzeko kubierta " #~ "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "NWChem Input Deck" #~ msgstr "MWChem Sartzeko Kubierta" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Atalal Generadorearen Ohartarazpena" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, Psi4-ek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Atala" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Sartzeko Kubierta Sortzeko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Q-Chem sartzeko kubierta " #~ "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Sartzeko Kubierta" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Atal Generadorearen Ohartarazpena" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, TeraChem-ek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Atala" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS Hautatu..." #~ msgid "Add Named Selection..." #~ msgstr "Gehitu Hautaketa Izenduna..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Hautaketa" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS eredua hautatzeko" #~ msgid "There is no current selection." #~ msgstr "Ez dago ezer hautatuta." #~ msgid "Add Named Selection" #~ msgstr "Gehitu Izendatutako Hautapena" #~ msgid "Name cannot be empty." #~ msgstr "Izena ezin da hutsik egon." #~ msgid "There is already a selection with this name." #~ msgstr "Beste hautaketa dago jadanik izen horrekin." #~ msgid "Selections" #~ msgstr "Hautaketak" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Hautatu atomoak, loturak, hondakinak..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Iluntzaileak..." #~ msgid "Open a vertex shader source file" #~ msgstr "Ireki erpin iluntzaileko iturri-artxiboa" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Erpin iluntzaile-artxiboak (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Ireki fragmentu iluntzaileko iturri-artxiboa" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragmentu iluntzaile-artxiboak (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Ireki iluntzailearen parametro-artxiboa" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Iluntzailearen parametro-artxiboa (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Iluntzaileak" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Kargatu eta erabili OpenGL 2.0 GLSL iluntzaileak" #~ msgid "Intensity (arb. units)" #~ msgstr "Intentsitatea (arb. unitateak)" #~ msgid "Density of States (states/cell)" #~ msgstr "Estatuen Dentsitatea (estatu/gelaxka)" #~ msgid "Density of States (states/atom)" #~ msgstr "Estatuen Dentsitatea (estatu/atomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Estatuen Dentsitatea (estatu/balentzia-elektroi)" #~ msgid "Transmittance (%)" #~ msgstr "Transmisio-Faktorea (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbantzia (%)" #~ msgid "No intensities" #~ msgstr "Intentsitaterik ez" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Kargatu diren bibrazio-datuak molekula honetan ez dute intentsitate " #~ "daturik. Intentsitateei hautazko baloreak ezarri zaizkie ongi " #~ "irudikatzeko." #~ msgid "Activity" #~ msgstr "Jarduera" #~ msgid "X Axis" #~ msgstr "X Ardatza" #~ msgid "Y Axis" #~ msgstr "Y Ardatza" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Espektru Infragorriaren Ezarpenak" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Espektruaren Ezarpenak" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Estatuen Dentsitatea" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "Ultarmorea" #~ msgid "&UV Settings" #~ msgstr "&Ultramoreko Ezarpenak" #~ msgid "&CD Settings" #~ msgstr "&Dikronismo Zirkularraren Ezarpenak" #~ msgid "&Raman Settings" #~ msgstr "&Raman Ezarpenak" #~ msgid "No data" #~ msgstr "Daturik ez" #~ msgid "Dark" #~ msgstr "Iluna" #~ msgid "Publication" #~ msgstr "Publikazioa" #~ msgid "Handdrawn" #~ msgstr "Eskuz Marraztuta" #~ msgid "New Scheme" #~ msgstr "Eskema berria" #~ msgid "Confirm Scheme Removal" #~ msgstr "Baieztatu Eskema Ezabatzea" #~ msgid "Really remove current scheme?" #~ msgstr "Benetan ezabatu nahi duzu eskema hau?" #~ msgid "Change Scheme Name" #~ msgstr "Aldatu Eskemaren Izena" #~ msgid "Enter new name for current scheme:" #~ msgstr "Eskema berriaren izena idatzi:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tabuladorez Bereizitako Baloreak (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tabuladorez Bereizitako Baloreak" #~ msgid "Comma Separated Values" #~ msgstr "Komaz Bereizitako Baloreak" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Espektru Inportazioa" #~ msgid "Unknown extension: %1" #~ msgstr "Estensio Ezezaguna: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR (Infragorrien) datuak (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR (Infragorrien) datuak (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole (UV) Ultramoreen datuak (control)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD (Dikromismo Zirkularraren) datuak (control)" #~ msgid "Data Format" #~ msgstr "Datuaren Formatua" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formatua:" #~ msgid "Load Spectral Data" #~ msgstr "Gorde Espektruaren Datuak" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "" #~ "Turbomole Dikromismo Zirkulareko artxiboa txarto formateatuta dago: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Sareko Grafiko Eramangarriak" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Etiketaturiko Argazkien Artxiboen Formatua" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bit-mapa" #~ msgid "Portable Pixmap" #~ msgstr "Pixel-mapa Eramangarria" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bit-mapa" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixel-mapa" #~ msgid "Save Spectra Image" #~ msgstr "Gorde Espektruaren Irudia" #~ msgid "Image successfully written to %1" #~ msgstr "Argazkia ongi idatzi izan da %1 artxibora" #~ msgid "&Advanced <<" #~ msgstr "&Aurreratua <<" #~ msgid "&Advanced >>" #~ msgstr "&Aurreratua >>" #~ msgid "&Spectra..." #~ msgstr "&Espektrua..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Ikusi datu espektralak mekanika kimikoko kalkulutetatik" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Bibrazio-Analisi" #~ msgid "No vibrational displacements exist." #~ msgstr "Ez dira bibrazio-desplazamendurik existitzen." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Ikusi bibrazio-moduak kimika kuantikoko kalkuluetatik" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Salikatzen %1 bibrazioak frekuentziaz..." #~ msgid "Super Cell Builder..." #~ msgstr "Super Gelatxo-Eraikitzailea..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dokumentu hau molekula isolatu bakarra da. Gelatxo unitario bat sortu " #~ "behar duzu." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Eraiki eta erakutsi super gelatxo kristalografikoak" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbital Molekularrak..." #~ msgid "Orbitals" #~ msgstr "Orbitalak" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ezer ez" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektroien Dentsitatea" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Akatsa - mota zehaztugabea" #~ msgid "Calculating VdW Cube" #~ msgstr "VdW Kuboa Kalkulatzek" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Kalkulatzen %1 Orbital Molekularra" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Potentzial elektrostatikozko gainazalak ez daude oraindik soportauta." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Kalkulatu orbital molekularrak eta beste azalerak" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanohodi Eraikitzailea..." #~ msgid "Nanotube Builder" #~ msgstr "Nanohodi Eraikitzailea." #~ msgid "Invalid Nanotube Specification" #~ msgstr "Nanohodi zehazpen baliogabea" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Eskatutako nanohodia ezin izan da eraiki ondorengo arrazoiarengatik:\n" #~ "\n" #~ "n edo m-ren balioa 1 baino handiagoa izan behar da." #~ msgid "Insert Nanotube" #~ msgstr "Nanohodia Sartu" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Eraikitzailea" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Orma bakarreko karbono nanohodiak eraiki." #~ msgid "Building..." #~ msgstr "Eraikitzen..." #~ msgid "Display point group symmetry." #~ msgstr "Talde puntualaren simetria erakutsi." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL tresna ez zen ongi hasieratua bideo bat egiteko" #~ msgid "GL widget has no molecule" #~ msgstr "GL tresna ez du molekularik" #~ msgid "Building video " #~ msgstr "Bideoa Eraikitzen " #~ msgid "Could not run mencoder." #~ msgstr "Ezin izan da mencoder ibili." #~ msgid "Set Aspect Ratio" #~ msgstr "Izendatu Itxura-Proportzioa" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Avogadro eszena hau %1x%2 pixeleko luzera du, eta ondorioz %3-(e)ko " #~ "itxura proportzioa du.\n" #~ "Balore hauek mantentzea komenigarria da, adibidez POV-Ray erabili nahi " #~ "baduzu\n" #~ "%4x1000 pixeleko argazki bat eraikitzeko, edo beste balore positiborik " #~ "sar daiteke,\n" #~ "adibidez 1 POV-Ray erabiltzeko intentzioa baduzu irudi karratu bat " #~ "eraikitzeko (1000x1000 pixel)." #~ msgid "Save VRML rendered files" #~ msgstr "Gorde VRML errenderizaturiko fitxategiak" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Konektatu" #~ msgid "Disconnect" #~ msgstr "Deskonektatu" #~ msgid "&WiiTrack" #~ msgstr "&Wii-Bidea" #~ msgid "Wii Tracking" #~ msgstr "Wii Bideratzen" #~ msgid "Track motion using Wii remotes" #~ msgstr "Bideratu Wiimote-a erabiltzen" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "OpenGL testuinguru baliogabea.\n" #~ "Zure OpenGL-ko konfigurazioan dagoen edozer guztiz apurtuta dago (edozein " #~ "OpenGL-aplikaziorik ibili dezakezu?), edo programazio-akats (bug) bat " #~ "aurkitu duzu." #~ msgid "Debug Information" #~ msgstr "Arazketaren informazioa" #~ msgid "FPS: %L1" #~ msgstr "Fotogramak segundoko: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Ikusi Neurria: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 1. ilara: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 2. ilara: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 3. ilara: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 4. ilara: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomoak: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: %1 aurkibidea eskuerarik gabe geratu da." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "'%1' Artxibo mota ezin da irakurri" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "'%1' Artxiboarentzako artxibo mota ezin da irakurri" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "%1-(e)ko aurkibideko molekula '%2' artxibotik irakurtzean huts egin du." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: %1 aurkibidea eskuerarik gabe geratu da." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "'%1' Artxibo mota ezin da idatzi" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "'%1' Artxiboarentzako artxibo mota ezin da idatzi" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Ezin da '%1' artxiboa ireki irakurtzeko." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "%1 aurkibidea duen molekula '%2' artxiboan ordezkatzean huts egin du." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "%1 artxiboa ezin da ireki irakurtzeko." #~ msgid "File %1 can not be opened for writing." #~ msgstr "%1 artxiboa ezin da ireki idazteko." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Huts egin du artxibo molekularra gordetzean - ezin zaio izenik ipini " #~ "jatorrizko artxiboari." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Huts egin du artxibo molekularra gordetzean - ezin zaio izenik ipini " #~ "artxibo berriari." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Huts egin du artxibo molekularra gordetzean - ezin da ezabatu artxibo " #~ "zaharra." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Molekula bat '%1' artxibora idaztean huts egin du. OpenBabel funtzioa " #~ "huts egin du." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Ezin da %1 artxiboa ireki idazteko." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "'%1' artxiboan egokitzaileak idaztean huts egin du." #~ msgid "Molecule %1" #~ msgstr "%1 Molekula" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Python Engine Ezezaguna" #~ msgid "N/A" #~ msgstr "A/E" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: konprobatzen " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script-a ez du 'Engine' klasea definituta" #~ msgid " - no module" #~ msgstr " - modulorik ez" #~ msgid "Unknown Python Extension" #~ msgstr "\"Python Extension\" Ezezaguna" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: konprobatzen " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script-a ez du 'Extension' klasea definituta" #~ msgid "Unknown Python Tool" #~ msgstr "\"Python Tool\" Ezezaguna" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: konprobatzen " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script-a ez du 'Tool' klasea definituta" #~ msgid "Conformer %1" #~ msgstr "%1 Egokitzailea" #~ msgid "Tools" #~ msgstr "Tresnak" #~ msgid "Align:" #~ msgstr "Lerrokatu:" #~ msgid "Everything" #~ msgstr "Guztia" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt.: ezin izan da indar-eremua konfiguratu..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Mugen Kopurua: %1" #~ msgid "Steps per Update:" #~ msgstr "Urratsak eguneraketako:" #~ msgid "Algorithm:" #~ msgstr "Algoritmoa:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamika Molekularra (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamika Molekularra (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Finkatutako atomoak mugikorrak dira" #~ msgid "Ignored atoms are movable" #~ msgstr "Ezikusitako atomoak mugikorrak dira" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt molekula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Geometria molekularra automatikoki optimizatzen du" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimizazioaren Ezarpenak" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto-Biraketa Tresna" #~ msgid "x rotation:" #~ msgstr "x biraketa:" #~ msgid "x rotation" #~ msgstr "x biraketa" #~ msgid "y rotation:" #~ msgstr "y biraketa:" #~ msgid "y rotation" #~ msgstr "y biraketa" #~ msgid "z rotation:" #~ msgstr "z biraketa:" #~ msgid "z rotation" #~ msgstr "z biraketa" #~ msgid "Automatic rotation of molecules" #~ msgstr "Molekulak automatikoki biratzen ditu" #~ msgid "AutoRotate Settings" #~ msgstr "AutoBiratu Ezarpenak" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Loturaren Luzera: %L1" #~ msgid " Show Angles" #~ msgstr " Erakutsi angeluak" #~ msgid "Snap-to Threshold: " #~ msgstr "Atxikitu Atalaseari: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Loturetan Oinarrituta Manipulatu" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Loturen luzera, angelua eta tortsioen manipulaketa" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Loturetan Oinarrituta Manipulatzeko Ezarpenak" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distantzia (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distantzia (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angelu Diedroa: %1º" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distantzia(k):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Loturaren luzera, angeluak eta diedroak neurtu" #~ msgid "Draw Bond" #~ msgstr "Marraztu Lotura" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Marraztu eta editatu atomoak eta loturak" #~ msgid "Draw Settings" #~ msgstr "Marrazketa Ezarpenak" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Mugitu, biratu eta doitu atomoak eta zatiak" #~ msgid "Manipulate Settings" #~ msgstr "Manipulaketa Ezarpenak" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Mugitu, biratu eta egin zoom ikusten den inguruan" #~ msgid "Navigate Settings" #~ msgstr "Nabigazio Ezarpenak" #~ msgid "Selection Mode:" #~ msgstr "Hautapen Modua:" #~ msgid "Atom/Bond" #~ msgstr "Atomo/Lotura" #~ msgid "Residue" #~ msgstr "Hondakina" #~ msgid "Add Center of Atoms" #~ msgstr "Atomoen Zentrua Gehitu" #~ msgid "Change color of the atom" #~ msgstr "Atomoaren kolorea aldatu" #~ msgid "Change label of the atom" #~ msgstr "Atomoaren marka aldatu" #~ msgid "Change label of the bond" #~ msgstr "Loturaren marka aldatu" #~ msgid "Change radius of the atom" #~ msgstr "Atomoaren erradioa aldatu" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Erradio Berria (Å), %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Hautatu atomoak, hondakinak eta molekulak" #~ msgid "Symbol" #~ msgstr "Sinboloa" #~ msgid "Bond Length" #~ msgstr "Loturaren Luzera" #~ msgid "Dihedral Angle" #~ msgstr "Angelu Diedroa" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrizea Editatu..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrizea" #~ msgid "Create/edit a z-matrix" #~ msgstr "Sortu/Editatu z-matrize bat" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrizearen Ezarpenak" #~ msgid "Color residues by:" #~ msgstr "Hondakinen kolorea antolatu:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobizitatea" #~ msgid "Axes:" #~ msgstr "Ardatzak:" #~ msgid "Cartesian Axes" #~ msgstr "Ardatz Kartesiarrak" #~ msgid "Orthogonal Axes" #~ msgstr "Ardatz Ortogonalak" #~ msgid "Axis 1:" #~ msgstr "1. Ardatza:" #~ msgid "Axis 2:" #~ msgstr "2. Ardatza:" #~ msgid "Axis 3:" #~ msgstr "3. Ardatza:" #~ msgid "Origin:" #~ msgstr "Jatorria:" #~ msgid "Norm" #~ msgstr "Araua" #~ msgid "Preserve vector norms" #~ msgstr "Bektorearen arauak mantendu" #~ msgid "Atom Radius:" #~ msgstr "Atomoaren Erradioa:" #~ msgid "Bond Radius:" #~ msgstr "Loturaren Erradioa:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Errepikatu" #~ msgid "Dipole:" #~ msgstr "Bipoloa:" #~ msgid "Custom Vector" #~ msgstr "Neurrira Egindako Bektorea" #~ msgid "Custom:" #~ msgstr "Neurrira Egindakoa:" #~ msgid "Cut-off radius:" #~ msgstr "Mozketa-Erradioa:" #~ msgid "Cut-off angle:" #~ msgstr "Mozketa-Angelua:" #~ msgid "Rendering Engine:" #~ msgstr "Errenderizazio Motorra:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Testua:" #~ msgid "Symbol & Number in Group" #~ msgstr "Sinboloa eta Zenbakia Taldekatu" #~ msgid "Symbol & Atom number" #~ msgstr "Sinboloa eta Atomoaren zenbakia" #~ msgid "Partial charge" #~ msgstr "Karga Partziala" #~ msgid "Residue number" #~ msgstr "Hondakinaren zenbakia" #~ msgid "Custom data" #~ msgstr "Neurrira egindako datuak" #~ msgid "Change Font" #~ msgstr "Aldatu Letra-Tipoa" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Marka Aldatu:" #~ msgid "Bond length" #~ msgstr "Loturaren luzera" #~ msgid "Bond number" #~ msgstr "Loturaren zenbakia" #~ msgid "Bond order" #~ msgstr "Loturaren ordena" #~ msgid "Lines" #~ msgstr "Lerroak" #~ msgid "Radius:" #~ msgstr "Erradioa:" #~ msgid "Include Nitrogens" #~ msgstr "Txertatu Nitrogenoak" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opakotasuna:" #~ msgid "Orbital:" #~ msgstr "Orbitala:" #~ msgid "Render:" #~ msgstr "Errenderizatu:" #~ msgid "Fill" #~ msgstr "Bete" #~ msgid "Points" #~ msgstr "Puntuak" #~ msgid "Draw Box:" #~ msgstr "Marrazketa-Koadroa:" #~ msgid "Mapped Colors" #~ msgstr "Marraztutako Koloreak" #~ msgid "Positive" #~ msgstr "Positiboa" #~ msgid "Negative" #~ msgstr "Negatiboa" #~ msgid "Show Atoms" #~ msgstr "Erakutsi Atomoak" #~ msgid "Animate Trajectory" #~ msgstr "Ibilbidea Animatu" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Errepikatu" #~ msgid "Save as .avi..." #~ msgstr "Gorde .avi bezala" #~ msgid "Angstroms" #~ msgstr "Angstrom (Å)" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, koordenatuak bakarrik" #~ msgid "GAMESS Input #2" #~ msgstr "2. GAMESS Sarrera" #~ msgid "Priroda Input" #~ msgstr "Priroda Sarrera" #~ msgid "Apply Changes" #~ msgstr "Aldaketak Aplikatu" #~ msgid "Cut All" #~ msgstr "Moztu Guztia" #~ msgid "Paste to the End" #~ msgstr "Itsatsi Amaieran" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Itsatsi edo editatu " #~ "koordenatu atomikoak hemen. Komenigarria da ia edozein testu zati " #~ "itsastea, koordenatuak barne

" #~ msgid "(None)" #~ msgstr "(Ezer ez)" #~ msgid "Sort by " #~ msgstr "-(e)z Ordenatu " #~ msgid "Number of atoms:" #~ msgstr "Atomo kopurua:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Lotura biragarrien kopurua:" #~ msgid "Ignore Atom" #~ msgstr "Ez Hartu Atomo Hau Kontuan" #~ msgid "Fix Atom" #~ msgstr "Konpondu Atomoa" #~ msgid "Fix Atom X" #~ msgstr "Konpondo X Atomoa" #~ msgid "Fix Atom Y" #~ msgstr "Konpondu Y Atomoa" #~ msgid "Fix Atom Z" #~ msgstr "Konpondu Z Atomoa" #~ msgid "Torsion angle" #~ msgstr "Tortsio angelua" #~ msgid "Save" #~ msgstr "Gorde" #~ msgid "Load" #~ msgstr "Kargatu" #~ msgid "Atomic &identites:" #~ msgstr "&Identitate Atomikoak:" #~ msgid "Plane:" #~ msgstr "Planoa:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller indizeak:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Kontuz: Miller indizeak ezin dira huts izan" #~ msgid "Width (x)" #~ msgstr "Zabalera (x)" #~ msgid "Width (y)" #~ msgstr "Zabalera (y)" #~ msgid "Height (z)" #~ msgstr "Altuera (z)" #~ msgid "length" #~ msgstr "luzeera" #~ msgid "cell repeats" #~ msgstr "gelaxka errepikapenak" #~ msgid "&Translate " #~ msgstr "&Translatu " #~ msgid "by arbitrary vector" #~ msgstr "bektore arbitrarioz" #~ msgid "selected atom to unit cell center" #~ msgstr "atomotik gelaxka unitaterainoko zentrua aukeratua" #~ msgid "Translation vector:" #~ msgstr "Translazio bektorea:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Bektore unitateak:" #~ msgid "Cartesian" #~ msgstr "Kartesiarra" #~ msgid "&Translate" #~ msgstr "&Translatu" #~ msgid "Crystal View Options" #~ msgstr "Kristala Ikusteko Aukerak" #~ msgid "Unit Cell Repeats:" #~ msgstr "Gelaxka Unitatearen Errepikapenak:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Gelaxka Unitatea(k) Marraztu?" #~ msgid "One" #~ msgstr "Bat" #~ msgid "All" #~ msgstr "Guztia" #~ msgid "Color..." #~ msgstr "Kolorea..." #~ msgid "Default View" #~ msgstr "Ikuspegi lehenetsia" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indizeak" #~ msgid "File Import..." #~ msgstr "Inportatu Artxiboa..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Saiatu loturak hautematen?" #~ msgid "Setup Force Field" #~ msgstr "Indar-Eremua Konfiguratu" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Urrats Kopurua" #~ msgid "Algorithm" #~ msgstr "Algoritmoa" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa Helizea" #~ msgid "Beta Sheet" #~ msgstr "Beta Orria" #~ msgid "Pi Helix" #~ msgstr "Pi Helizea" #~ msgid "Phi:" #~ msgstr "Fi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Hondakin Kopurua:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol)" #~ msgid "Dipole Moment (D):" #~ msgstr "Momentu Bipolarra (D):" #~ msgid "select Fragment" #~ msgstr "Fragmentua aukeratu" #~ msgid "Basic" #~ msgstr "Oinarrizkoa" #~ msgid "Comment" #~ msgstr "Iruzkina" #~ msgid "Frequency" #~ msgstr "Maiztasuna" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Formatua" #~ msgid "z-Matrix" #~ msgstr "z-Matrizea" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrize konpaktua" #~ msgid "Advanced" #~ msgstr "Aurreratua" #~ msgid "Basis Set" #~ msgstr "Oinarri multzo" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Oinarri multzo Aux." #~ msgid "Aux. ECP" #~ msgstr "ECP Aux." #~ msgid "Relativistic" #~ msgstr "Errelatibista" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Ordena" #~ msgid "Run type" #~ msgstr "Abiaketa mota" #~ msgid "MOs" #~ msgstr "OMak" #~ msgid "Basis Sets" #~ msgstr "Oinarri multzo" #~ msgid "Printlevel" #~ msgstr "Inprimaketamaila" #~ msgid "Small" #~ msgstr "Txikia" #~ msgid "Large" #~ msgstr "Handia" #~ msgid "Factor" #~ msgstr "Faktorea" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

aukeratu aurreezarpenak nahi ez izanez gero

" #~ msgid "Accuracy" #~ msgstr "Zehaztasuna" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "2nd Order" #~ msgstr "2. Ordena" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "SCF iterazio kopuru maximoa" #~ msgid "SCF Type" #~ msgstr "SCF Mota" #~ msgid "restricted" #~ msgstr "mugatua" #~ msgid "unrestricted" #~ msgstr "mugagabea" #~ msgid "restricted open-shell" #~ msgstr "geruza-ireki mugagabea" #~ msgid "Grid" #~ msgstr "Sarea" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Esportazioa" #~ msgid "Select..." #~ msgstr "Hautatu..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Erabili eszena osoko antialiasing-a" #~ msgid "Antialias" #~ msgstr "Antialiasing-a" #~ msgid "Set the background color to be transparent" #~ msgstr "Atzeko planoaren kolorea gardena ezarri." #~ msgid "Alpha transparency" #~ msgstr "Alfa gardentasuna" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Molekula zuzenki errenderizatu POV-Ray lerro-komandua erabiltzen" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Mantendu POV-Ray iturria errenderizazioa amaitu ondoren" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Mantendu POV-Ray iturria errenderizatu ondoren" #~ msgid "Path:" #~ msgstr "Bidea:" #~ msgid "Abinit Input" #~ msgstr "Abinit-en input-a" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartesiar (Angstrom)" #~ msgid "Reduced" #~ msgstr "Murriztua" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Uhin Lauen mozketa erizpidea (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-puntuen desplazamendua:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Banda kopurua:" #~ msgid "# k-point shifts:" #~ msgstr "#k-puntuen desplazamenduak:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Okupazio eskema:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerantzia mota:" #~ msgid "Wave Function norm" #~ msgstr "Uhin Funtzio norma" #~ msgid "Total Potential" #~ msgstr "Potentzial Totala" #~ msgid "Relative Force" #~ msgstr "Indar Erlatiboa" #~ msgid "1 - semiconducting" #~ msgstr "1 - Erdieroalea" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometriazko denbora pausoak:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Energia Zinetikoaren leunketa (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Konputatzen..." #~ msgid "Dalton Input" #~ msgstr "Dalton Sarrera" #~ msgid "Basics" #~ msgstr "Oinarrizkoak" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Gehitzen du idatzitakoa input artxiboaren izenburu lerroa zeure\n" #~ "asmo berriemailetzat." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Oinarriak ezarri:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-estiloa" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen-en polarizazio kontsekuentea" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning-en korrelazio kontsekuentea" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Nukleoaren funtzio korrelatzaileak" #~ msgid "Diffuse functions" #~ msgstr "Hedatzeko funtzioak" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Zuzen" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Ibili paraleloan ahal den bakoitzean. Honako hau bakarrik\n" #~ "posiblea da SCF uhin-funtzio eta DFT kalkuluetarako. Dalton\n" #~ "bakarrik eusten du MPI bertsio honetan eta konpilatuta eta \n" #~ "instalatuta egon behar da. Nodo kopurua ezartzen da erabiltzen \"-N #\" " #~ "aukera \"dalton\" script-a exekutatzean." #~ msgid "Parallel" #~ msgstr "Paraleloa" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Sarearen espezifikazioa:" #~ msgid "Partitioning Scheme:" #~ msgstr "Eskema partizionala:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (originala)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Sarearen Kalitatea" #~ msgid "coarse" #~ msgstr "latza" #~ msgid "normal" #~ msgstr "arrunta" #~ msgid "fine" #~ msgstr "finoa" #~ msgid "ultrafine" #~ msgstr "ultrafinoa" #~ msgid "Radial Scheme:" #~ msgstr "Eskema Erradiala:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Erakutsi funtzional guztiak" #~ msgid "Property:" #~ msgstr "Propietatea:" #~ msgid "Polarizability" #~ msgstr "Polarizagarritasuna" #~ msgid "Frequency Dependent" #~ msgstr "Frekuentzia Dependientea" #~ msgid "No. excitations:" #~ msgstr "Eszitazio Kopurua:" #~ msgid "Group Label:" #~ msgstr "Taldearen Marka:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Konfigurazio Aurreratua" #~ msgid "Hessian" #~ msgstr "Hessiar" #~ msgid "Stat Point" #~ msgstr "Egoera Puntua" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "OM Asmatu" #~ msgid "Misc" #~ msgstr "Miszelanea" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Atomo Pisudunaren Funtzio Polarizatzaileak:" #~ msgid "Read" #~ msgstr "Irakurri" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Hedatu S-Shell Atomo Pisudunetan" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Hedatu L-Shell Atomo Pisudunetan" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Balentzia Zeta Bikoitza" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Balentzia Zeta Hirukoitza" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Balentzia" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Balentzia" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Mota:" #~ msgid "Default" #~ msgstr "Lehenetsia" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Atomo Pisudunaren Polarizazio Funtzioak:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atomoaren Polarizazio Funtzioak:" #~ msgid "Polar:" #~ msgstr "Polarra:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterazioak:" #~ msgid "Gradient" #~ msgstr "Gradientea" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Zela-Puntua" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Kanpo-Gradientea" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Higidura-Kantitatearen Trantsizio Erradioaktiboa." #~ msgid "Spin Orbit" #~ msgstr "Orbita Biragarria" #~ msgid "Finite Electric Field" #~ msgstr "Zelai Elektriko Finitoa" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimizazio Orokorra" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimizazioa" #~ msgid "Raman Intensities" #~ msgstr "Raman Intentsiatateak" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ezer ez (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Mota:" #~ msgid "Localization Method:" #~ msgstr "Aurkikuntza-Metodoa:" #~ msgid "Exec Type:" #~ msgstr "Exek. Mota:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinantea" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Okupazio Mugatua Espazio Aktibo Anitza" #~ msgid "CI Singles" #~ msgstr "CI Bakarrak" #~ msgid "Full Second Order CI" #~ msgstr "CI Bigarren Agindu Betea" #~ msgid "General CI" #~ msgstr "CI Orokorra" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC Lerrorizatua" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC Bikoitzekin" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC Bakar eta Bikoitzekin" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Ibili Normalki" #~ msgid "Check" #~ msgstr "Egiaztatu" #~ msgid "Debug" #~ msgstr "Arazketa" #~ msgid "Molecule Charge:" #~ msgstr "Karga Molekularra:" #~ msgid "Run Type:" #~ msgstr "Ibilera Mota:" #~ msgid "Use MP2" #~ msgstr "Erabili MP2" #~ msgid "Use DFT" #~ msgstr "Erabili DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Z-Matrize Bariableetik" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ardatz Printzipalen Ordena:" #~ msgid "Coordinate Type:" #~ msgstr "Koordenatu Mota:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Koordenatu kartesiar esklusiboa" #~ msgid "Hilderbrant internals" #~ msgstr "Barruko Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrizea" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Erabili Simetria Kalkulatzen den Bitartean" #~ msgid "Point Group:" #~ msgstr "Puntu Multzoa:" #~ msgid "Minutes" #~ msgstr "Minutuak" #~ msgid "Hours" #~ msgstr "Orduak" #~ msgid "Days" #~ msgstr "Egunak" #~ msgid "Weeks" #~ msgstr "Asteak" #~ msgid "Years" #~ msgstr "Urteak" #~ msgid "Millenia" #~ msgstr "Milla Urte" #~ msgid "MegaWords" #~ msgstr "MegaHitzak" #~ msgid "MegaBytes" #~ msgstr "MegaByte-ak" #~ msgid "GigaWords" #~ msgstr "GigaHitzak" #~ msgid "GigaBytes" #~ msgstr "GigaByte-ak" #~ msgid "Force Parallel Methods" #~ msgstr "Metodo Paraleloak Bortxatu" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "\"Nukleo\"-artxiboa eratu abortatzerakoan" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalizazio Metodoa:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Oreka Motaren Karga Paraleloa" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Errepikatu" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Hurrengo Balorea" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Erabili Kanpo-Datuak Mezuak Errepresentatzeko" #~ msgid "Initial Guess:" #~ msgstr "Hasierako Susmoa:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "OM Irakurrita ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "OM Gordeta (DICTNRY)" #~ msgid "Skip" #~ msgstr "Jauzi Egin" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Biratu Alfa eta Beta Orbitalak" #~ msgid "Print the Initial Guess" #~ msgstr "Inprimatu Hasierako Susmoa" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interfazea Beste Kodeentzat" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Bortxatu Egiaztatzeko Ibilera Mota Bat" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Erresuma Batuko Bertsioa)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Disolbatu Uretan" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generatu UHF Orbital Naturalak" #~ msgid "Direct SCF" #~ msgstr "SCF Zuzena" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Bakarrik Konputatu Aldaketak Fock Matrizean" #~ msgid "Slater exchange" #~ msgstr "Slater aldaketa" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 aldaketa" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) korrelazioa" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr korrelazioa" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater aldaketa + VWN korrelazioa" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE aldaketa + VWN5 korrelazioa" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE aldaketa + LYP korrelazioa" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 aldaketa" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) aldaketa" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Parametro Aurrerakoi Bakarra korrelazioa" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) korrelazioa" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP korrelazioa" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE aldaketa + OP korrelazioa" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL aldaketa + VWN5 korrelazioa" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL aldaketa + LYP korrelazioa" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE aldaketa + VWN6 korrelazioa" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE aldaketa +LYP korrelazioa" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE aldaketa + OP korrelazioa" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF eta BECKE aldaketak + LYP korrelazioa" #~ msgid "Grid-Free" #~ msgstr "Sarerik Gabe" #~ msgid "DFT Functional:" #~ msgstr "DFT Funtzionala" #~ msgid "AO Integral Storage" #~ msgstr "AO Biltegi-Osagaia" #~ msgid "Duplicated on Each Node" #~ msgstr "Nodo Bakoitzean Bikoiztuta" #~ msgid "Distributed Across All Nodes" #~ msgstr "Banatuta Nodo Guztien Artean" #~ msgid "words" #~ msgstr "hitzak" #~ msgid "Compute MP2 Properties" #~ msgstr "Konputatu MP2 Ezaugarriak" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Barne-Atxikitzea Moztuta:" #~ msgid "Use Localized Orbitals" #~ msgstr "Erabili Zehaztutako Orbitalak" #~ msgid "# of Core Electrons:" #~ msgstr "# Nukleo-Elektroietatik" #~ msgid "Transformation Method" #~ msgstr "Transformazio Metodoa" #~ msgid "Two Phase Bin Sort" #~ msgstr "Bi Fase Binario Mota" #~ msgid "Segmented Transformation" #~ msgstr "Transformazio Zatikatua" #~ msgid "Numeric" #~ msgstr "Zenbakizkoa" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiar Bikoitza Ezberdinduta" #~ msgid "Print Internal Force Constants" #~ msgstr "Inprimatu Barne-Indar Konstanteak" #~ msgid "Displacement Size:" #~ msgstr "Higidura Tamaina:" #~ msgid "Purify Hessian" #~ msgstr "Purifikatu Hesiarra" #~ msgid "Frequency Scale Factor:" #~ msgstr "Faktore Eskalaren Maiztasuna:" #~ msgid "bohrs" #~ msgstr "bohr-ak" #~ msgid "Initial Hessian" #~ msgstr "Hasierako Hessiarra" #~ msgid "Guess (+ define)" #~ msgstr "Asmatu (+ definitu)" #~ msgid "Read (from $HESS)" #~ msgstr "Irakurri ($HESS-(e)tik)" #~ msgid "Update Step Size" #~ msgstr "Eguneratu Pausuen Tamaina" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Inprimatu Orbeak Itinerazio Bakoitzean" #~ msgid "Stationary Point" #~ msgstr "Puntu Geldia" #~ msgid "Initial:" #~ msgstr "Hasierakoa:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Funtzio Arrazionalaren Optimizazioa" #~ msgid "Quadratic Approximation" #~ msgstr "Hurbilketa Kuadratikoa" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimizazio Mugatua" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Birkalkulatu Hessiar Guztiak:" #~ msgid "Follow Mode:" #~ msgstr "Jarraitzeko Modua:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK-ren Input-a" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK-ren input-a, Avogadrok sortua" #~ msgid "Transition State Search" #~ msgstr "Trantsizio Egoera Bilaketa" #~ msgid "Basis:" #~ msgstr "Oinarrizkoak:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-Matrizea" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Sarrera" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estandar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Jarraipen Puntua:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-Matrizea (konpaktua)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Sarrera" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Bersioa:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Sarrera" #~ msgid "Quartet" #~ msgstr "Laukote" #~ msgid "Quintet" #~ msgstr "Boskote" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem-entzako Input-a" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem-entzako Input-a" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem-entzako Input-a" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Mugagabea" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "ez" #~ msgid "yes" #~ msgstr "Bai" #~ msgid "Dispersion:" #~ msgstr "Dispertsioa:" #~ msgid "Load Shaders" #~ msgstr "Kargatu Iluntzaileak" #~ msgid "Shader Name:" #~ msgstr "Iluntzailearen Izena:" #~ msgid "Vertex Shader:" #~ msgstr "Erpin-Iluntzailea:" #~ msgid "Fragment Shader:" #~ msgstr "Zati-Iluntzailea:" #~ msgid "Assign Shader" #~ msgstr "Iluntzailea Izendatu" #~ msgid "Display Type:" #~ msgstr "Erakutsi Mota:" #~ msgid "Font:" #~ msgstr "Letra-Tipoa:" #~ msgid "Change Font..." #~ msgstr "Aldatu Letra-Tipoa..." #~ msgid "Foreground:" #~ msgstr "Aurreko planoa:" #~ msgid "New..." #~ msgstr "Berria..." #~ msgid "Rename..." #~ msgstr "Izena Aldatu..." #~ msgid "&Schemes:" #~ msgstr "&Eskemak:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Zabalera:" #~ msgid "&Height" #~ msgstr "&Altuera" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "hazb" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Eskemaz espezifikatutako balore bat erabili ordez erabili balore " #~ "optimizatu bat letra-tipoaren tamainarentzat (pantailatik-irudirako " #~ "puntuen tamaina ez dira ondo irakurtzen!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Letra-Tipo A&utomatikoa Ezarri" #~ msgid "Spectra Tab" #~ msgstr "Espektruaren Tabuladorea" #~ msgid "&Gaussian Width:" #~ msgstr "&Zabalera Gaussiarra" #~ msgid "&Label peaks" #~ msgstr "&Marka Gailurrak" #~ msgid "Rotatory Strength type:" #~ msgstr "Indar Birakari Mota:" #~ msgid "Energy units:" #~ msgstr "Energia-unitateak:" #~ msgid "Density units" #~ msgstr "Dentsitate-unitateak" #~ msgid "Fermi Energy: " #~ msgstr "Fermi-energia: " #~ msgid "States / Cell" #~ msgstr "Estautak / Gelatxoa" #~ msgid "States / Atom" #~ msgstr "Estatuak / Atomo" #~ msgid "States / Valence electron" #~ msgstr "Estatuak / Balentzia-elektroi" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi-energiari zero ezarri" #~ msgid "Scale integrated DOS" #~ msgstr "Eskalatu DOS integratua" #~ msgid "Show integrated DOS" #~ msgstr "Erakutsi DOS integratua" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Ardatzaren Unitateak:" #~ msgid "Scaling Type:" #~ msgstr "Eskalaketa Mota:" #~ msgid "Relative" #~ msgstr "Erlatiboa" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Uhin-Zenbakia:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "Nucleus:" #~ msgstr "Nukleoa:" #~ msgid "Gaussian &Width:" #~ msgstr "Zabalera &Gaussiarra" #~ msgid "Reset &Plot Axes" #~ msgstr "Hasieratu &Plot-Ardatzak" #~ msgid "Label Peaks:" #~ msgstr "Gailur-Markak:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Bibrazio Molekularrak" #~ msgid "Filter: " #~ msgstr "Iragazkia: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Jarduera (A^4/mau)" #~ msgid "&Show Spectra..." #~ msgstr "&Erakutsi Espektrua..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "maiztazun handiko bibrazioak ezarriko dute mugimendu azkarragoa" #~ msgid "Animation speed set by frequency" #~ msgstr "Animazioaren abiadura maiztasunez ezarri" #~ msgid "Display force &vectors" #~ msgstr "Erakutsi indar-&bektoreak" #~ msgid "&Normalize displacements" #~ msgstr "&Normaldu higidurak" #~ msgid "&Recalculate All" #~ msgstr "&Birkalkulatu Guztia" #~ msgid "Default &Quality:" #~ msgstr "Hasierako &Kalitatea" #~ msgid "Show occupied orbitals first" #~ msgstr "Erakutsi okupatutako orbitalak lehenik" #~ msgid "Limit orbital precalculations to " #~ msgstr "Orbital aurrekalkulaketa honetara mugatu " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "HOMO/LUMO inguruko orbitalak" #~ msgid "Surface Type:" #~ msgstr "Azalera Mota:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baxua" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Ertaina" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Altua" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Oso Altua" #~ msgid "Isosurface cutoff value" #~ msgstr "Isoazaleraren mozketa balioa" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Erakusketa Motan:" #~ msgid "New Display" #~ msgstr "Erakusketa Berria" #~ msgid "Advanced..." #~ msgstr "Aurreratua..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Luzeera" #~ msgid "Uni&t:" #~ msgstr "Uni&tatea" #~ msgid "periodic units" #~ msgstr "unitate periodikoak" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr eradioak" #~ msgid "nanometers" #~ msgstr "nanometroak" #~ msgid "Find &double bonds" #~ msgstr "Lotura &bikoitzak bilatu" #~ msgid "Molecular Symmetry" #~ msgstr "Simetria molekularra" #~ msgid "Scale (mm/Å):" #~ msgstr "Eskala (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Esferarik txikiena (mm): " #~ msgid "Calculate Size..." #~ msgstr "Tamaina kalkulatu..." #~ msgid "Display visual cues" #~ msgstr "Erakutsi ikuste-seinaleak" #~ msgid "Python Settings" #~ msgstr "Python Ezarpenak" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrize Editorea" OpenChemistry-avogadrolibs-ceb949f/i18n/fa.po000066400000000000000000007640441516317240700212160ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2020 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # FIRST AUTHOR , YEAR. # msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" "Language: fa\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" OpenChemistry-avogadrolibs-ceb949f/i18n/fi.po000066400000000000000000011335161516317240700212210ustar00rootroot00000000000000# Finnish translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Eisuke Kawashima , 2024, 2025. # Ricky Tigg , 2024, 2025, 2026. # Weblate Translation Memory , 2024, 2026. # LibreTranslate , 2024, 2025, 2026. # Joona Nousiainen , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-04-01 10:32+0000\n" "Last-Translator: Ricky Tigg \n" "Language-Team: Finnish \n" "Language: fi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Erätyö #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Ei määritettyä viestiä." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "'script --print-options':n tulosteen on oltava ylätason JSON-objekti. " "Vastaanotettu:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Ei-merkkijono varoitus palautettu." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' -jäsen ei ole matriisi." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Viitetiedostoa '%1' ei ole olemassa." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Virhe täytettäessä tiedostoa %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Tiedosto '%1' huonosti muotoiltu. Puuttuvat merkkijonon \"contents\" tai " "\"filePath\" jäsenet." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Väärin muotoiltu tiedosto: tiedoston nimi/sisältö puuttuu tai ei " "merkkijonoja:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Väärin muotoiltu tiedostomerkintä indeksissä %1: Ei objekti." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "\"files\" -jäsen ei ole matriisi." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "\"files\" -jäsen puuttuu." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "\"mainFile\" -jäsen ei viittaa tietueeseen \"tiedostot\":ssa." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' -jäsenen on oltava merkkijono." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Vastauksen on oltava ylätason JSON-objekti." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Komentosarjan tuloste:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Jäsennysvirhe poikkeamassa %L1: '%2'\n" "Raaka JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Virhe tallennettaessa molekyyliesitystä merkkijonoon: Tuntematon " "tiedostomuoto: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Virhe tallennettaessa molekyyliesitystä merkkijonoon: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Virhe luotaessa cjson-objektia: Jäsennysvirhe siirtymässä %1: %2\n" "Raaka JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Virhegeneraattorin cjson-objekti: Jäsennetty JSON ei ole objekti:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Syöttögeneraattori (virhe)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Syöttögeneraattori" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Jatka" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Sulje" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Tuntematon" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Seuraavaa tiedostoa on muokattu:\n" "\n" "%1\n" "\n" "Haluatko korvata muutokset vastaamaan uutta geometriaa tai työvaihtoehtoja?" msgstr[1] "" "Seuraavia tiedostoja on muokattu:\n" "\n" "%1\n" "\n" "Haluatko korvata muutokset vastaamaan uutta geometriaa tai työvaihtoehtoja?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Korvataanko muokatut syöttötiedostot?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Ongelmia tapahtui syötteen luomisen aikana:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Ei tallennettavia syöttötiedostoja!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Ei voi muodostaa yhteyttä MoleQueueeseen" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Ei voi muodostaa yhteyttä MoleQueue-palvelimeen. Varmista, että se on " "käynnissä, ja yritä uudelleen." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Lähetä %1:n laskelma" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Työ epäonnistui" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Työtä ei saatu päätökseen onnistuneesti." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Komentosarja palauttaa varoituksia:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Piilota &varoitukset" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Näytä &varoitukset" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Virhe on tapahtunut:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Valitse tulosteen tiedostonimi" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Sisäinen virhe: ei löytynyt teksti-vekotinta tiedostonimelle '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Tulosteen virhe" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Tiedostoon %1 kirjoittaminen epäonnistui." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Valitse lähtöhakemisto" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Hakemistoa ei ole olemassa!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Hakemistoa ei voi lukea!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Tiedosto korvataan." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Tiedosto ei ole kirjoituskelpoinen." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Syöttötiedostoihin ei voida kirjoittaa tuntemattoman virheen takia." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Syöttötiedostoihin ei voida kirjoittaa:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Syöttötiedostoihin ei voida kirjoittaa:\n" "\n" "%1\n" "\n" "Varoitukset:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Varoitus:\n" "\n" "%1\n" "\n" "Haluatko jatkaa?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Kirjoita syöttötiedostot" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Määritä työ" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Lähetetään työtä MoleQueuelle…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Työn lähetyksen aikakatkaisu" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro aikakatkaistiin odottaessaan vastausta MoleQueuelta." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Odotetaan työn %1 “%2” valmistumista…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Lopeta odottaminen" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Haetaan suoritetun työn tietoja…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Työnhaun aikakatkaisu" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro aikakatkaistiin odottaessaan valmiita työtietoja MoleQueuelta." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Virhe lähetettäessä työtä" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue on hylännyt työn: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Ei valittua ohjelmaa." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Valitse kohdeohjelma \"Jono ja ohjelma\" -luettelosta." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Asiakas epäonnistui lähettämään työtä MoleQueueelle." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Sisäinen virhe." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Ohjelman valintaa ei voi ratkaista. Tämä on vika." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormatissa ei ole asetettu molekyyliä!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "BackgroundFileFormatissa ei ole asetettu Io::FileFormatia!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormatissa ei ole asetettu tiedoston nimeä!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Jaettu vaakasuoraan" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Jaettu pystysuora" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vety" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boori" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Hiili" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Typpi" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Happi" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluori" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumiini" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Pii" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfori" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Rikki" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Kloori" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titaani" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadiini" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Kromi" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangaani" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Rauta" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Koboltti" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikkeli" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kupari" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Sinkki" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arseeni" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Seleeni" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromi" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdeeni" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teknetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Hopea" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tina" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telluuri" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jodi" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantaani" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodyymi" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodyymi" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantaali" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volframi" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Kulta" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Elohopea" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Lyijy" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Vismutti" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatiini" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Frankium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uraani" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerikium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Röntgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernikium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessiini" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Selaa" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Valitse tiedosto:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Valitse suoritettava:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Valitulle tiedostolle ei löydy sopivaa tiedostonlukijaa." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Tiedostotunniste puuttuu, joten muotoa ei voida määrittää. Haluatko lisätä " "sen?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Valitulle muodolle ei löydy sopivaa tiedostonkirjoitusohjelmaa." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "käsittelijät" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "käsittele" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lukijat" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "lue" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "kirjoittajat" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "kirjoita" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Löytyi useita %1, jotka voivat %2 tämän muodon. Kumpaa pitäisi käyttää?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Kaikki tiedostot" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Kaikki tuetut muodot" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Virhe luettaessa molekyyliesitystä: Tuntematon tiedostomuoto: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 viesti" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Varoitus" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Virhe" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Virhe kirjoitettaessa molekyyliesitystä merkkijonoon: Tuntematon " "tiedostomuoto: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Virhe kirjoitettaessa molekyyliesitystä merkkijonoon: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "\"userOptions\" puuttuu." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Vaihtoehtoa '%1' ei löytynyt." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' ei ole merkkijono vaihtoehdolle '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Otsikko" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Tiedoston nimen perusta" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Suorittimen ytimet" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Muisti" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Laskentatyyppi" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Perusta" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Varaus" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Monikertaisuus" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Liuotin" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Malli" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Käyttäjänimi" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Salasana" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tuntematon vaihtoehdon tyyppi '%1' vaihtoehdolle '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Virhe asetetessa oletusasetusta vaihtoehdolle '%1'. Huono vimpaintyyppi." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Virhe asetetessa oletusasetusta vaihtoehdolle '%1'. Huono oletusarvo:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Virhe asetetessa oletusasetusta vaihtoehdolle '%1'. Arvosta ei löytynyt " "kelvollista yhdistelmätietueindeksiä:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Käsittelemätön vimpain collectOptionsissa vaihtoehdolle '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[ei molekyyliä]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Kerros %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Pallo ja tikku" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Sarjakuvat" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Läheiset kontaktit" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kidehila" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Voima" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Nimiöt" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Lakritsi" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Pinnat" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Ei-kovalenttinen" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" "Molekyylien atomien kvanttiteoria (Quantum theory of atoms in molecules " "(QTAIM))" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetriaelementit" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (ympäröivä okkluusio)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volyymit" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Lankakehys" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Viiteakselit" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Ei otsikkoa" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Muokkaa molekyyliä" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Ei tallennettu" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Luo uusi näkymä" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Jaksollinen järjestelmä" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Pakettitila vaatii pixiä, mutta sitä ei löytynyt." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Virhe suoritettaessa komentosarjaa '%1 %2': Aikakatkaisu odottaa " "käynnistystä (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Virhe suoritettaessa komentosarjaa '%1 %2': kirjoitus epäonnistui stdiniin " "(len=%3, kirjoitti %4 tavua, QProcess-virhe: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Virhe suoritettaessa komentosarjaa '%1 %2': Aikakatkaisu odottaa " "valmistumista (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Virhe suoritettaessa komentosarjaa '%1 %2': Epänormaali poistumistila %3 " "(%4: %5)\n" "\n" "Lähtö:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Varoitus '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Virhe kirjoitettaessa raakaa pyyntöä komentosarjaan stdin (len=%1, kirjoitti " "%2 tavua, QProcess-virhe: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Komentosarjan käynnistyminen epäonnistui." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Komentosarja kaatui." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Komentosarja aikakatkaistiin." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Lukuvirhe." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Kirjoitusvirhe." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Tuntematon virhe." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Muokkaa kerroksia" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Poista kerros" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Poista kerrostiedot" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Lisää kerros" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Lisää kerrostiedot" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Vaihda kerros" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Lisää atomi" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Poista atomi" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Poista atomit" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Säädä vetyjä" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Vaihda alkuaineet" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Vaihda alkuaine" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Vaihda atomihybridisaatio" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Vaihda atomin muodollinen varaus" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Vaihda atomin väri" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Muuta jäännöksen väriä" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Vaihda atomikerros" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Lisää sidos" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Sidos poistettu" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Poista sidokset" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Määritä sidosjärjestykset" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Vaihda sidosten järjestys" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Päivitä sidokset" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Päivitä sidos" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Lisää yksikkösolu…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Poista yksikkösolu" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Muokkaa yksikkösolua" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Kääri atomit soluun" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Skaalaa solun tilavuutta" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Rakenna supersolu" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli-pelkistys" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Kierrä vakiosuuntaan" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Pelkistä primitiiviseksi" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Perinteisoi solu" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Tee solu symmetriseksi" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Täytä yksikkökoppi" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Pelkistä solun epäsymmetriseksi yksiköksi" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Vaihda atomin sijainnit" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Vaihda atomin sijainti" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Vaihda atomin nimiö" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Vaihda sidoksen nimiö" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Vaihda valinta" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Muuta molekyyliä" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Asetukset" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Lasketaan…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Alle sekunti jäljellä" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n sekunti jäljellä" msgstr[1] "%n sekuntia jäljellä" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n minuutti jäljellä" msgstr[1] "%n minuuttia jäljellä" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "Yksi tunti %n minuutti jäljellä" msgstr[1] "Yksi tunti %n minuuttia jäljellä" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n tunti jäljellä" msgstr[1] "%n tuntia jäljellä" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML -lohko." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Tiedosto" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Vie" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Vaihda alkuaineet…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Rakenna" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Alkuaine:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alkemia" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Vaihda atomien alkuaineet." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Kohdista" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Kohdista molekyylit\n" "\n" "Hiiren vasen painike:\tValitse enintään kaksi atomia.\n" "\tEnsimmäinen atomi on keskitetty alkupisteeseen.\n" "\tToinen atomi on kohdistettu valitulle akselille.\n" "Hiiren oikea painike:\tNollaa kohdistus.\n" "Kaksoisnapsautus:\tKeskitä atomi origoon." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Akseli:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Kohdista Origoon" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Kohdista akseliin" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Keskitä atomi origoon." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Kierrä molekyyliä kohdistaaksesi atomi määritellylle akselille." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Kohdistamistyökalu" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Kohdista molekyylit karteesiselle akselille" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Suorita APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Avaa lähtötiedosto…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Syöttö" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Avaa lähtötiedosto" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-tiedosto (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "ID-virhe" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Virhe luettaessa rakennetiedostoa (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX-virhe" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Virhe luettaessa OpenDX-tiedostoa: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Virhe luettaessa OpenDX-tiedostoa: Kuutiota ei löytynyt" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Ole vuorovaikutuksessa APBS-apuohjelmien kanssa." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Avaa PDB-tiedosto" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-tiedostot (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Avaa PQR-tiedosto" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-tiedostot (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Virhe" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Virhe APBS:n suorittamisessa: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Määritä PDB-tiedosto" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Menestys" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Luotu %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Virhe suoritettaessa PDB2PQR:aa" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Tallenna APBS-syöttötiedosto" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS-syöttö (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Syötetiedosto kirjoitettu kohteeseen '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Tiedostoa %1 ei voi tallentaa." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Mukautetun värin mukaan…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Atomi-indeksin mukaan…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Etäisyyden mukaan…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Alkuaineen mukaan" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Ketjun mukaan" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Osittaisvarauksen mukaan…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Toissijaisen rakenteen mukaan" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Aminohapon mukaan" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Muotoillun kaavan mukaan" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Lämpö" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Kuuma" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Harmaa" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Helvetti" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spektraalinen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Viileä lämmin" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Tasapaino" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Sinitummanpunainen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Sovella värimallit atomeihin ja jäännöksiin." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Näytä" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Värilliset atomit" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Värilliset jäänökset" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Valitse värikartta" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Värikartta:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Käytä indeksivärejä" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Käytä varausvärejä" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Käytä etäisyysvärejä" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Palauta atomien värit" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Käytä mukautettua väriä" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Käytä mukautettua jäännösväriä" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Palauta jäännösvärit" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Käytä toissijaisen rakenteen värejä" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Käytä aminohappovärejä" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Käytä muotoiltuja värejä" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Sovella värit" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Automaattinen optimointi" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Automaattinen optimointityökalu\t(%1)\n" "\n" "Navigointitoiminnot tyhjään tilaan napsautettaessa.\n" "Vasen hiiri:\tKierrä välilyöntiä\n" "Keskihiiri:\tZoomaa välilyöntiä\n" "Oikea hiiri:\tSiirrä välilyöntiä\n" "Kaksoisnapsautus:\tPalauta näkymä\n" "\n" "Kun se on käynnissä:\n" "Vasen hiiri:\tSiirrä atomeja napsauttamalla ja vetämällä niitä.\n" "Oikea hiiri:\tKierrä atomeja napsauttamalla ja vetämällä." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimoi" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dynamiikka" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Tehtävä:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Menetelmä:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Lämpötila:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Aika-askel:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Käynnistä" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Pysäytä" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimoi geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molekyylidynamiikka" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Automaattinen optimointityökalu" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Molekyyligeometrian vuorovaikutteinen optimointi" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atomin mittakaava" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Sidoksen asteikko" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Läpikuultamattomuus" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Näytä useat sidokset" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Näytä vedyt" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Esitä atomit palloina ja sidokset sylintereinä." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Sidoskeskeinen käsittely" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Sidoskeskeinen käsittelytyökalu\t(%1)\n" "\n" "Hiiren vasen painike:\tKierrä näkymää napsauttamalla ja vetämällä.\n" "Hiiren keskipainike:\tLähennä tai loitonna napsauttamalla ja vetämällä.\n" "Hiiren oikea painike:\tSiirrä näkymää napsauttamalla ja vetämällä.\n" "Kaksoisnapsautus:\tNollaa näkymä.\n" "\n" "Napsauta vasenta painiketta ja vedä sidosta asettaaksesi käsittelytason\n" "Napsauta vasenta nappia ja vedä yhtä sidoksen atomeista muuttaaksesi kulmaa\n" "Napsauta hiiren kakkospainikkeella ja vedä yhtä sidoksen atomeista " "muuttaaksesi pituus" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Sidoskeskeinen käsittelytyökalu." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Työkalu, jolla muokataan molekyyligeometriaa muuttamalla sidosten pituutta " "ja kulmia." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Sido atomit" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Havaitse sidoslärjestykset" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Poista sidokset" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Määritä sidonta…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Sido valitut atomit" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Sidos" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Poista sidokset kaikista tai valituista atomeista." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Luo sidoksia kaikkien tai valittujen atomien välille." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Havaitse sidosjärjestykset." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Sidonta" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Suorita sidostoiminnot." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Selkäranka" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Jälki" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Putki" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Nauha" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Yksinkertainen sarjakuva" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Sarjakuva" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Köysi" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Esittely biomolekyylin nauhoista/sarjakuvista." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Lisää keskipiste" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Lisää massankeskipiste" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Lisää kohtisuora" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Keskipiste" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Lisää keskipisteet ja massankeskipiste." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Enimmäisetäisyys:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Viivan leveys:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Yhteystiedot" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Suolasilta" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Hylkivä" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Hahmonnoi läheiset kontaktit atomien välille." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Laajennukset" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Komentosarjat" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Virhe luettaessa tulostiedostoa '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Käsitellään %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Aseta polku Python-tulkkiin:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Valitse python-tulkki ulkoisten komentosarjojen suorittamista varten.\n" "Avogadro on käynnistettävä uudelleen, jotta muutokset tulevat voimaan." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Komentosarjakomennot" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Suorita ulkoiset komentosarjakomennot" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python-asetukset…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Asenna Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Pythonia käytetään moniin Avogadron ominaisuuksiin. Haluatko ladata Pythonin?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Määritä Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Määritä Python-ympäristöt." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Muu…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Rajoitteet…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Laske" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Rajoitteet" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Aseta rajoitteet geometrian optimoinnille" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Etäisyys" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Kulma" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Vääntökulma" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Jäädytä atomi" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Jäädytä X-akseli" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Jäädytä Y-akseli" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Jäädytä Z-akseli" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tyyppi" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Arvo" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atomi 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atomi 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atomi 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atomi 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomi&koordinaattimuokkain…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinaattieditori" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Atomien koordinaattien tekstin muokkaus." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Ylikirjoitetaanko muutokset?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Tekstiasiakirjaa on muokattu. Haluatko hylätä tekemäsi muutokset ja palata " "nykyiseen molekyyliin?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Liian vähän merkintöjä rivillä." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Epäkelvollinen alkuaineen nimi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Alkuaineen nimi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Epäkelvollinen alkuaineen symboli." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Alkuaineen symboli." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Epäkelvollinen atominnimiö." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Epäkelvollinen atomi-indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomi-indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Epäkelvollinen atomiluku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomiluku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Epäkelvollinen koordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X-koordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-koordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-koordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a'-hilakoordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b'-hilakoordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c'-hilakoordinaatti." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Virhe geometriaa soveltaessa" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Geometrian määritystä ei voitu jäsentää. Korjaa korostetut virheet ja yritä " "uudelleen.\n" "\n" "(Vihje: pidä hiiren osoitinta punaisen tekstin päällä nähdäksesi virheen " "kuvauksen.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Muokkaa atomikoordinaatteja" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Mukautettu" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-muoto (symbolit)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-muoto (nimet)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-muoto (atomiluvut)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Hilakoordinaatit (symbolit)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Hilakoordinaatit (nimet)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Hilakoordinaatit (atomiluvut)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-muoto (symbolit)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-muoto (nimet)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomoolinmuoto" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopioi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Leikkaa" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Poista" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Liitä" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Muokkaa" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Kopioi nimellä" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Virhe leikattaessa molekyyliä" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Virhe luotaessa leikepöydän dataa." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Lähtömuoto: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Lukijavirhe:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Virhe liitettäessä molekyyliä" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Molekyyliä ei voi liittää: Leikepöytä tyhjä!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Virhe luettaessa leikepöydän dataa." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Havaittu muoto: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopioi ja liitä" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Ole vuorovaikutuksessa leikepöydän kanssa." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K-syöttö" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Luo syöte CP2K:lle." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energia ja voimat" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometrinen optimointi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Elektroniset rakennemenetelmät (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekyylimekaniikka" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybridi kvanttiklassikko (ei vielä tuettu)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "EI MITÄÄN" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "YDIN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "TIHEUDET" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORIAN _UUDELLEENKÄYNNISTYS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "SATUNNAINEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "KÄYNNISTÄ UUDELLEEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "HARVA" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Yhdistä gradientit" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Jyrkin alamäki" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Syöttötiedostoa on muokattu. Haluatko korvata muutokset vastaamaan uutta " "geometriaa tai työvaihtoehtoja?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Korvataanko muokattu syöttötiedosto?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Tallenna CP2K-syöttötiedosto" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Lähetä CP2K-laskenta" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Tuo kide leikepöydältä…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Vaihda yksikkösolu" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Muokkaa yksikkösolua…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Kääri atomit yksikkösoluun" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Kierrä vakios&uuntaan" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Skaalaa solun &tilavuutta…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Rakenna &supersolu…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Pelkistä solu (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kide" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Poista &yksikkösolu" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Lisää &yksikkösolu" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Tuo kide leikepöydältä" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Kääri atomit yksikkösoluun." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Kierrä yksikkösolu vakioasentoon." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli pelkistä kide" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Yksikkösolu on jo pelkistetty." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kide" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Työkalut kidekohtaiseen muokkaamiseen/analysoimiseen." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Väritä akselit:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Viivan väri:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Hahmonnoi yksikkösolun rajat." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Tekstiä ei voi jäsentää" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Datan lukeminen toimitetussa muodossa epäonnistui." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Ei yksikkösolua läsnä." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Yksikkösolumuokkain" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Yksittäisen solumatriisin huomiotta jättäminen" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Yksittäisen murtolukuisen solumatriisin huomiotta jättäminen" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Määritä &mukautetut alkuaineet uudelleen…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Käsittele mukautettuja alkuainetyyppejä nykyisessä molekyylissä." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Mukautetut alkuaineet" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolimomentti" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Hahmonnoi molekyylin dipolimomentti." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Piirrä" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Piirustustyökalu\t(%1)\n" "\n" "Vasen-hiiri:\tNapsauta ja vedä luodaksesi atomeja ja sidos\n" "Oikea-hiiri:\tPoista atomi" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Piirrä atomi" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Vaihda sidostyyppi" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Poista sidos" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Etäisyys:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Muokkaintyökalu" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automaattinen" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Yksinkertainen sidos" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Kaksoissidos" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Kolmoissidos" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Tuo" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Nouda PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB-molekyyliä ei voitu lukea: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB-koodi" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Ladattava kemiallinen rakenne." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Epäkelvollinen PDB-koodi" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB-koodin on oltava täsmälleen neljä merkkiä pitkä." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB-koodin ensimmäisen merkin on oltava 1–9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Kysellään %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Verkkolataus epäonnistui" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Verkon aikakatkaisu tai muu virhe." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Määriteltyä molekyyliä ei löytynyt: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Nouda PDB:sta" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Lataa PDB-mallit Protein Data Bankista" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Keskittymisvalinta" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Kumoa keskittyminen" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Keskitä" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Keskitä näkymä tiettyihin ominaisuuksiin." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Hahmonnoi molekyylin atomien voimakenttävisualisoinnit." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Voimat" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Määritä…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Jäädytä valitut atomit" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Jäädytä X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Jäädytä Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Jäädytä Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Vapauta valittujen atomien jäädytyksestä" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Yhdistä valitut atomit" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Pura valittujen atomien yhdistys" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Ei atomeja ilmoitettu optimointia varten" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energia: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energia = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 voimanormi = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Voimakentän optimointi" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Pakota kentän minimointi, mukaan lukien komentosarjat" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Vaihtoehdot…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Virheelliset mallivaihtoehdot" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Mallin '%1' käyttäjävaihtoehtoja ei voitu jäsentää." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 vaihtoehdot" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automaattinen tunnistus (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Universaali voimakenttä" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Yleistetty Amber-voimakenttä" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merckin molekyylivoimakenttä 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS-syöttö" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Luo syöte GAMESSille." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Yksittäinen piste" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Tasapainotilan geometria" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Siirtymätila" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Taajuudet" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Tee EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Ydinpotentiaali" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ei mitään" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Kaasu" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Vesi" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Kolmikko" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Sanelu" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kationi" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutraali" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anioni" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianioni" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Tallenna GAMESS-syöttötiedosto" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Lähetä GAMESS-laskelma" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Säädä vedyt" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Lisää vetyjä" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Poista &ylimääräiset vedyt" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Poista kaikki vedyt" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Lisää/poista vetyjä nykyisestä molekyylistä." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Vedyt" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vedyt" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Etsi PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Tuo PQR:sta" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Lataa molekyyli PQR:sta." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Lisää" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Lisää DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Tymiini" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Lisää molekyyli…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Luodaan kolmiulotteista molekyyliä…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Lisää DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Lisää DNA/RNA-palasia dialogin kautta." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekyyli…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kide…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Virhe luettaessa tiedostoa (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Tuo kide" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Lisää palanen" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Lisää palanen" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Lisää molekyylipalasia suurempien molekyylien rakentamiseksi." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptidi…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Aseta peptidi sisään" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "Asetapeptidisisään" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Aseta oligopeptidisekvenssit sisään." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Väri:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Etäisyys keskipisteestä:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Indeksi" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Ainutlaatuinen tunnus" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Alkuaine" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Alkuaine ja luku" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Alkuaine ja tunnus" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Osittainen varaus" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atominimiö:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Pituus" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Sidosnimiö:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "Tunnus" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nimi" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Nimi ja tunnus" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Jäännösnimiö:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Näytä nimiöt palloon ja kiinnitä tyyliin." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Muokkaa nimiöitä" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Atominimiötyökalu\n" "\n" "Vasen-hiiri:\tNapsauta atomit lisätäksesi mukautettuja nimiöitä" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Luo nimiö" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Nimiömuokkaintyökalu" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS-syöttö" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Luo syöte LAMMPS:lle." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Haluatko päivittää esikatselun tekstin menettäen kaikki Lampps-" "syöttölaitteen esikatseluruudussa tehdyt muutokset?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Peittävyys:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Hahmonnoi atomit lakritsina/tikkuina." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Kuvailijoita ei löytynyt!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Rivimuotoisia lukijoita ei löytynyt!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Pyydetyn muodon lukijan lataaminen ei onnistu." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Koordinaatteja ei löytynyt!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Ei pysty luomaan kolmiulotteisia koordinaatteja." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Lataa yksiriviset molekyylikuvailijat syöttövalintaikkunan kautta." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuloi" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Käsittelytyökalu\t(%1)\n" "\n" "Vasen-hiiri:\tNapsauta ja vedä siirtääksesi atomeja\n" "Oikea-hiiri:\tKierrä atomeja napsauttamalla ja vetämällä." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipuloi työkalua" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mittaa" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Mittaustyökalu\t(%1)\n" "\n" "Vasen.hiiri:\tValitse enintään neljä atomia.\n" "\tEtäisyydet mitataan välillä 1-2 ja 2-3\n" "\tKulma mitataan välillä 1-3 käyttämällä 2:ta yhteisenä pisteenä\n" "\tDihedral mitataan välillä 1-2-3-4\n" "Oikea-hiiri:\tNollaa mittaukset." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Kulma:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Mittaustyökalu" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(odottava)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Ominaisuus" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molekyylin nimi" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molekyylimassa (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoisotooppinen massa (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Kemiallinen kaava" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Atomien lukumäärä" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Sidosten lukumäärä" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Koordinaattimääritteet" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Jäännösten lukumäärä" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Ketjujen lukumäärä" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Nettovaraus" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Nettopyörimismonikertaisuus" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipolimomentti (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO-energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO-energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO-energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Kokonaisenergia (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nollapisteenergia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropia (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbsin vapaa energia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Pisteryhmä" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molekylaarinen…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Katso molekyylin yleiset ominaisuudet." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analysoi" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Ominaisuudet" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekyyliominaisuudet" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molekyylin ominaisuudet" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Vie CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-tiedostot (*.csv);;kaikki tiedostot (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Tiedostoa ei voitu avata kirjoittamista varten." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Virhe kirjoitettaessa tiedostoon." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Vie…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigoi" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Navigointityökalu\t(%1)\n" "\n" "Vasen-hiiri:\tKierrä näkymää napsauttamalla ja vetämällä.\n" "Keskihiiri:\tLähennä tai loitonna napsauttamalla ja vetämällä.\n" "Oikea-hiiri:\tSiirrä näkymää napsauttamalla ja vetämällä." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Kierrä kohtausta x-, y- tai z-akselia pitkin." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Zoomaa kohtausta." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Käännä zoomaussuunta vierittämisen yhteydessä" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Oletus:\tVieritä alas loitontaaksesi ja vieritä ylös lähentääksesi\n" "Käänteinen:\tVieritä ylös loitontaaksesi ja vieritä alas lähentääksesi" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigointityökalu" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kemiallinen nimi" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Verkkotietokannat" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" "Ole vuorovaikutuksessa verkkotietokantojen, kyselyrakenteiden jne. kanssa." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Kulman toleranssi:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogeeni" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Kalkogeeni" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Hahmonnoi muutama ei-kovalenttinen vuorovaikutus." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Määritä voimakenttä…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Konformeerien haku…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Havaitse sidokset" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Lisää vetyä pH:n vuoksi…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Poista vedyt" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" "%1 ei löytynyt! Poistetaan Open Babel -liitännäisen toiminnot käytöstä." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Open Babel -tiedostomuodot eivät ole valmiita lisättäväksi." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Ladataan molekyyliä Open Babelista…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Tapahtui sisäinen virhe: OpenBabel::readMolecule kutsuttiin, mutta obabel-" "tulostetta ei ole saatavilla jäsennettäväksi!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Virhe suoritettaessa Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Virhe jäsennettäessä openbabel-tulostetta." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Tuettujen voimakenttien luetteloa noudettaessa tapahtui virhe. (käyttäen " "'%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekyyli epäkelvollinen. Geometriaa ei voi optimoida." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Geometriaa ei voi optimoida Open Babelilla." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimoidaan geometriaa (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Luodaan…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Tapahtui sisäinen virhe luotaessa Open Babel -esitystä nykyisestä " "molekyylistä." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Käynnistetään %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Vaihe %1/%2\n" "Nykyinen energia: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Päivitetään molekyyliä…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Virhe tulkittaessa Open Babel -tulostetta." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Obabelin tulosteen atomien lukumäärä (%1) ei vastaa alkuperäisen molekyylin " "atomien lukumäärää (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molekyyli epäkelvollinen. Ei voi luoda konformeereja." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Ei voi luoda konformeereja Open Babelilla." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Konformeerien luominen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Luo konformeerit" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Tiedostoa ei voi avata Open Babelilla." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Epäkelvollinen molekyyli: Ei voi havaita sidoksia." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Sidosten havaitseminen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Luodaan XYZ-esitystä…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Virhe luotaessa XYZ-merkkijonoa." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Muunnetaan XYZ Open Babeliksi %1:lla…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Päivitetään molekyyliä Open Babelista…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Vetyjä ei voi lisätä Open Babelilla." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Lisätään vedyt (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Luodaan Open Babel -syötettä…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Virhe luotaessa Open Babel -syötettä." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Suoritetaan %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Lisää vetyjä pH:n vuoksi" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Luodaan obabel-syötettä…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Vetyjä ei voi poistaa Open Babelilla." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Poistetaan vedyt (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Virhe luotaessa Open Babel -dataa." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Luetaan obabel-tulostetta…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel on jo käynnissä. Odota, että toinen toiminto on suoritettu " "loppuun, ja yritä uudelleen." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Ole vuorovaikutuksessa OpenBabel-apuohjelmien kanssa." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&AvaaMM-skripti…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM-syöttö" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Luo syöte OpenMM:lle." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Haluatko päivittää esikatselun tekstin, menettäen kaikki OpenMM-syöttöpakin " "esikatseluruudussa tehdyt muutokset?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "yläosa" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Tosi" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Hahmonnoi referenssiakselit näytön kulmassa." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Hallitse liitännäisiä…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Pakettiasennusohjelma" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Asenna, päivitä ja poista Avogadro-paketit." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Virhe ladattaessa liitännäisluetteloa: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Virhe: tyhjä vastaus palvelimelta." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Virhe noudettaessa README:ta: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Ei mitään valittuna" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" "Valitse ruutu liitännäisen vieressä asentaaksesi tai päivittääksesi sen." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (vaatii %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Versioyhteensopimattomuus" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Seuraavat liitännäiset vaativat uudemman Avogadron version:\n" "\n" "%1\n" "\n" "Asennetaanko silti?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Valitut liitännäiset eivät tarjoa ladattavaa lähde-URL-osoitetta:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Ladataan %1 kohteeseen %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Poista asennettu liitännäinen valitsemalla sen vieressä oleva ruutu." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Poista liitännäiset" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Poistetaanko %n valittu liitännäinen?" msgstr[1] "Poistetaanko %n valittua liitännäistä?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Säilytä tiedostot" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Valitse liitännäisten hakemisto" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Liitännäinen jo asennettu symbolisena linkkinä: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Asennetaan liitännäistä %1:sta…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Tila" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versio" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Kuvaus" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "VIRHE: zip-tiedostoa ei voitu avata sisällön luetteloimiseksi.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "VIRHE: zip-tiedostoa ei voitu avata tiedostojen purkamiseksi.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Varoitus: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Toistin" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Animaatiotyökalu\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Ruutu:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Aloitus:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Loppu:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dynaaminen sidos?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Kuvataajuus:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS (ruutua sekunnissa)" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Toista" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Nauhoita…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Tauko" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Elokuva (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Vie bittikarttagrafiikka" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Elokuva (*.mp4);;Elokuva (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS -tuen varoitus" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "GIF-tiedostomuoto ei tue kuvanopeuksia, jotka ovat yli 100 ruutua sekunnissa." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Elokuva (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Virhe: kehystä ei voi lisätä videoon." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Toistimen työkalut" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Toista liikeradat" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Piirrä konformeridata…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Konformerianalyysi" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Nopeudet" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Energiayksiköt:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Suhteellinen energia (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Voimat (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Nopeudet (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Luo ja piirrä konformeeridataa (RMSD tai energia)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Piirrä parijakautumisfunktio…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "PDF-kuvion luominen epäonnistui" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Virheviesti: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Luo ja piirrä parijakaumafunktiokäyrä." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Piirrä teoreettinen XRD-kuvio…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "XRD-kuvion luominen epäonnistui" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Molekyylin muuntaminen CIF-muodoksi epäonnistui." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "GenXrdPatternista luetut tiedot näyttävät olevan vioittuneet!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Virhe: genXrdPattern-suoritettavaa ei löytynyt!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Virhe: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Luo ja piirrä teoreettinen XRD-kuvio käyttämällä ObjCryst++:ta." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Päivitä" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Virhe ladattaessa liitännäistietoja." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Virhe jäsennettäessä liitännäistietoja." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Tämä liitännäinen edellyttää tiettyjen pakettien asentamista.\n" "Haluatko asentaa ne?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Aina" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Ei koskaan" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Lataaminen kohteesta %1 epäonnistui: tilakoodi %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Puretaan %1 kohteeseen %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1 tiedostoa valmiina\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Purkaminen onnistui\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Virhe purettaessa: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Asennus peruttu\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Lataa liitännäiset…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Lataa liitännäiset" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Lataa liitännäiset GitHub-tietovarastoista." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Hahmonnoi…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Tallenna tiedosto" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstitiedosto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Hahmonnoi kohtaus PLY:ta käyttäen." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Hahmonnoi…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Tekstitiedosto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Hahmonnoi kohtaus POV-Ray:ta käyttäen." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Klikkaa vaihtaaksesi väriä" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valenssi" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Muodollinen varaus" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Osittainen varaus" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Nimiö" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotooppi" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Väri" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atomi" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Aloita atomi" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Lopussa oleva atomi" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Sidosjärjestys" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Pituus (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Ketju" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Toissijainen rakenne" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogeeni" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Kulma (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energia (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Säädä fragmenttia" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π Helix" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Taivuta" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α Helix" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-arkki" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-silta" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Kela" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atomin ominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Sidosominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Kulmaominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Vääntöominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Jäännösominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Konformeerin ominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Taulukot atomin, sidoksen, kulman ja vääntöominaisuuksien näyttämiseen ja " "muokkaamiseen." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Ominaisuustaulukot" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atomiominaisuudet" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Sidosominaisuudet" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Kulmaominaisuudet" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Vääntöominaisuudet" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Konformeerien ominaisuudet" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Jäännösominaisuudet" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Osittaisen varauksen tyyppi" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Valitse osittaisen varauksen tyyppi:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Vaihda varaustyyppiä…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Jäädytä atomi" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Jäädytä Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Jäädytä Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Kumoa atomin jäädytys" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Poista rajoite" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Tiedostoa %1 ei voida lukea." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Väliaikaistiedoston luominen epäonnistui." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Hahmonnoi primitiivit QTAIM-ominaisuuksia käyttäen" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekyylikaavio…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molekyylikaavio yksinäisillä pareilla…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomivaraus…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Avaa WFN-tiedosto" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-tiedostot (*.wfn);;kaikki tiedostot (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM-laajennus" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Kvanttisyöttö" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Luo syöte kvanttikoodeille." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Keskipiste" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Kohdista näkymä akseleihin" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Kohdista näkymä akseleihin." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Nollaa näkymä" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipuloi katselukameraa." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Komentosarjojen varausmallit" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Lataa sähköstaattiset mallit ulkoisista skripteistä." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Skriptitiedostomuodot" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Lataa tiedostonlukija/kirjoittimet ulkoisista skripteistä." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Valitse Kaikki" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Valitse ei mitään" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Käänteinen valinta" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Valitse alkuaineen mukaan…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Valitse atomi-indeksin mukaan…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Valitse jäännöksen mukaan…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Valitse selkärangan atomit…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Valitse sivuketjun atomit…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Valitse vesi" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Suurenna valinta" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Pienennä valinta" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Luo uusi kerros valinnasta" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Vaihda valinnat" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Valitse" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Valitse alkuaine" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Valitse selkäranka" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Valitse sivuketju" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Valitse atomit indeksin mukaan" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Valittavat atomit:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Valitse atomi" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Valitse atomit jäännösten mukaan" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Valittavat jäännökset:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Valitse jäännös" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Valitse" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Valinta" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Valintatyökalu\t(%1)\n" "\n" "Vasen-hiiri:\tNapsauta valitaksesi yksittäiset atomit, jäännökset tai " "palaset\n" "\tValitse atomialue vetämällä\n" "Oikea-hiiri:\tNapsauta molekyylin ulkopuolella poistaaksesi valinnan\n" "\tKäytä Ctrl vaihtaaksesi valintaa ja siirrä lisätäksesi valintaan.\n" "Kaksoisnapsautus:\tValitse koko palanen." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Maalaa atomit" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Valintatyökalu" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Uusi kerros" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Havaitse avaruusryhmä…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Aseta symmetriseksi" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Pelkistä epäsymmetriseksi yksiköksi" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Määritä toleranssi…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Täytä yksikkösolu…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Avaruusryhmä" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Täytä symmetriset atomit kideavaruusryhmän perusteella." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Täytä kaikki atomit kideavaruusryhmän perusteella." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Havaitse avaruusryhmä" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Avaruusryhmä on jo määritetty täksi: %1.\n" "Haluatko korvata sen?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Avaruusryhmän havaitseminen onnistui:\n" "Toleranssi: %1 Å\n" "Avaruusryhmä: %2\n" "Hall-symboli: %3\n" "Kansainvälinen symboli: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Epäonnistuminen" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Avaruusryhmän havaitseminen epäonnistui.\n" "Haluatko yrittää uudelleen eri toleranssilla?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitiivinen pelkistys" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Toleranssi on tällä hetkellä määritetty täksi: %1.\n" "Edetäänkö tällä toleranssilla?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitiivinen pelkistys epäonnistui.\n" "Tarkista kiteesi ja yritä uudelleen eri toleranssilla." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Solun perinteiseksi saaminen epäonnistui.\n" "Tarkista kiteesi ja yritä uudelleen eri toleranssilla." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetriseksi saaminen epäonnistui.\n" "Tarkista kiteesi ja yritä uudelleen eri toleranssilla." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "Toleranssilla %1 Å avaruusryhmätiedot havaittiin seuraavasti:\n" "Kansainvälinen numero: %2\n" "Hall-symboli: %3\n" "Kansainvälinen symboli: %4\n" "\n" "Jatketaanko tämän avaruusryhmän kanssa?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Valitse toleranssi Å:nä:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonaalinen" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonaalinen" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Kuusikulmainen" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Kuutiomainen" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Alkeellinen solu havaittu" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "Nykyinen yksikkösolu näyttää olevan alkeellinen solu (ei 90° kulmat), mutta " "avaruusryhmä %1 odottaa keskitettyä perinteistä solua.\n" "\n" "Yksikkösolun täyttäminen voi luoda odottamattomia kaksoisatomeja.\n" "\n" "Haluatko ensin luoda perinteisen solun?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Solun muuttaminen perinteiseksi epäonnistui." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Kansainvälinen" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Kristallijärjestelmä" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Valitse avaruusryhmä" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Avaruusryhmä" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Avaruusryhmäominaisuudet kiteille." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infrapuna" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Värähtelevä ympyrädikroismi" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Magneettinen ympyrädikroismi" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Elektroninen" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Ympyrädikroismi" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Tilatiheys" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Valitse taustaväri" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Valitse etualan väri" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Valitse laskettu spektriväri" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Valitse tuotu spektrin väri" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Aallonpituus (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Värähtelyspektri" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Aaltoluvut (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Lähetys" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Raman-spektri" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensiteetti" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR-spektri" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Kemiallinen siirtymä (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Elektroninen spektri" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Tiheys" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molekyylikiertoradat…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Kiertorataikkuna" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Näytä kiertoratalistat." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Kiertorata" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symmetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molekyylikiertoradat" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekyylikiertorata" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronitiheys" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Tiedostosta" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " %0:sta" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Luo pinnat…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Hahmonnoi van der Waalsin pinta." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Hahmonnoi van der Waalsin molekyylipinta." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Hahmonnoi liuottimellasaavutettava molekyylipinta." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Hahmonnoi liuottimestapoissuljettu molekyylipinta." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Hahmonnoi molekyylin kiertorata." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Hahmonnoi elektronitiheys." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Hahmonnoi pyörimistiheys." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Hahmonnoi tiedoston mukana toimitettu kuutio." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Lasketaan elektronin tiheyttä" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Lasketaan molekyylikiertorataa %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Elokuva AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Vie elokuva" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Elokuva MP4 (*.mp4);;Elokuva AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Lue ja hahmonnoi pinnat." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Hahmonnoi kohtaus SVG-tiedostossa." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Luokka" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Symmetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Tarjoa symmetriatoiminto." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Hahmonnoi symmetriaelementit." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Ryhmä %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Malline" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Leikepöytä" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Mallinetyökalu" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Yksinkertainen VdW-pallojen näyttö." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Värähtelytilat…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Näytä värähtelytilojen valintaikkuna." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Aseta värähtelytila." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Aseta värähtelyn amplitudi." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Värähtelyt" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Näytä värähtelytilat." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML-hahmonnointi…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstitiedosto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Hahmonnoi kohtaus VRML:ta käyttäen." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Esitä molekyyli rautalankakehyksenä." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Ei voida laskea kaistarakennetta: ei yksikkösolua!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop-suoritus epäonnistui seuraavalla virheellä:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Yaehmopin kaistarakenteen lähdön lukeminen epäonnistui!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Vain yksi erityinen k-piste löytyi Yaehmop-tulostuksesta! Kaksi tai useampi " "vaaditaan!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermin taso" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Luo syöte PDB:sta" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Voimakenttä:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Osittaisvaraukset" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Lisää" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Muodin määrittely. Jokainen merkki ilmaisee " "kirjoitettavan arvon atomia kohti:

# - Atomin indeksi (1, 2, ..., numAtoms)
Z - Atomiluku (esim. \"6\" hiilelle)
G - GAMESS-tyylinen atomiluku " "(esim. \"6,0\" hiilelle)
N - " "Elementin nimi (esim. \"Hiili\")
S - Elementin symboli (esim. \"C\" hiilelle)
L - Atominimiö (esim. \"C2\" toiselle hiiliatomille, " "\"H1\" ensimmäiselle vetylle)
x - X-paikan koordinaatti
y " "- Y-paikan koordinaatti
z - Z-" "paikan koordinaatti
a - 'a'-" "hilakoordinaatti (kiteet vain)
b - 'b'-hilakoordinaatti (kiteet vain)
c - 'c'-hilakoordinaatti (kiteet vain)
_ - Kirjaimellinen välilyönti (\" \"), " "hyödyllinen tasaukselle
0 - " "Kirjaimellinen 0 (\"0\"), hyödyllinen optimointilipuille
1 - Kirjaimellinen 1 (\"1\"), hyödyllinen " "optimointilipuille

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Oletusasetukset" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Tallenna tiedosto…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Sidoskertaluku:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Varaus:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nimi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Muu" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Yksittäinen" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Kaksois-" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Vaihda Z-reunuksen tyyli." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Vaihda Y-reunuksen tyyli." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Vaihda X-reunuksen tyyli." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Luo…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Kuvailija:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origo" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Konformeerien haku" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Menetelmä" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Konformeerien lukumäärä:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimointi konformeeria kohti:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Voimakenttä:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Hae liitännäisiä…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Luotettavan 2theta-pisteen määrä.

Oletus: 1000" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Huipun leveys:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Laskettu spektri:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Sulje" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Hahmonnus" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Väritys mukaan:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resoluutio:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Laske" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Tallenna elokuva…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekyyli" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordinointi:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Ryhmät" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Ryhmä:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Syötä erityiset k-pisteet sellaisenaan:

L 0,5 " "0,5 0,5

G 0,0 0,0 0,0

X 0,5 0,0 0,5

Toisin sanoen " "<symboli> <x> <y> <z> missä x, y ja z ovat murto-" "osia käänteisavaruuden koordinaatteja. Nämä k-pisteet yhdistetään kaavioon " "siinä järjestyksessä, jossa ne asetit. Huomaa, että solusi suunta voi " "vaikuttaa näiden käänteisavaruuspisteiden sijaintiin.

Jos kiteen " "avaruusryhmä on havaittu tai asetettu, erityiset k-pisteet täytetään " "automaattisesti tämän avaruusryhmän primitiivisillä solun korkean symmetrian " "pisteillä. On olemassa muutamia avaruusryhmiä, joilla on erilaiset korkeat " "symmetriapisteet hilasta riippuen (kuten jos > b tai < b) - tämä " "huomioidaan automaattisesti.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Jaksottaisten mittojen määrä.


Jos " "arvoksi on asetettu 1, materiaali on jaksollinen vain pitkin kiteen A-" "vektoria.


Jos arvoksi on asetettu 2, materiaali on " "jaksollista sekä A- että B-vektorilla.


Jos arvoksi on " "asetettu 3, materiaali on jaksoittaista kiteen A-, B- ja C-vektoreita pitkin." "


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Ricky Tigg," msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Sähköpostisi" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Vaihtoehto '%1' ei viittaa objektiin." #, qt-format #~ msgid "Tab %1" #~ msgstr "Välilehti %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Virhe: arvon on oltava objekti avaimelle '%1'." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Muokkaa värien läpikuultamattomuuskarttaa…" #~ msgid "ColorOpacityMap" #~ msgstr "VärienLäpinäkymättömyyskartta" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Muokkaa värien peittävyyskarttoja ensisijaisesti tilavuuden hahmonnointia " #~ "varten." #~ msgid "Volume Rendering" #~ msgstr "Tilavuuden hahmonnointi" #~ msgid "Enable volume rendering" #~ msgstr "Ota tilavuuden hahmonnointi käyttöön" #~ msgid "Enable surface rendering" #~ msgstr "Ota pinnan hahmonnointi käyttöön" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Virhe noudettaessa metatietoja energiaskriptille: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Virhe jäsennettäessä metatietoja energia-skriptille: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Virhe jäsennettäessä metatietoja energia-skriptille: %1\n" #~ "Tulos ei ole JSON-objekti.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Ei voi ladata komentosarjaa %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Tarkistetaan %1 komentosarjaa polussa %2" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Kulmat:" #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Peruuta" #~ msgid "°" #~ msgstr "°" #~ msgid " " #~ msgstr " " #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(odottava)" #~ msgid "unknown molecule" #~ msgstr "tuntematon molekyyli" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Viiteakselien peittokuva" #~ msgid "Meshes" #~ msgstr "Verkot" #~ msgid "Plot RMSD curve…" #~ msgstr "Piirrä RMSD-käyrä…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Luo ja piirrä RMSD-käyrä." #, fuzzy, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atominimiötyökalu\t(%1)\n" #~ "\n" #~ "Vasen-hiiri:\tNapsauta atomit lisätäksesi mukautettuja nimiöitä" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Taulukot atomin, sidoksen, kulman ja vääntöominaisuuksien näyttämiseen ja " #~ "muokkaamiseen." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Kohdista molekyylit\n" #~ "\n" #~ "Hiiren vasen painike: Valitse enintään kaksi atomia.\n" #~ "\tEnsimmäinen atomi on keskitetty alkupisteeseen.\n" #~ "\tToinen atomi on kohdistettu valitulle akselille.\n" #~ "Hiiren oikea painike:\tNollaa kohdistus.\n" #~ "Kaksoisnapsautus:\tKeskitä atomi alkupisteeseen." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Sidoskeskeinen käsittelytyökalu\t(%1)\n" #~ "\n" #~ "Hiiren vasen painike:\tKierrä näkymää napsauttamalla ja vetämällä.\n" #~ "Keskihiiri:\tLähennä tai loitonna napsauttamalla ja vetämällä.\n" #~ "Hiiren oikea painike:\tSiirrä näkymää napsauttamalla ja vetämällä.\n" #~ "Kaksoisnapsautus:\tNollaa näkymä.\n" #~ "\n" #~ "Napsauta vasenta painiketta ja vedä sidosta asettaaksesi " #~ "manipulointitason:\n" #~ "Napsauta vasenta nappia ja vedä yhtä sidoksen atomeista muuttaaksesi " #~ "kulmaa\n" #~ "Napsauta hiiren kakkospainikkeella ja vedä yhtä sidoksen atomeista " #~ "muuttaaksesi pituus" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Piirustustyökalu\t(%1 )\n" #~ "\n" #~ "Vasen-hiiri:\tNapsauta ja vedä luodaksesi atomeja ja sidos\n" #~ "Oikea-hiiri:\tPoista atomi" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atominimiötyökalu\t(%1)\n" #~ "\n" #~ "Vasen-hiiri:\tNapsauta atomit lisätäksesi mukautettuja nimiöitä" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Manipulointityökalu\t(%1)\n" #~ "\n" #~ "Vasen-hiiri:\tNapsauta ja vedä siirtääksesi atomeja\n" #~ "Oikea-hiiri:\tKierrä atomeja napsauttamalla ja vetämällä.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Mittaustyökalu\t(%1)\n" #~ "\n" #~ "Vasen.hiiri:\tValitse enintään neljä atomia.\n" #~ "\tEtäisyydet mitataan välillä 1-2 ja 2-3\n" #~ "\tKulma mitataan välillä 1-3 käyttämällä 2:ta yhteisenä pisteenä\n" #~ "\tDihedral mitataan välillä 1-2-3-4\n" #~ "Oikea-hiiri:\tNollaa mittaukset." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigointityökalu\t(%1)\n" #~ "\n" #~ "Vasen-hiiri:\tKierrä näkymää napsauttamalla ja vetämällä.\n" #~ "Keskihiiri:\tLähennä tai loitonna napsauttamalla ja vetämällä.\n" #~ "Oikea-hiiri:\tSiirrä näkymää napsauttamalla ja vetämällä.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Oletus:\tVieritä alas loitontaaksesi ja vieritä ylös lähentääksesi\n" #~ "Käänteinen:\tVieritä ylös loitontaaksesi ja vieritä alas lähentääksesi" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Animaatiotyökalu \t(%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Valintatyökalu\t(%1)\n" #~ "\n" #~ "Vasen-hiiri:\tNapsauta valitaksesi yksittäiset atomit, jäännökset tai " #~ "palaset\n" #~ "\tValitse atomialue vetämällä\n" #~ "Oikea-hiiri:\tNapsauta molekyylin ulkopuolella poistaaksesi valinnan\n" #~ "\tKäytä Ctrl vaihtaaksesi valintaa ja siirrä lisätäksesi valintaan.\n" #~ "Kaksoisnapsautus:\tValitse koko palanen." #~ msgid "Render polygon meshes." #~ msgstr "Hahmonnoi monikulmioverkot." #~ msgid "&Analysis" #~ msgstr "&Analyysi" #~ msgid "∞" #~ msgstr "∞" #, fuzzy #~| msgid "Partial Charge" #~ msgid "Partial Charge" #~ msgstr "Osittaisvaraus" #, fuzzy #~| msgid "Animation..." #~ msgid "Animation Tool" #~ msgstr "Animaatio" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Täytä yksikkökoppi" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Järjestysluku" #, fuzzy #~ msgid "By Distance" #~ msgstr "Etäisyys" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Järjestysluku" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Molekyylin varaus:" #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Muu..." #, fuzzy #~ msgid "Filename" #~ msgstr "Tiedoston nimi:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Alkuaineen nimi" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekyyli" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Molekyyli" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Lisää vetyjä" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Atomiominaisuudet..." #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Sidosominaisuudet..." #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Ominaisuudet" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Kiertokulmaominaisuudet..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Sidosominaisuudet..." #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Etäisyys" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Kulma" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Kiertokulma" #, fuzzy #~ msgid "Yes" #~ msgstr "Vuotta" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrian optimisointi" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Lisää vetyjä" #, fuzzy #~ msgid "Stopped" #~ msgstr "Pysäytä" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Pinnat" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Väri alkuaineen mukaan (hiili = harmaa, happi = punainen, ...)" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Axes" #~ msgstr "Akselit" #~ msgid "Hydrogen Bond" #~ msgstr "Vetysidos" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderöi vetysidokset" #~ msgid "Polygon" #~ msgstr "Monikulmio" #~ msgid "Stick" #~ msgstr "Tikku" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Kierrettävien sidosten määrä: %1" #~ msgid "Add constraint" #~ msgstr "Lisää rajoite" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin yhdestä atomista, jotta voit lisätä " #~ "rajoitteen" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin kahdesta atomista, jotta voit lisätä " #~ "sidosrajoitteen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin kolmesta atomista, jotta voit lisätä " #~ "kulmarajoitteen" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin neljästä atomista, jotta voit lisätä " #~ "kiertokulmarajoitteen" #~ msgid "Undefined" #~ msgstr "Määrittelemätön" #~ msgid "Constraints..." #~ msgstr "Rajoitteet..." #~ msgid "&Vector Graphics..." #~ msgstr "&Vektorigrafiikka" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "H to Methyl" #~ msgstr "H metyyliin" #~ msgid "Show Preview" #~ msgstr "Näytä esikatselu" #~ msgid "Hide Preview" #~ msgstr "Piilota esikatselu" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Tallenna POV-Ray-renderöity kuva" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Kuvatiedostot (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Valintasi on olla käyttämättä suoraa POV-Ray-renderöintiä etkä halua " #~ "säilyttää POV-Ray-tiedostoa. Tällöin tulosta ei tulla tallettamaan. " #~ "Oletko varma että haluat toimia näin?" #~ msgid "Python Terminal" #~ msgstr "Python-terminaali" #~ msgid ")" #~ msgstr ")" #~ msgid "Name cannot be empty." #~ msgstr "Nimi ei voi olla tyhjä." #~ msgid "There is already a selection with this name." #~ msgstr "Tämän niminen valinta on jo olemassa." #~ msgid "Orbitals" #~ msgstr "Orbitaalit" #~ msgid "Set Aspect Ratio" #~ msgstr "Aseta kuvasuhde" #~ msgid "Tools" #~ msgstr "Työkalut" #~ msgid "Align:" #~ msgstr "Kohdista:" #~ msgid "Everything" #~ msgstr "Kaikki" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Ei voitu asettaa voimakenttää..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Algorithm:" #~ msgstr "Algoritmi:" #~ msgid "Fixed atoms are movable" #~ msgstr "Kiinnitetyt atomit voivat liikkua" #~ msgid "Ignored atoms are movable" #~ msgstr "Huomiotta jätetyt atomit voivat liikkua" #~ msgid "Auto Rotation Tool" #~ msgstr "Automaattinen kiertotyökalu" #~ msgid "x rotation:" #~ msgstr "x-akselin kiertymä:" #~ msgid "x rotation" #~ msgstr "x-akselin kiertymä" #~ msgid "y rotation:" #~ msgstr "y-akselin kiertymä:" #~ msgid "y rotation" #~ msgstr "y-akselin kiertymä" #~ msgid "z rotation:" #~ msgstr "z-akselin kiertymä:" #~ msgid "z rotation" #~ msgstr "z-akselin kiertymä" #~ msgid "Distance(s):" #~ msgstr "Etäisyydet:" #~ msgid "Draw Bond" #~ msgstr "Piirrä sidos" #~ msgid "Atom/Bond" #~ msgstr "Atomi/Sidos" #~ msgid "Z-Matrix" #~ msgstr "Z-matriisi" #~ msgid "Bond Radius:" #~ msgstr "Sidoksen säde:" #~ msgid "Dipole:" #~ msgstr "Dipoli:" #~ msgid "Bond order" #~ msgstr "Sidoskertaluku" #~ msgid "Radius:" #~ msgstr "Säde:" #~ msgid "Include Nitrogens" #~ msgstr "Sisällytä typet" #~ msgid "Orbital:" #~ msgstr "Orbitaali:" #~ msgid "Positive" #~ msgstr "Positiivinen" #~ msgid "Negative" #~ msgstr "Negatiivinen" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Number of rotatable bonds:" #~ msgstr "Kierrettävien sidosten määrä:" #~ msgid "Ignore Atom" #~ msgstr "Jätä atomi huomiotta" #~ msgid "Fix Atom" #~ msgstr "Kiinnitä atomi paikoilleen" #~ msgid "Fix Atom X" #~ msgstr "Kiinnitä atomi X" #~ msgid "Fix Atom Y" #~ msgstr "Kiinnitä atomi Y" #~ msgid "Fix Atom Z" #~ msgstr "Kiinnitä atomi Z" #~ msgid "All" #~ msgstr "Kaikki" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Algorithm" #~ msgstr "Algoritmi" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Set the background color to be transparent" #~ msgstr "Aseta taustaväri läpinäkyväksi" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "Default" #~ msgstr "Oletusarvo" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO-optimisaatio" #~ msgid "Raman Intensities" #~ msgstr "Raman-intensiteetit" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normaali ajo" #~ msgid "Debug" #~ msgstr "Virheenjäljitys" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Z-matriisin muuttujien määrä" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Käytä symmetriaa laskemisen aikana" #~ msgid "Minutes" #~ msgstr "Minuuttia" #~ msgid "Hours" #~ msgstr "Tuntia" #~ msgid "Days" #~ msgstr "Päivää" #~ msgid "Weeks" #~ msgstr "Viikkoa" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisointimenetelmä:" #~ msgid "Print the Initial Guess" #~ msgstr "Tulosta alkuarvaus" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "Solvate with Water" #~ msgstr "Liuota veteen" #~ msgid "# of Core Electrons:" #~ msgstr "Sisäelektronien määrä" #~ msgid "Numeric" #~ msgstr "Numeerinen" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rationaalifunktio-optimisaatio" #~ msgid "Z-matrix" #~ msgstr "Z-matriisi" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Tavallinen" OpenChemistry-avogadrolibs-ceb949f/i18n/fr.po000066400000000000000000015026211516317240700212270ustar00rootroot00000000000000# Éfrit , 2020. # Boris Faure , 2020. # Maxime Leroy , 2021, 2022. # Pa , 2021. # Translator , 2022, 2023. # Norwid Behrnd , 2023, 2024, 2025, 2026. # research11111 , 2023. # LibreTranslate , 2024, 2025, 2026. # Weblate Translation Memory , 2024, 2025, 2026. # Eric Remy , 2025. # Hēphaïstos , 2025. # Eisuke Kawashima , 2025, 2026. # Maetnicio , 2025. # "David D." , 2025. # FX Coudert , 2026. # Li Chaoyu <2395074867@qq.com>, 2026. msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-31 12:09+0000\n" "Last-Translator: Li Chaoyu <2395074867@qq.com>\n" "Language-Team: French \n" "Language: fr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Travail par lots #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Aucun message spécifié." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "La sortie du script --print-options doit être un objet JSON à la racine. " "Reçu :\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Avertissement de non-chaîne de caractères renvoyé." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Le membre \"warnings\" n'est pas un tableau." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Le fichier de référence '%1' n'existe pas." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Erreur de remplissage du fichier %1 : %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Le fichier '%1' est mal structuré. Il manque les membres 'contents' ou " "'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Le fichier d'entrée est mal structuré : le nom du fichier ou le contenu sont " "manquants ou ne sont pas une des chaînes des caractères :\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Le fichier à la position %1 est mal structuré : Ce n'est pas un objet." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "Le membre 'files' n'est pas un tableau." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Le membre 'files\" est manquant." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Le membre 'mainFile' ne fait pas référence à une entrée dans 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Le membre 'mainFile' doit être une chaîne de caractères." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "La réponse doit être un objet JSON à la racine." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Sortie du script :\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erreur d'interprétation à l'emplacement %L1 : '%2'\n" "JSON brut :\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Erreur à l'écriture de la représentation en chaîne de caractères : Fichier " "au format %1 non reconnu" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" "Erreur à l'écriture de la représentation de la molécule en chaîne de " "caractère : %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erreur en générant l'objet cjson : l'interprétation à échouée à la position " "%1 :%2\n" "JSON brut :\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Erreur lors de la génération de l'objet cjson : Le JSON analysé n'est pas un " "objet :\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Générateur d'entrée (erreur)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "Générateur d'entrée %1" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continuer" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fermer" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Inconnu" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Le fichier suivant a été modifié :\n" "\n" "%1\n" "\n" "Voulez-vous écraser vos modifications pour tenir compte de la nouvelle " "géométrie ou des options du travail ?" msgstr[1] "" "Les fichiers suivants ont été modifiés :\n" "\n" "%1\n" "\n" "Voulez-vous écraser vos modifications pour tenir compte de la nouvelle " "géométrie ou des options du travail ?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Remplacer les fichiers d'entrée modifiés ?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Des problèmes sont survenus pendant la génération de l'entrée :" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Aucun fichier d'entrée à sauvegarder !" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "La connexion à MoleQueue a échouée" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "La connexion au serveur MoleQueue a échouée. Veuillez vérifier qu'il est " "bien lancé, puis réessayez." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Soumettre le calcul %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "La tâche a échouée" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "La tâche n'a pas pu aboutir complètement." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Le script à renvoyé des avertissements :\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Masquer les a&vertissements" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Afficher les a&vertissements" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Une erreur est survenue :" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Sélectionnez le nom du fichier de sortie" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Erreur interne : Le widget texte n'a pas pu être trouvé pour le fichier " "« %1 »" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Erreur à la sortie" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "L'écriture du fichier %1 a échouée." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Sélectionnez le dossier de sortie" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1 : Ce dossier n'existe pas !" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1 : Ce dossier ne peut pas être lu !" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1 : Ce fichier va être remplacé." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1 : Ce fichier n'est pas inscriptible." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "En raison d'une erreur inconnue, il est impossible d'écrire les fichiers " "d'entrée." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Ces fichiers d'entrée ne sont pas inscriptibles :\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Ces fichiers d'entrée ne sont pas inscriptibles :\n" "\n" "%1\n" "\n" "Avertissements :\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Avertissement :\n" "\n" "%1\n" "\n" "Voulez-vous continuer ?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Écrire les fichiers d'entrée" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configurer la tâche" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Soumettre la tâche à MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Délai de soumission de tâche est expiré" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro a arrêté d'attendre la réponse de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Attente que la tâche %1 “%2” se finisse…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Cesser l'attente" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Récupération des informations sur les tâches terminées…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Délai de tâche est dépassé" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro a arrêté d'attendre les détails de la tâche finis par MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Erreur lors de la soumission de la tâche" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Cette tâche a été refusée par MoleQueue : %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Aucun programme sélectionné." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Veuillez sélectionner le programme cible de la liste « Queue and Program »." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Échec du client pour soumettre une tâche à MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Erreur interne." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Impossible de résoudre la sélection du programme. Ceci est un bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Aucune molécule définie dans « BackgroundFileFormat » !" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Aucun Io::FileFormat défini dans « BackgroundFileFormat » !" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Aucun nom de fichier défini dans « BackgroundFileFormat » !" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Diviseur horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Diviseur vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogène" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hélium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Béryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bore" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbone" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azote" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxygène" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Néon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnésium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicium" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phosphore" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Soufre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlore" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titane" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chrome" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganèse" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Fer" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Cuivre" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Sélénium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brome" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdène" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technétium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthénium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Étain" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimoine" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellure" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iode" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xénon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Césium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Baryum" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthane" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cérium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praséodyme" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Néodyme" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prométhium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutécium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantale" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungstène" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhénium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platine" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Or" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercure" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plomb" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astate" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Américium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkélium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendélévium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobélium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnérium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flérovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennesse" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Parcourir" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Sélectionner un fichier :" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Sélectionner un fichier exécutable :" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Impossible de trouver un lecteur de fichiers approprié pour le fichier " "sélectionné." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "L'extension de fichier est manquante, le format ne peut donc pas être " "déterminé. Voulez-vous l'ajouter ?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Impossible de trouver un éditeur de fichiers approprié pour le format " "sélectionné." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "gestionnaires" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "gérer" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lecteurs" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "lire" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "éditeur" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "écrire" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Plusieurs %1 ont été trouvés qui peuvent %2 ce format. Lequel utiliser ?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Tous les fichiers" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Tous les formats supportés" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Erreur lors de la lecture de la représentation de la molécule : format de " "fichier non reconnu : %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Avertissement" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Erreur" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Erreur lors de la écriture de la représentation moléculaire en chaîne de " "caractères : format de fichier non reconnu : %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" "Erreur lors de la écriture de la représentation moléculaire en chaîne de " "caractères : %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' manquant." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Impossible de trouver l'option « %1 »." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' n'est pas une chaîne de caractères pour l'option '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titre" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Nome de Base du fichier" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Cœurs du processeur" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Mémoire" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Type de calcul" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Théorie" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicité" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvant" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Modèle" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Nom d'utilisateur" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Mot de passe" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Type de l'option « %1 » non reconnu pour l'option « %2 »." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Erreur du paramètre par défaut pour l'option « %1 ». Type du widget invalide." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Erreur du paramètre par défaut pour l'option « %1 ». Valeur par défaut " "incorrecte :" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Erreur du paramètre par défaut pour l'option « %1 ». Impossible de trouver " "l'index d'entrée de combo valide avec la valeur :" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" "Widget non supporté dans les options de collection pour l'option « %1 »." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[pas de molécule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Calque %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Boules-bâtonnets" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Contacts proches" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Réseau Cristallin" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Étiquettes" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Dreiding" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "non covalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Éléments de symétrie" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (OA)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Fil de fer" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Axes de référence" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Sans titre" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Modifier la molécule" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Non enregistré" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Créer une nouvelle vue" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tableau périodique" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Erreur lors de l'exécution du programme « %1 %2 » : Délai d'attente pour le " "démarrer est écoulé (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Erreur lors de l'exécution du programme « %1 %2 » : la modification de stdin " "a échoué (longueur=%3, %4 bytes modifié, erreur QProcess : %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Erreur lors de l'exécution du programme « %1 %2 » : Délai d'attente pour le " "finir est écoulé (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Erreur lors de l'exécution du script « %1 %2 » : Code de sortie anormal %3 " "(%4 : %5)\n" "\n" "Sortie :\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Avertissement '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Erreur écrivant la requête brute au script stdin (len=%1, écrit %2 bytes, " "erreur QProcess: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Le démarrage du script a échoué." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Le script s'est écrasé." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Délai d'attente du programme est écoulé." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Erreur de lecture." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Erreur d'écriture." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Erreur inconnue." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modifier les calques" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Retirer le calque" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Supprimer les informations du calque" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Ajouter un claque" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Ajouter des informations au calque" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Changer le calque" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Ajouter un atome" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Supprimer l'atome" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Supprimer les atomes" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajuster les hydrogènes" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Modifier les éléments" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Modifier un élément" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Modifier l'hybridation de l'atome" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Modifier la charge formelle de l'atome" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Modifier la couleur de l'atome" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Modifier le calque des atomes" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Ajouter une liaison" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Liaison supprimée" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Supprimer les liaisons" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Définir l'ordre de liaisons" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Changer l'ordre des liaisons" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Mettre à jour les liaisons" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Mettre à jour la liaison" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Ajouter une maille …" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Supprimer la maille" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Modifier la maille" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Regrouper les atomes dans la maille" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Redimensionner le volume de la maille" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Construire une supermaille" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Réduction de Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Pivoter vers l'orientation standard" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Réduire à une maille primitive" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Réduire à une maille conventionnelle" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Symétriser la maille" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Remplir la maille" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Réduire la maille à l'unité asymétrique" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Modifier les positions des atomes" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Modifier la position de l'atome" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Modifier l'étiquette de l'atome" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Change l'étiquette de liaison" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Modifier la sélection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifier la molécule" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Paramètres" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Calcul en cours…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Moins d ' une seconde restante" #: qtgui/timedprogressdialog.cpp:82 #, fuzzy, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n second restante" msgstr[1] "%n seconds restantes" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 heure %n minute(s) restantes" msgstr[1] "1 heure %n minute(s) restantes" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloque HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fichier" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "E&xporter" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Modifier les éléments …" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construction" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Élément :" #: qtplugins/alchemy/alchemy.h:31 #, fuzzy msgid "Alchemy" msgstr "Alchimie" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Changer les éléments des atomes." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Aligner" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Aligner les molécules\n" "\n" "Bouton gauche :\tsélectionner jusqu'à deux atomes,\n" "\tLe premier atome est centré à l'origine,\n" "\tLe deuxième est aligné selon l'axe sélectionné.\n" "Bouton droit :\tréinitialiser l'alignement.\n" "Double clic :\tcentrer l'atome à l'origine." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axe :" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Aligner à l'origine" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Aligner sur l'axe" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centrer l'atome à l'origine." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Faire pivoter la molécule pour aligner l'atome sur l'axe spécifié." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Outil d'alignement" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Aligner les molécules selon un axe cartésien" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Lancer APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Ouvrir le fichier de sortie…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Entrée" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Ouvrir le fichier de sortie" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Fichier OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Erreur IO" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Erreur lors de la lecture du fichier de structure (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Erreur OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Erreur de lecture du fichier OpenDX : %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Erreur de lecture du fichier OpenDX : aucun cube trouvé" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagir avec les outils d'APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Ouvrir le fichier PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Fichiers PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Ouvrir le fichier PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Fichiers PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Erreur" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Erreur lors de l'exécution d'APBS : %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Veuillez spécifier le fichier PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Succès" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Enregistrer le fichier d'entrée APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Fichier d'entrée APBS (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Fichier d'entrée écrit dans « %1 »" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Impossible d’enregistrer le fichier %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Par couleur personnalisée…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Par indice d'atome …" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Par distance …" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Par élément" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Par chaîne" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Par charge partielle…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Par structure secondaire" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Par acide aminé" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Par schéma Shapely" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Gray" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Appliquer les schémas de couleurs aux atomes et aux résidus." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vue" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Colorer les atomes" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Colorer les résidus" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Sélectionner la palette de couleurs" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Palette des couleurs :" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Appliquer les couleurs" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimiser" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Méthode :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Température :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Période de temps :" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Commencer" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Arrêter" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimisation de la géométrie" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Dynamique moléculaire" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Échelle de l'atome" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Échelle de liaison" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacité" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Afficher les liaisons multiples" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Afficher les hydrogènes" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" "Représenter les atomes par des sphères et les liaisons par des cylindres." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulation axée sur les liaisons" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Outil de manipulation centré sur le lien (%1)\n" "\n" "Souris gauche : cliquez et faites glisser pour faire pivoter la vue.\n" "Souris du milieu : cliquez et faites glisser pour zoomer ou dézoomer.\n" "Souris droite : cliquez et faites glisser pour déplacer la vue.\n" "Double-clic : réinitialiser la vue.\n" "\n" "Cliquez et faites glisser sur une liaison pour définir le plan de " "manipulation\n" "Clic gauche et faites glisser l’un des atomes dans la liaison pour changer " "l’angle\n" "Cliquez avec le bouton droit et faites glisser l’un des atomes dans la " "liaison pour changer la longueur" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Outil de manipulation axée sur les liaisons." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Outil utilisé pour modifier la géométrie des molécules en changeant la " "longueur des liaisons et des angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Lier les atomes" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Percevoir l'ordre de liaisons" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Supprimer liaisons" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurer les liaisons…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Lier les atomes sélectionnés" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Liaison" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Supprimer les liaisons de tous les atomes ou des atomes sélectionnés." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Créer des liaisons parmi tous les atomes ou les atomes sélectionnés." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Percevoir l'ordre de liaisons." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Liaisons" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Effectuer des opérations axées sur les liaisons." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Squelette" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tuyau" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ruban" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Cartoon simple" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Corde" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Représenter la biomolécule par de rubans et de cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Ajouter un ¢roïde" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Ajouter un &barycentre" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Ajouter une &perpendiculaire" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroïde" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Ajouter des centroïdes et barycentres." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Distance maximale :" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Épaisseur de la ligne :" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Pont salin" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Répulsif" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Afficher les contact proche entre les atomes." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "E&xtensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Erreur de lecture du fichier de sortie « %1 » :\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Traitement %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Définir le chemin d'accès à l'interpréteur Python :" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Sélectionnez l'interpréteur Python pour exécuter des scripts externes.\n" "Avogadro doit être redémarré pour que les modifications prennent effet." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Scripts de commande" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Exécuter des scripts de commande externes" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Paramètres Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Installer Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python est utilisé pour de nombreuses fonctionnalités d'Avogadro. Voulez-" "vous télécharger Python ?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurer Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurer les environnements Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Autres…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Contraintes…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calculer" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Contraintes" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Définir des contraintes pour les optimisations géométriques" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distance" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Angle de torsion" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Geler atome" #: qtplugins/constraints/constraintsmodel.cpp:70 #, fuzzy msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Geler l'axe X" #: qtplugins/constraints/constraintsmodel.cpp:72 #, fuzzy msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Geler l'axe Y" #: qtplugins/constraints/constraintsmodel.cpp:74 #, fuzzy msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Geler l'axe Z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Type" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Valeur" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atome 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atome 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atome 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atome 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Éditeur des &coordonnées cartésiennes d'atomes…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Éditeur de coordonnées" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Édition textuelle des coordonnées de l’atome." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Remplacer les modifications ?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Le document texte a été modifié. Voulez-vous annuler les modifications et " "revenir à la molécule actuelle ?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Trop peu d’entrées en ligne." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nom de l'élément invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nom de l'élément." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Symbole de l'élément invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Symbole de l'élément." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "L'étiquette d'atome est invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Indice atomique est invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indice atomique." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Numéro atomique invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Numéro atomique." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordonnées invalides." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordonnée X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordonnée Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordonnée Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "coordonnée « a » du réseau." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "coordonnée « b » du réseau." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "coordonnée « c » du réseau." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Erreur d'application de la géométrie" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Impossible d’analyser les spécifications de la géométrie. Corrigez les " "erreurs surlignées et ressayez.\n" "\n" "(Aide : passez la souris sur le texte rouge pour obtenir une description de " "l’erreur.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Modifier les coordonnées de l’atome" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personnalisé" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Format XYZ (symboles)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Format XYZ (noms)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Format XYZ (numéros atomiques)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordonnées du réseau (symboles)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordonnées du réseau (noms)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordonnées du réseau (nombres atomiques)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Format GAMESS (symboles)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Format GAMESS (noms)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Format Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copier" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Couper" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Supprimer" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Coller" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Éditer" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copier comme" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Erreur lors de tailler la molécule" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Erreur de la génération des données du presse-papier." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format de sortie : %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Erreur du lecteur :\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Erreur pour coller la molécule" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Impossible de coller la molécule : presse-papier vide !" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Erreur de lecture des données du presse-papiers." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Format détecté : %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copier et coller" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagir avec le presse-papier." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrée CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Générer les données d’entrées pour CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Énergie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Énergie et Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimisation de la géométrie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Méthodes de la structure électronique (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Mécanique moléculaire" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Théorie classique quantique hybride (pas encore supportée)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "AUCUN" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIQUE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CŒUR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITÉS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "REDÉMARRER_L'HISTORIQUE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ALÉATOIRE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "REDÉMARRER" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Gradients conjugués" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Descente la plus forte" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Le fichier d'entrée a été modifié. Voulez-vous remplacer vos modifications " "pour utiliser la nouvelle géométrie ou les options de travail ?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Remplacer le fichier d'entrée modifié ?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Sauvegarder le fichier d'entrée CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Soumettre le calcul CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importer un cristal à partir du presse-papier…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Changer de maille" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Modifier la maille…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Regrouper les atomes dans la maille" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Pivoter vers l'&orientation standard" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Redimensionner la maille à un &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construction &d'une supermaille…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Réduire la maille (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Supprimer la &maille" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Afficher la &maille" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Importer un cristal depuis le presse-papiers" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Envelopper les atomes dans la maille." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Tourner la maille pour obtenir l'orientation standard." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Réduire le cristal (algorithme Niggli)" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Cette maille est déjà réduite." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Outils axés sur l'édition et l'analyse des cristaux." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Couleurs d'axes :" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Couleur de ligne :" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Afficher les limites de la maille." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Impossible d'analyser le texte" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Échec lors de la lecture des données avec le format fourni." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Aucune maille est présente." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Éditeur de la maille" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignorer la matrice cellulaire singulière" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignorer la matrice de cellules fractionnelles singulières" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Réassigner &des éléments personnifiés…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" "Manipuler les types des éléments personnalisés dans la molécule actuelle." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Éléments personnalisés" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolaire" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Rends le moment dipolaire de la molécule." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Dessiner" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Outil de dessin\t(%1)\n" "\n" "Clic gauche :\tCliquer et faire glisser pour créer des atomes et des " "liaisons\n" "Clic droit :\tEffacer un atome" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Dessiner un atome" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Changer le type de liaison" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Supprimer la liaison" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance :" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Outil d’édition" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatique" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Simple" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importer" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Récupérer la PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Impossible de lire la molécule PDB : %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Identifiant PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Structure chimique à télécharger." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Code PDB est invalide" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Un code PDB valide se compose d'exactement 4 caractères." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Le premier caractère du code PDB doit être un chiffre de 1 à 9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Requête pour %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Le téléchargement depuis le réseau a échoué" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Délai d'attente du réseau est expiré, ou autre erreur." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molécule spécifiée n'a pas pu être trouvée : %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Récupérer depuis la PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" "Télécharger des modèles PDB depuis la banque de données sur les protéines" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Sélection du focus" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Retirer le focus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Donner focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focaliser la vue sur des caractéristiques spécifiques." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Faire un rendu du champs de force pour les atomes de la molécule." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configurer…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Congeler les atomes sélectionnés" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Décongeler les atomes sélectionnés" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fusionner les atomes sélectionnés" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Défusionner atomes sélectionnés" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Aucun atome fourni pour l'optimisation" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Énergie : %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Énergie = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Norme de force = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Optimisation par champ de force" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Optimisation par champ de force, y comprit les scripts" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Détection automatique (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Champ de force universel (UFF)" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Champ de force Amber (GAFF)" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Champ de force Merck (MMFF94)" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Données d’entrée GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Générer les données d'entrée pour GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Point unique" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Géométrie à l'équilibre" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "État de transition" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Fréquences" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Générer PFE" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potentiel de cœur" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Rien" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Eau" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singulet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutre" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Sauvegarder le fichier d’entrée GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Soumettre le calcul GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajuster les hydrogènes" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Ajouter les hydrogènes" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Supprimer les hydrogènes &supplémentaires" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Supprimer tous les hydrogènes" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Ajouter/supprimer des hydrogènes de la molécule actuelle." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hydrogènes" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogènes" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Recherche PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importer de PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Télécharger une molécule depuis PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Insérer" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insérer un ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracile" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Insérer une molécule…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Génération d’une molécule en 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insérer de l’ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insérer des fragments d’ADN/ARN par une boîte de dialogue." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "&Molécule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Erreur de lecture du fichier (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importer un cristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Insérer un fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insérer un fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" "Insérer des fragments moléculaires pour construire de plus grandes molécules." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Couleur :" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Distance du centre :" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Indice" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID unique" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Élément" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Élément & nombre" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Élément & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Charge partielle" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Étiquettes de l'atome :" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Longueur" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Étiquette de liaison :" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nom" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Étiquette du résidu :" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Afficher un modèle boule-bâtonnets étiqueté." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Modifier les étiquettes" #: qtplugins/label/labeleditor.cpp:33 #, fuzzy msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Outil d’étiquetage Atom\n" "\n" "Souris gauche : cliquez sur Atomes pour ajouter des étiquettes personnalisées" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Créer une étiquette" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Outil d'édition d'étiquette" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Données entrée LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Générer de données d'entrée pour LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Souhaitez-vous de mettre à jour le texte de l'aperçu, en perdant toutes les " "modifications apportées dans le volet d'aperçu de la plate-forme d'entrée " "Lammps ?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacité :" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Faire un rendu d'atomes comme bâtonnets." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Aucun descripteur n'a été trouvé !" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Aucun éditeur de texte ligne par ligne n'a pas été trouvé !" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Impossible de charger le lecteur de format demandé." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Pas de coordonnées trouvées !" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Impossible de générer des coordonnées 3D." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Charger des descripteurs d'une seule ligne pour une molécule par le biais " "d'un dialogue de saisie." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuler" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Outil de manipulation\t (%1)\n" "\n" "Souris gauche : cliquez et faites glisser pour déplacer les atomes\n" "Souris droite : cliquez et faites glisser pour faire pivoter les atomes." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Outil de manipulation" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mesure" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Outil de mesure\t (%1)\n" "\n" "Souris gauche : Sélectionnez jusqu’à quatre atomes.\n" "\tLes distances sont mesurées entre 1-2 et 2-3\n" "\tL’angle est mesuré entre 1-3 en utilisant 2 comme point commun\n" "\tDihedral est mesuré entre 1-2-3-4\n" "Souris droite : Réinitialiser les mesures." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dièdre :" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle :" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Outil de mesure" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Propriété" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Nom de la molécule" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Masse moléculaire (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Formule chimique" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Nombre d'atomes" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Nombre de liaisons" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Ensembles de coordonnées" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Nombre de résidus" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Nombre de chaînes" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Charge nette" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "moment dipolaire (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Énergie HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Énergie LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Énergie SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Énergie totale (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Énergie du point zéro (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "enthalpie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "entropie (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "enthalpie libre de Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "groupe ponctuel de symétrie" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Moléculaire…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Voir les propriétés générales d'une molécule." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analyser" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propriétés" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propriétés de la molécule" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propriétés de la molécule" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Export en format CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fichiers CSV (*.csv) ;; Tous les fichiers (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Impossible d'ouvrir le fichier pour l'écriture." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Erreur lors de l'écriture au fichier." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Exporter…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Naviguer" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Outil de navigation (%1)\n" "\n" "Souris gauche : cliquez et faites glisser pour faire pivoter la vue.\n" "Souris du milieu : cliquez et faites glisser pour zoomer ou dézoomer.\n" "Souris droite : cliquez et faites glisser pour déplacer la vue." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Tourner la scène selon les axes x, y ou z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Magnifier la scène." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "&Translater la scène." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Inverser le sens du zoom sur le bouton de la rouelle" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Par défaut : faites défiler vers le bas pour réduire, faites défiler vers le " "haut pour zoomer\n" "Inversé : faites défiler vers le haut pour réduire, faites défiler vers le " "bas pour zoomer" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Outil de navigation" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nom chimique" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Base de données en réseau" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" "Interagir avec les bases des données sur ligne, interroger des structures, " "etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Tolérance de l'angle :" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogène" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Chalcogène" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Afficher quelques interactions non covalentes." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configurer le champ de force…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Recherche de conformères…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Percevoir les liaisons" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Ajouter des hydrogènes pour un valeur pH de…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Supprimer les Hydrogènes" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" "%1 n'a pas été trouvé ! Désactivation des actions des greffons Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Les formats de fichiers d'Open Babel ne sont pas prêt à être ajouté." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Chargement de la molécule depuis Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Une erreur interne s'est produite : OpenBabel::readMolecule a été appelé, " "mais aucun résultat n'est disponible pour être analysé !" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" "Une erreur interne s'est produite pendant l'exécution de Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Erreur lors de l'analyse des résultats d'Open Babel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Une erreur s'est produite lors de la récupération de la liste des champs de " "force pris en charge. (Utilisant « %1 »)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécule invalide. La géométrie ne peut pas être optimisée." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Impossible d'optimiser la géométrie avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimisation de la géométrie (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Génération…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Une erreur interne s'est produite lors de la génération d'une représentation " "Open Babel de la molécule actuelle." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Lancement de %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Pas %1 de %2\n" "Énergie actuel : %3\n" "dE : %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Mise à jour de la molécule…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Erreur lors de l'interprétation de la sortie de Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Le résultat (%1) ne contient pas le même nombre d'atomes que la molécule " "d'origine (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molécule invalide. Impossible de générer des conformères." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Ne peut pas générer des conformères avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Génération des conformères (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Générer des conformères" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Impossible d'ouvrir le fichier avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécule invalide : Impossible de percevoir les liaisons." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Percevoir les liaisons (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Génération d'une représentation XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Erreur lors de la génération de la chaîne de caractères XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Conversion de XYZ en Open Babel avec %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Mise à jour la molécule depuis Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Impossible d'ajouter des hydrogènes avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Ajouter des hydrogènes (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Génération des données d'entrée pour Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Erreur lors de la génération de données d'entrée de Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "En cours de l’exécution %1 …" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Ajouter des hydrogènes pour un pH de" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH :" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Génération de l'entrée d'Open Babel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Impossible de supprimer les hydrogènes avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Supprimer les hydrogènes (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Erreur lors de la génération des données d'Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Lecture des résultats d'Open Babel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel est déjà en cours d'exécution. Attendez que l'opération soit " "terminée et réessayez." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "Open Babel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagir avec les fonctionnalités d'Open Babel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "Script &OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrée OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Générer les données pour OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Souhaitez-vous de mettre à jour le texte de l'aperçu, en perdant tous les " "changements effectués dans le panneau d'aperçu de la plate-forme d'entrée " "d'OpenMM ?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Vrai" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Afficher les axes de référence au coin de l'écran." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Téléchargement de %1 vers %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "État" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Version" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Description" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Éditeur de fichier d'entrée" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERREUR : impossible d’ouvrir le fichier zip pour lister le contenu.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERREUR : impossible d’ouvrir le fichier zip pour extraire les fichiers.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Avertissement : (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Lecteur" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Outil d'animation\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Image :" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Liaisons dynamiques ?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Fréquence d'images :" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " IPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Lire" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Suspendre" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Vidéo (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exporter les graphismes matriciels" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Vidéo (*.mp4);;Vidéo (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "avertissement GIF nombre IPS supporté" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "Le format de ficher GIF ne supporte pas une cadence d'images supérieure à " "100 IPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Vidéo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Erreur : ne peut ajouter la trame à la vidéo." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Outil lecteur" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Lecture des trajectoires" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Tracer la fonction de distribution des paires (PDF)…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Échec de générer un modèle PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Message d'erreur : " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" "Calculer et tracer la courbe de la fonction de distribution des paires (PDF)." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Tracer le diffractogramme XRD théorique…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Échec de générer un diffractogramme XRD théorique" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Échec de conversion de la molécule au format CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Les données genXrdPattern apparaissent d'être corrompues !" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Erreur : impossible de localiser l’exécutable genXrdPattern !" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Erreur : " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "Générer et tracer un diffractogramme XRD théorique en utilisant ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Mise à jour" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Erreur lors du téléchargement des données du plugin." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Erreur lors de l'analyse des données du plugin." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Ce greffon nécessite certains paquets à installer.\n" "Vous voulez les installer ?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Toujours" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Jamais" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Échec de télécharger depuis %1 : code d'état %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extraction de %1 vers %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1 fichiers traités\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extraction réussie\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Erreur lors de l'extraction : %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Télécharger des greffons…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Télécharger des greffons" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Télécharger les greffons depuis les répertoires GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Rendu PLY…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Enregistrer le fichier" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Fichier Texte (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Faire un rendu de la scène avec PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Rendu POV-Ray…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Fichier Texte (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Faire un rendu avec POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Charge formelle" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Charge partielle" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Étiquette" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Couleur" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atome" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Atome de départ" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Atome terminal" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Ordre de liaison" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Longueur (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Chaîne" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Structure secondaire" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Hétérogène" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Sommet" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Énergie (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Ajuster le fragment" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "Hélice π" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Plié" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "Hélice α" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "Feuillet β" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "Pont β" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Tourne" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Ressort hélicoïdal" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Propriétés de l'atome…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Propriétés de la liaison…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Propriétés de l'angle…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Propriétés de la torsion…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Propriétés des résidus…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Propriétés des conformères …" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tableaux pour afficher et modifier des propriétés des atomes, des liaisons, " "des angles et des angles de torsion." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tableaux des Propriétés" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propriétés des atomes" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propriétés des liaisons" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propriétés des angles" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propriétés des angles de torsion" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propriétés des conformères" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Propriétés des résidus" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Geler l'atome" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Contraindre l’obligation" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Angle de contrainte" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Contrainte de torsion" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Affiche les primitives selon les propriétés QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Graphe moléculaire…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Graphe moléculaire avec les doublets non liant…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Charge partielle…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Ouvrir un fichier WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fichiers WFN (*.wfn);; Tous les fichiers (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extension QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Entrée quantique" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Générer les données d'entrée pour les codes quantiques." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centrer" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Aligner la vue sur les axes" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Aligner la vue sur les axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Réinitialiser la vue" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipuler la caméra de la visualisation." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Scripts des Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Chargez des modèles électrostatiques à partir de scripts externes." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Formats des fichiers script" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" "Charger les lecteurs de fichiers/éditeurs à partir de scripts externes." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Sélectionner tout" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Sélectionner aucun" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inverser la sélection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Sélectionner par élément…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Sélectionner par l'indice atomique…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Sélectionner par résidu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Sélectionner des atomes du résidu…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Sélectionner des atomes de la chaîne latérale…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Sélectionner les molécules d'eau" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Augmenter la sélection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Réduire sélection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Créer un nouveau calque avec la sélection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Changer les sélections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Sélectionner" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Sélectionner l'élément" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Sélectionner le squelette" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Sélectionner branche" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Sélectionner les atomes par indice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomes à sélectionner :" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Sélectionner un atome" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Sélectionnez des atomes par résidu" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Résidus à sélectionner :" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Sélectionner le résidu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Sélectionner" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Sélection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Outil de sélection (%1)\n" "\n" "Souris gauche : cliquez pour choisir des atomes, des résidus ou des " "fragments individuels\n" "\tFaites glisser pour sélectionner une plage d’atomes\n" "Souris droite : cliquez à l’extérieur de la molécule pour effacer la " "sélection\n" "Utilisez Ctrl pour basculer la sélection et décaler pour ajouter à la " "sélection.\n" "Double-clic : sélectionnez un fragment entier." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Colorer les atomes" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Outil de sélection" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Nouveau calque" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Détecter le groupe d'espace …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Symétriser" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Réduire à l'unité asymétrique" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Définir la tolérance…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Remplir la maille…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Groupe d'espace" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" "Remplir les atomes symétriques basés sur le groupe d'espace cristallin." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Détecter le groupe d'espace" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Le groupe d'espace est déjà défini comme : %1.\n" "Voulez-vous le remplacer ?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Échec" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "La détection du groupe d'espace a échouée.\n" "Souhaitez-vous la réessayer avec une tolérance différente ?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Réduction primitive" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "La tolérance est actuellement définie à : %1.\n" "Continuer avec cette tolérance ?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "La réduction à une maille primitive a échouée.\n" "Vérifiez vos données et essayez à nouveau une réduction avec une tolérance " "différente." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "L’établissement d'une maille conventionnelle a échoué.\n" "Vérifiez vos données et essayez-le à nouveau avec une tolérance différente." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Échec de la symétrisation.\n" "Veuillez vérifier vos données et essayez-la à nouveau avec une autre " "tolérance." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Sélectionner la tolérance en Å :" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Choisissez un groupe d'espace" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Groupe d'espace" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Caractéristiques des groupes d'espace pour les cristaux." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "&Plot des Spectres…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spectres" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Afficher les spectres." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infrarouge" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Électronique" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Dichroïsme circulaire" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Densité d'États" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Choisir la couleur d'arrière-plan" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Choisir la couleur du premier plan" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Choisir la couleur des spectres calculés" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Choisir la couleur des spectres importés" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Longueur d'onde (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Spectres vibrationnel" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "nombre d'ondes (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Spectres Raman" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensité" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "Spectres RMN" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Déplacement chimique (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Spectres électronique" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Énergie (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Spectres de dichroïsme circulaire" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Densité" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Surface" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Style :" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Rendu surfaces moléculaires." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Orbitales moléculaires…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Fenêtre orbitale" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Afficher les listes d'orbitales." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbitale" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symétrie" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "BV" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Orbitales moléculaires" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "accessible au solvant" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "solvant exclus" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbitale moléculaire" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densité électronique" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Densité spin" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Depuis le fichier" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " sur %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "&Créer les surfaces…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Faire un rendu la surface van der Waals." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Faire un rendu de la surface moléculaire van der Waals." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Faire un rendu de la surface moléculaire accessible au solvant." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Faire un rendu de la surface moléculaire du solvant exclu." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Faire un rendu d'une orbitale moléculaire." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Faire un rendu de la densité électronique." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Faire un rendu de la densité spin." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Rends un cube fourni avec le fichier." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cube %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calcul de la densité électronique en cours" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Calcul de la densité spin en cours" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calcul de l'orbital moléculaire %L1 en cours" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Vidéo AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Exporter la vidéo" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Vidéo MP4 (*.mp4);;Vidéo AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Lire et faire un rendu des surfaces." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Faire un rendu de la scène dans un fichier SVG." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Classe" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Symétrie…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Fournir une fonctionnalité de symétrie." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Faire un rendu des éléments de symétrie." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Groupe %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Outil de modèle (%1)\n" "\n" "Insérez des fragments, y compris des centres métalliques.\n" "Sélectionnez une géométrie d’élément et de coordination, puis cliquez pour " "insérer un fragment.\n" "\n" "Sélectionnez un ligand ou un groupe fonctionnel et cliquez sur un atome " "d’hydrogène pour l’attacher." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Presse-papier" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Insérer Template" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Insérer un ligand" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Outil de modélisation" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Affichage simple des sphères van der Waals." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Démarrer l'animation" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Arrêter l'animation" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "&Modes de vibrations…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Afficher la boîte de dialogue des modes vibrationnels." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Définissez le mode vibrationnel." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Définissez l'amplitude de la vibration." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Démarrez l'animation des vibrations." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Arrêter l'animation des vibrations." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Afficher les modes vibrationnels." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Rendu VRML…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Fichier Texte (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Faire un rendu de la scène avec VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Faire un rendu de la molécule en fil de fer." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calcule de la structure de bandes…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Impossible de calculer la structure de bandes : pas de maille !" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "L'exécution de Yaehmop a échouée avec l'erreur suivante :\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Échec de lire la structure de bandes de la sortie de Yaehmop !" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Un seul point spécial k a été trouvé dans la sortie Yaehmop ! Deux ou " "plusieurs sont nécessaires !" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Bande %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Niveau de Fermi" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Impossible de localiser Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Erreur : %1 n'a pas pu démarrer" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Entrée Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Effectuer des calculs de Hückel étendue avec yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Boîte de dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulaire" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Paramètres de calcul" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Texte provisoire…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Rétablir" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Déboguer le script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Soumettre le calcul…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Enregistrer l'entrée…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "File d'attente et programme :" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Rafraîchir" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Le nombre de cœurs du processeur à réserver pour cette " "tâche.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Cœurs du processeur :" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Supprimer les fichiers intermédiaires dès que la tâche " "est accomplie. Les résultats seront gardées dans la mémoire cache locale de " "MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Supprimer les fichiers distants quand terminé :" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Test pour éviter que cette tâche apparaisse dans " "l'interface graphique de MoleQueue par défaut.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Masquer la tâche dans MoleQueue :" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Afficher une notification contextuelle du système dès " "que le statut d'une tâche change.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Afficher les notifications de progression :" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Ouvrir la sortie dès que terminé :" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renommer les éléments" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insérer un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtre :" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Saisissez un nom ou une partie d'un nom pour n'afficher que les fichiers " "correspondants." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insérer" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Snippet 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copier dans le presse-papiers" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Fichier d'entrée d'une structure" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Générer l'entrée depuis le PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Fichier PDB :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Champ de force :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Lancer PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Charger un fichier PQR présent" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Fichier PQR :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Fichier d'entrée APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Sauvegarder le fichier d'entrée" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Lancer APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succès !" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Charger un fichier de structure" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Ouvrir un fichier Cube" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Charges partielles" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Modèle de charge :" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolérance de distance :" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distance minimale :" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Seul l’environnement conda « base » existe.\n" "Voulez-vous créer un nouvel environnement pour Avogadro ?\n" "Cela fera une copie de votre environnement de base.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nom de l'environnement :" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Sélectionnez la version Python utilisée pour exécuter des scripts.\n" "Ensuite, redémarrez Avogadro pour que les modifications soient prises en " "compte." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environnement :" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Ajouter des contraintes" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type :" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Indices d’atome :" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Valeur :" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Ajouter" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Options" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Supprimer sélection" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Supprimer tout" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Éditeur de coordonnées" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Prédéfini :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unité de distance :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angström" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Spécification du format. Chaque caractère représente " "une valeur à écrire par atome :

# - Indice atomique (1, 2, ..., numAtoms)
Z - Nombre atomique (par exemple \"6\" pour carbone)
G - Nombre atomique, style GAMESS " "(par exemple \"6.0\" pour carbone)
N - nom de l'élément (par exemple \"carbone\")
S - Symbole d'élément (par exemple \"C\" pour " "Carbone)
L - étiquette de " "l'atome (par exemple \"C2\" comme deuxième atome du carbone, \"H1\" comme le " "premier hydrogène)
x - " "coordonnée de position X
y - " "coordonné de position Y
z - " "coordonnée de position Z
a - " "coordonnée du réseau 'a' (cristaux uniquement)
b - coordonnée du réseau 'b' (cristaux uniquement)
c - coordonnée du réseau 'c' " "(cristaux uniquement)
_ - Un " "espace littéral (\" \"), utile pour l'alignement
0 - Un 0 littéral (\"0\"), utile comme option ou " "drapeau d'optimisation
1 - Un 1 " "littéral (\"1\"), utile comme option ou drapeau d'optimisation

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Aide…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Coller" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Rétablir" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "&Effacer" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Appliquer" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrée CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Tout réinitialiser" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Par défaut" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Sauvegarder le fichier…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuration de &base" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titre :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Base du nom du ficher :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "tâche" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "À Calculer :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Base :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Fonctionnel" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "VRAI" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extension de fichier pour les conversions d'Open Babel (par défaut - " "Avogadro::POSCAR) :" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Paramètres de la supermaille" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "empilements de la maille actuelle" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "multiples le long de l'axe a :" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "multiples le long de l'axe b :" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "multiples le long de l'axe c :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrice  :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Repositionner les atomes" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Appliquer" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Rétablir" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Masquer" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Redimensionner la maille à un volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Nouveau &volume :" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Coefficient multiplicateur :" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume actuel :" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Étiquette" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordre de liaison :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Paramètres d'optimisation de la géométrie" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Critères de convergence" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Convergence de l'énergie :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limite d'étapes :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unités" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " étapes" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Convergence du gradient :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Méthode d'optimisation" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Champs de force :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Détection automatique" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrée GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dans :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicité :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Avec :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge :" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Importer de PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Rechercher" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "étiquette" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonyme" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formule" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Rechercher par : " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formule :" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Télécharger" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nom :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insérer des acides nucléiques" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Générateur d'ADN/ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Acides nucléiques :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adénine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Séquence :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "nombre de paires de base par tour d'hélice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Autre" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases par tour :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Brins :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Simple" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Acide aspartique" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cystéine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Acide glutamique" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Hisidine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tyrosine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophane" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Thréonine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Sérine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proline" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phénylalanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Méthionine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Séquence (N à C) :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stéréochimie :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Terminaison N :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Terminaisons C :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Structure :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Chaîne linéaire" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Chaîne numéro :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Le numéro de chaîne du nouveau peptide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrée LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Commentaires du fichier d'entrée" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Sélectionner le type d'unité à utiliser durant la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unités" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "réel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "métal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "électron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potentiel de l'eau" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Sélectionnez le style d'atome utilisé dans le fichier de données." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Style d'atome" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomique" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "liaison" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipôle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoïde" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "totale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "ligne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "méso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "moléculaire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "péri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphère" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paquet d'ondes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Spécifiez le nom à utiliser pour le fichier de coordonnées." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fichier de coordonnées" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Température" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Sélectionnez le nombre de chaînes Nosé-Hoover dans l'ensemble NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Chaînes NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "Intervalle de temps pour la simulation selon le choix d'« Unités »." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Intervalle de temps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nom du fichier XYZ à écrire durant la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Copie des XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Nombre de dimensions du système." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Modifier le style de la limite en Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Modifier le style de délimitation selon la direction Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Modifier le style de délimitation selon la direction X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" "Sélectionner les styles de délimitation selon les directions X, Y et Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Limite" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Nombre de répliquants en directions X, Y, et Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Reproduire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Reproduire en X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Reproduire en Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Reproduire en Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Nombre total des pas de temps pour la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Nombre total des pas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Intervalle de copie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Définir les vélocités initiales des atomes pour la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Vitesses initiales" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Choisir la distribution des vitesses initiales des atomes." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussienne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Choisir les vitesses initiales des atomes correspondant à cette température." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" "Retirer la quantité de mouvement linéaire du système des vélocités initiales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Quantité de mouvement linéaire nulle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" "Retirer la quantité de mouvement angulaire du système des vélocités " "initiales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Quantité de mouvement angulaire nulle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Contrôler la sortie thermodynamique pendant la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Sortie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalle de sortie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Style de sortie thermodynamique." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Une ligne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Ligne multiple" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utiliser le formulaire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Générer…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descripteur :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translater par :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Tourner autour de :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origine" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centre de la molécule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centre de la sélection" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Axe des X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Axe des Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Axe des Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Déplacer :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Atomes sélectionnés" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Tout le reste" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Recherche de conformères" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Méthode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Nombre de conformères :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Recherche systématique de rotateurs" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Recherche aléatoire de rotateurs" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Recherche pondérée de rotateurs" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Recherche par algorithme génétique" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimisation par conformères :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Options de l'algorithme génétique" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "nombre d'enfants pour chaque géométrie parentale" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Enfants :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "fréquence de mutation (plus petite = mutations plus fréquentes)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutabilité :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" "nombre de générations identiques pour prouver que la convergence est atteinte" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergence :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Méthode d'évaluation :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "méthode d'évaluation de l'algorithme génétique (RMSD = distance géométrique, " "énergie = énergie les plus basses)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algorithme d'optimisation :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Technique de la recherche linéaire :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Plus grande pente" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradient conjugué" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Méthode de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "limiter les interactions non-covalentes" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "distance limite van der Waals :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "fréquence d'actualiser les paires non liées :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distance de coupure électrostatique :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "convergence « d'énergie » :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "éditeur des scripts OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Nom du script de tâche :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordonnées d'entrée :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologie d'entrée :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Champ de force :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Modèle d'eau :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvant implicite (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plateforme :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Référence" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Précision :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "simple" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mélangé" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Index de l'appareil :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Index des plateformes OpenCL :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Méthode non liée :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Tolérance Ewald :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Contraintes :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolérance des contraintes :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Eau rigide ?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Faux" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Coupure non liante :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Vecteur vitesse initiale aléatoire :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temp. de génération :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Intégrateur :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownien" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolérance d'erreur :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Taux de collisions :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Régulateur barostatique :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pression :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalle du régulateur barostatique" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporteurs :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Intervalle de rapport :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Étapes d'équilibrage :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Étapes de production :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimiser ?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Options de StateData :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Index des étapes" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Temps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Vitesse" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progression" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Énergie potentielle" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Énergie cinétique" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Énergie totale" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Options de tracé du fichier PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Rayon maximal :" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Étape (dr) :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Options du diffractogramme XRD théorique" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

L'élargissement du pic à la base du pic (en degrés)" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

La valeur maximale 2thêta en degrés.

Valeur par " "défaut : 162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

L'élargissement des bases des pics en degrés.

Valeur par défaut : 0,52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Nombre de points :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Largeur du pic :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Longueur d'onde :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

La longueur d'onde des rayons X en Angströms.

Valeur par défaut : 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Le nombre de points de 2theta à générer.

Valeur " "par défault : 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Télécharger les sélectionnés" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Rayon de point critique :" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Rayon de chemin de liaison :" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Taille constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Appliquer la couleur" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Afficher des spectres" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Facteur d'échelle :" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Axe des X, Minimum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "l'axe des X, maximum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Décalage :" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "l'axe des Y, maximum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Axe des Y, minimum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Largeur du pic :" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Seuil de pic :" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Unités :" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Apparence" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Définir couleur…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spectres importés :" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Taille de caractères :" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "largeur de ligne :" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Afficher" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importe un fichier tsv de spectres expérimentaux à superposer au tracé." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Importer…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Arrière-plan :" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Spectres calculés :" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Exporter…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exporter les données" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Fermer" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Commandes :\n" "Double clic gauche : restaure les limites des axes par défaut\n" "Clic droit + drag : déplace le tracé\n" "Clic central : agrandit la région\n" "Molette : zoom curseur" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Charger données…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualité : " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Très basse" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Basse" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Moyenne" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Élevée" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Très élevée" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Rendu" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configurer" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Générer les surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "bêta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colorer par :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potentiel électrostatique" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Résolution :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Valeur d'isosurface :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Lissage :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Faible" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Fort" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculer" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Enregistrer la vidéo…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Atomes symétriquement équivalents :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Verrouiller la symétrie" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Opérations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Éléments de symétrie :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Sous-groupes" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Sous-groupes :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolérance :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "serrée" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "normale" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "lâche" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "très lâche" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Détecter la symétrie" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Charge formelle :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6 : octaédrique" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1 : Linéaire" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2 : Linéaire" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3 : trigonal (plan)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4 : Tétraèdre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4 : Carré (plan)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5 : Bipyramide trigonale" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5 : Pyramide à base carrée" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6 : Prisme trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7 : Bipyramide pentagonale" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8 : Antiprisme carré" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptique" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Du presse-papiers" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groupes" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Groupe :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "éthylène" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "éthyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phényle" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "&Modes vibratoires" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude :" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Bande Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Y min : " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Le niveau de Fermi doit être connu avant de cocher " "cette case. Vous pouvez déterminer le niveau de Fermi en effectuant un " "calcul de la densité d'états et en affichant les données (il sera en haut " "des données). Ainsi, dès que le calcul de densité d'états est accompli, le " "niveau de Fermi sera automatiquement accordé au résultat du calcul de " "densité d'états.

Si cette case est cochée, assurez-vous que le niveau " "de Fermi correct est défini dans la boîte sur la droite.

Valeur à " "défaut : off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Dessiner le diagramme de Fermi ?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Ajuster les énergies pour que le zéro soit le Fermi ? " "Seulement disponible si nous dessinons le niveau de Fermi.


Valeur par défaut : off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Niveler le niveau de Fermi à zéro ?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# de points k reliant des points spéciaux k :" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Points spéciaux k" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Y max : " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Le niveau de Fermi

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Enter k-points spéciaux comme tels :

L 0.5 0.5 " "0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

C'est-à-dire, " "<symbole> <x> <y> <z> où x, y, et z sont des " "coordonnées fractionnaires en espace réciproque. Les lignes seront tracées " "en reliant ces points k sur le graphique dans l'ordre où vous les mettez. " "Veuillez noter que l'orientation de votre cellule peut avoir un effet sur " "les emplacements de ces points d'espace réciproque.

Si le groupe " "d'espace du cristal a été perçu ou réglé, les points de k spéciaux seront " "automatiquement remplis des points de symétrie haute cellule primitive pour " "ce groupe d'espace. Il y a quelques groupes d'espaces différents points de " "symétrie haute en fonction du treillis (comme si un > b ou un < b) - " "qui est pris en compte automatiquement.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Entrez le nombre de points k qui relieront les points " "k spéciaux. Plus il y a de points k, plus le graphique est lissé, mais le " "calcul peut prendre plus de temps.

Valeur par défaut : 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Limiter l'intervalle des ordonnées dans le graphique ?" "

Valeur par défaut : off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limiter l'intervalle des ordonnées ?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Le nombre de dimensions périodiques.


Si vous le ajuster à 1, le matériau sera périodique seulement le long " "du vecteur A du cristal.


Si égal à 2, la périodicité du " "matériau est le long les vecteurs A et B du cristal.


Si " "égal à 3, la périodicité suit les vecteurs A, B et C du cristal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Nombre de dimensions :" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Afficher l'entrée Yaehmop ?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Contributions du Launchpad : Geoffrey Hutchison, Laurent Peuch, Louis " "Ricard, Maijin, Nizar Kerkeni, Benoit Jacob, Mathieu Pasquet, Pierre " "Slamich, Jean-Marc, etc et les traducteurs via Weblate" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "benoitjacob@users.sourceforge.net, louis.ricard@polytechnique.fr, " "psycojoker@gmail.com, louis.ricard@polytechnique.edu " "nizar.kerkeni@gmail.com, jacob.benoit.1@gmail.com, nizarus@nizarus.org, " "nizarus@nizarus.tn, pierre.slamich@gmail.com, etc" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "L'option '%1' n'est pas une référence vers un objet." #, qt-format #~ msgid "Tab %1" #~ msgstr "Onglet %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Erreur : la valeur doit être un objet pour la clé '%1'." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Modifier la palette d'opacité des couleurs…" #~ msgid "ColorOpacityMap" #~ msgstr "ColorOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Modifier la palette d'opacité des couleurs, principalement pour les " #~ "rendus des volumes." #~ msgid "Volume Rendering" #~ msgstr "Rendu du volume" #~ msgid "Cube" #~ msgstr "Cube" #~ msgid "Enable volume rendering" #~ msgstr "Activer le rendu du volume" #~ msgid "Enable surface rendering" #~ msgstr "Activer le rendu de surface" #~ msgid "Isovalue" #~ msgstr "Isovaleur" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "" #~ "Erreur lors de la récupération des métadonnées du script d'énergie : %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Erreur lors de l'analyse des métadonnées du script d'énergie : %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Erreur lors de l'analyse des métadonnées du script d'énergie : %1\n" #~ "Le résultat n'est pas un objet JSON.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Impossible d’charger le script %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Vérification des scripts %1 dans le chemin %2" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Angles :" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Annuler" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(en attente)" #~ msgid "unknown molecule" #~ msgstr "molécule inconnue" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Superposition des axes de référence" #~ msgid "Meshes" #~ msgstr "Maillages" #~ msgid "Plot RMSD curve…" #~ msgstr "Tracer la courbe RMSD…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Générer et tracer une courbe RMSD." #, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Outil d’étiquetage Atom (%1)\n" #~ "\n" #~ "Souris gauche : cliquez sur Atomes pour ajouter des étiquettes " #~ "personnalisées" #~ msgid "Max 2*theta:" #~ msgstr "Max 2*thêta :" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tableaux pour afficher et modifier des propriétés des atomes, des " #~ "liaisons, des angles et des angles de torsion." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Aligner les molécules\n" #~ "\n" #~ "Bouton gauche :\tsélectionner jusqu'à deux atomes,\n" #~ "\tLe premier atome est centré à l'origine,\n" #~ "\tLe deuxième est aligné selon l'axe sélectionné.\n" #~ "Bouton droit :\tréinitialiser l'alignement.\n" #~ "Double clic :\tcentrer l'atome à l'origine." #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Outil de dessin \t(%1)\n" #~ "\n" #~ "Clic gauche : \tCliquer et faire glisser pour créer des atomes et des " #~ "liaisons\n" #~ "Clic droit : \tEffacer un atome" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Outil d'étiquetage d'atome \t(%1)\n" #~ "\n" #~ "Clic gauche : \t Cliquer sur les atomes pour leur attribuer des " #~ "étiquettes personnalisées" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Outil de manipulation \t(%1)\n" #~ "\n" #~ "Clic gauche : \tCliquer et faire glisser pour mouvoir les atomes\n" #~ "Clic droit : \tCliquer et faire glisser pour faire tourner les atomes.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Outil de mesure \t(%1)\n" #~ "\n" #~ "Clic gauche : \tSélectionner jusqu'à quatre atomes.\n" #~ "\tLes distances sont mesurées entre 1-2 et 2-3\n" #~ "\tL'angle est mesuré entre 1-3 en utilisant 2 comme point commun\n" #~ "\tLe dihèdre est mesuré entre 1-2-3-4\n" #~ "Clic droit : \tRéinitialiser les mesures." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Outil de navigation \t(%1)\n" #~ "\n" #~ "Clic gauche : \tCliquer et faire glisser pour faire pivoter l'angle de " #~ "vue.\n" #~ "Clic central : \tCliquer et faire glisser pour effectuer un zoom avant ou " #~ "arrière.\n" #~ "Clic droit : \tCliquer et faire glisser pour déplacer l'angle de vue.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Défaut : Défiler vers le bas pour réduire, vers le haut pour agrandir\n" #~ "Inversé : Défiler vers le haut pour réduire, vers le bas pour agrandir" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Outil d'animation\t(%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Outil de sélection \t(%1)\n" #~ "\n" #~ "Clic gauche : \tCliquer pour choisir des atomes individuels, des résidus " #~ "ou des fragments\n" #~ "\tFaire glisser pour sélectionner une série d'atomes\n" #~ "Clic droit \tCliquer en dehors de la molécule pour annuler la sélection\n" #~ "Utiliser « Ctrl » pour déclencher la sélection et « shift » pour ajouter " #~ "à la sélection.\n" #~ "Double clic : \tSélectionner un fragment entier." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Outil de modélisation \t(%1)\n" #~ "\n" #~ "Insérer des fragments, y compris des centres métalliques\n" #~ "Sélectionner un élément et la géométrie coordinatrice, puis cliquer pour " #~ "insérer un fragment.\n" #~ "\n" #~ "Sélectionner un ligand ou un groupe fonctionnel et cliquer sur un atome " #~ "d'hydrogène pour le lier." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+ 1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Faire un rendu du maillage des polygones." #~ msgid "&Analysis" #~ msgstr "&Analyse" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importer..." #~ msgid "Set Color..." #~ msgstr "Définir la couleur..." #~ msgid "&Export..." #~ msgstr "&Exporter..." #~ msgid "&Load data..." #~ msgstr "&Lire les données..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Charge partielle" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Outil de manipulation axée sur les liaisons\n" #~ "\n" #~ "Bouton gauche :\tcliquer et glisser pour tourner la vue.\n" #~ "Bouton central :\tcliquer et glisser pour effectuer un zoom avant ou " #~ "arrière.\n" #~ "Bouton droit :\tcliquer et glisser pour déplacer la vue.\n" #~ "Double clic :\tréinitialisation de la vue.\n" #~ "\n" #~ "Clic gauche et glisser sur une liaison pour définir le plan de " #~ "manipulation :\n" #~ "Clic gauche et glisser un des atomes de la liaison pour modifier son " #~ "angle\n" #~ "Clic droit et glisser un des atomes de la liaison pour modifier sa " #~ "distance" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Outil de dessin\n" #~ "\n" #~ "Clic gauche :\tCliquer et glisser-déposer pour ajouter des atomes et des " #~ "liaisons\n" #~ "Clic droit :\tSupprimer un atome" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Outil axé sur les étiquettes d'atomes\n" #~ "\n" #~ "Bouton gauche : Cliquez sur les atomes pour ajouter des étiquettes " #~ "personnalisées" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Outil de mesure\n" #~ "\n" #~ "Bouton gauche :\tsélectionner jusqu'à quatre atomes.\n" #~ "\tLes distances sont mesurées entre le 1er et le 2ème et le 2ème et le " #~ "3ème.\n" #~ "\tL'angle est mesuré entre le 1er et le 3ème autour du 2ème.\n" #~ "\tLe dièdre est mesuré entre le 1er, le 2ème, le 3ème et le 4ème.\n" #~ "Bouton droit :\teffacement des mesures." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Outil de navigation\n" #~ "\n" #~ "Bouton gauche :\tcliquer et glisser-déposer pour tourner la vue.\n" #~ "Bouton central :\tcliquer et glisser-déposer pour effectuer un zoom avant " #~ "ou arrière.\n" #~ "Bouton droit :\tcliquer et glisser déposer pour déplacer la vue.\n" #~ msgid "Animation Tool" #~ msgstr "Outil d'animation" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Outil de sélection\n" #~ "\n" #~ "Bouton gauche :\tcliquer pour sélectionner des atomes, des résidus ou des " #~ "fragments.\n" #~ "\tGlisser-déposer pour sélectionner un ensemble d'atomes.\n" #~ "Bouton droit :\tcliquer dans un espace vide pour annuler la sélection.\n" #~ "Utiliser la touche Ctrl pour inverser la sélection et la touche majuscule " #~ "pour y en ajouter.\n" #~ "Double-clic :\tsélectionner tout un fragment." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Outil de Templates\n" #~ "\n" #~ "Insérer des fragments, y compris des centres métalliques.\n" #~ "Sélectionnez un élément et la géométrie de coordination, puis cliquez " #~ "pour insérer un fragment.\n" #~ "\n" #~ "Sélectionnez un groupe ligand ou fonctionnel et cliquez sur un atome " #~ "d'hydrogène pour l'attacher." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Outil de manipulation\n" #~ "\n" #~ "Bouton gauche :\tcliquer et glisser-déposer pour déplacer des atomes.\n" #~ "Bouton droit :\tcliquer et glisser-déposer pour effectuer une rotation " #~ "des atomes sélectionnés.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "" #~ "Affichage simple des sphères van der Waals avec une occlusion ambiante." #~ msgid "Geometry" #~ msgstr "Géométrie" #~ msgid "Add Unit Cell" #~ msgstr "Ajouter une maille" #~ msgid "By Atomic Index" #~ msgstr "Par indice d'atome" #~ msgid "By Distance" #~ msgstr "Par distance" #~ msgid "Select Water…" #~ msgstr "Sélectionner d'eau…" #~ msgid "&Copy" #~ msgstr "&Copier" #~ msgid "Molecule Name:" #~ msgstr "Nom de la molécule :" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Masse moléculaire (g/mol) :" #~ msgid "Chemical Formula:" #~ msgstr "Formule chimique :" #~ msgid "Number of Atoms:" #~ msgstr "Nombre d'atomes :" #~ msgid "Number of Bonds:" #~ msgstr "Nombre de liaisons :" #~ msgid "TODO" #~ msgstr "À FAIRE" #~ msgid "Line Size:" #~ msgstr "largeur de ligne :" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "Él." #~ msgid "El.&No." #~ msgstr "Él.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "Fichier d'entrée APBS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Sélectionnez l'interpréteur Python utilisé pour exécuter les programmes " #~ "de génération des données d'entrées.\n" #~ "Avogadro doit être redémarré pour que les changements prennent effet." #~ msgid "Set Python Path…" #~ msgstr "Définir le chemin d'accès à python…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Fonctionnel" #~ msgid "Help..." #~ msgstr "Aide..." #~ msgid "Submit Calculation..." #~ msgstr "Soumettre calcul..." #~ msgid "Save File..." #~ msgstr "Enregistrer le fichier..." #~ msgid "Download Plugins..." #~ msgstr "Télécharger des greffons..." #~ msgid "Record Movie..." #~ msgstr "Enregistrer vidéo..." #~ msgid "Other..." #~ msgstr "Autre..." #~ msgid "S&erver" #~ msgstr "S&erveur" #~ msgid "Connection failed" #~ msgstr "Échec de la connexion" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Échec de connexion avec : %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Client serveur" #~ msgid "Connection refused" #~ msgstr "Refus de la connexion" #~ msgid "Filename" #~ msgstr "Nom du fichier" #~ msgid "Formula" #~ msgstr "Formule" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Ouvrir le fichier" #~ msgid "Server settings" #~ msgstr "Préférences du serveur" #~ msgid "&Hostname:" #~ msgstr "&Hôte :" #~ msgid "Port" #~ msgstr "Port" #~ msgid "Test C&onnection..." #~ msgstr "Tester la &connexion..." #~ msgid "Look in:" #~ msgstr "Regarder :" #~ msgid "Navigate Back" #~ msgstr "Naviguer en arrière" #~ msgid "Navigate Forward" #~ msgstr "Naviguer en avant" #~ msgid "File name:" #~ msgstr "Nom de fichier :" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "Clé de l'API :" #~ msgid "Base URL:" #~ msgstr "URL de base :" #~ msgid "Config" #~ msgstr "Configuration" #~ msgid "Upload" #~ msgstr "Envoi" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Singularité" #~ msgid "Container:" #~ msgstr "Conteneur :" #~ msgid "Image:" #~ msgstr "Image :" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "Input Parameters:" #~ msgstr "Paramètres d'entrée :" #~ msgid "Element & Ordinal" #~ msgstr "Élément & Ordinal" #~ msgid "All files (*);;" #~ msgstr "Tous les fichiers (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhomboédrique" #~ msgid "Layer" #~ msgstr "Calque" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molécule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Pas de molécule définie" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1 : Ce fichier existe déjà et n'est pas inscriptible." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Ajouter les hydrogènes selon le pH..." #~ msgid "Atom Properties..." #~ msgstr "Propriétés des atomes..." #~ msgid "Bond Properties..." #~ msgstr "Propriétés des liaisons..." #~ msgid "Angle Properties..." #~ msgstr "Propriétés des angles..." #~ msgid "Torsion Properties..." #~ msgstr "Propriétés de torsion..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propriétés de la molécule..." #~ msgid "Create Surfaces..." #~ msgstr "Générer les surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symétrie" #~ msgid "Insert Fragment..." #~ msgstr "Insérer un fragment..." #~ msgid "Theory:" #~ msgstr "Théorie :" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2) : %L1 %2" #~ msgid "Rotatable" #~ msgstr "Tournable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformère %1\n" #~ "Distance %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformère %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformère %1\n" #~ "Dièdre %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Angle de torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Énergie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Oui" #~ msgid "No" #~ msgstr "Non" #, fuzzy #~ msgid "Import" #~ msgstr "Importer" #~ msgid "Insert SMILES" #~ msgstr "Insérer un SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insérer un fragment SMILES :" #~ msgid "Insert Crystal" #~ msgstr "Ajouter un cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insérer des fragments moléculaires pour construire de plus grandes " #~ "molécules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Propriétés de symétrie..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimisation de la géométrie" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimisation de la géométrie" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Ajouter les hydrogènes" #, fuzzy #~ msgid "Stopped" #~ msgstr "Arrêter" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colorier selon l'indice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colorier selon l'indice (rouge, orange, jaune, vert, bleu, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colorier selon la charge partielle" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Colorier selon la charge atomique partielle (bleu = positive, rouge = " #~ "négative)." #~ msgid "Custom Color:" #~ msgstr "Couleur personnalisée :" #~ msgid "Set custom colors for objects" #~ msgstr "Définir les couleurs personnalisées des objets" #~ msgid "Color by Distance" #~ msgstr "Colorier selon la distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colorier selon la distance au premier atome" #~ msgid "Color by Element" #~ msgstr "Colorier selon l'élément" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colorier selon l'élément (carbone = gris, oxygène = rouge, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colorier selon le résidu (type d'amino-acide, hydrophobie, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Structure SMARTS :" #~ msgid "Highlight Color:" #~ msgstr "Couleur de sélection :" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colorier par structure SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Mettre en surbrillance les motifs qui correspondent à une structure " #~ "SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Moteurs" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Affiche les axes x, y et z à l'origine" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Affiche les primitives avec des boules (atomes) et des bâtonnets " #~ "(liaisons)." #~ msgid "Dipole" #~ msgstr "Dipôle" #~ msgid "Hydrogen Bond" #~ msgstr "Liaison hydrogène" #~ msgid "Renders hydrogen bonds" #~ msgstr "Affiche les liaisons hydrogène" #~ msgid "Select Atom Labels Color" #~ msgstr "Choisir la couleur des étiquettes des atomes" #~ msgid "Select Bond Labels Color" #~ msgstr "Choisir la couleur des étiquettes des liaisons" #~ msgid "Select Bond Labels Font" #~ msgstr "Choisir la police de caractères des étiquettes des liaisons" #~ msgid "Polygon" #~ msgstr "Polygone" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Affiche les atomes comme tétraèdres, octaèdres, et autres polygones" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Affiche les chaînes protéiques en rubans" #~ msgid "Ring" #~ msgstr "Anneau" #~ msgid "Renders rings with colored planes" #~ msgstr "Affiche les cycles par des plans colorés" #~ msgid "Simple Wireframe" #~ msgstr "Fil de fer" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Affiche des liaisons en fils (lignes), idéal pour de grosses molécules" #~ msgid "Van der Waals Spheres" #~ msgstr "Sphères de van der Waals" #~ msgid "Stick" #~ msgstr "Bâtonnet" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densité électronique, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1,surface iso = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Affiche les liaisons en fil de fer (lignes), idéal pour de très grosses " #~ "(bio)molécules" #~ msgid "Trajectory files" #~ msgstr "Fichiers de trajectoire" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fichiers de l'historique de DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Ouvrir un fichier de trajectoire" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "L'extension .avi sera ajoutée" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Impossible de lire le format du fichier %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "La lecture du fichier de trajectoire %1 a échoué." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Un nom de fichier .avi valide doit être spécifié" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Le widget GL n'a pas été initialisé correctement pour enregistrer une " #~ "vidéo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nom de fichier vidéo invalide. Il doit inclure le nom complet de son " #~ "répertoire." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nom de fichier vidéo invalide. Il doit inclure le nom complet de son " #~ "répertoire et son nom, terminé par .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Impossible de déterminer le format à partir du nom de fichier : %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animation des trajectoires, des réactions et des vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Éditeur cartésien" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Aucune maille conventionnelle n'est définie pour la molécule -- " #~ "impossible d'utiliser des coordonnées fractionnaires." #~ msgid "Cartesian Editor..." #~ msgstr "Éditeur cartésien..." #~ msgid "Cartesian editor" #~ msgstr "Éditeur cartésien" #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'atomes : %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Nombre de liaisons pouvant subir une rotation : %1" #~ msgid "Add constraint" #~ msgstr "Ajouter une contrainte" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins un atome pour pouvoir ajouter une " #~ "contrainte" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins deux atomes pour pouvoir ajouter " #~ "une contrainte de liaison" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins trois atomes pour ajouter une " #~ "contrainte d'angle" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins quatre atomes pour ajouter une " #~ "contrainte de torsion" #~ msgid "&Crystallography" #~ msgstr "&Cristallographie" #~ msgid "&Reduce" #~ msgstr "&Réduire" #~ msgid "&Length Unit" #~ msgstr "&Unités de longueur" #~ msgid "&Angle Unit" #~ msgstr "&Unités d'angle" #~ msgid "&Coordinate Display" #~ msgstr "&Affichage des coordonnées" #~ msgid "Coordinate &Preservation" #~ msgstr "&Préservation des coordonnées" #~ msgid "&Matrix Display" #~ msgstr "&Affichage de matrice" #~ msgid "Hide &Editors" #~ msgstr "Masquer les &éditeurs" #~ msgid "Show &Editors" #~ msgstr "Afficher les &éditeurs" #~ msgid "Hide &Property Display" #~ msgstr "Masquer l'affichage des &propriétés" #~ msgid "Show &Property Display" #~ msgstr "Afficher les &propriétés" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Type de maille : %1" #~ msgid "Spacegroup: %1" #~ msgstr "Groupe d'espace : %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume de maille conventionnelle : %L1%2" #~ msgid "Undefined" #~ msgstr "Indéfini" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinique" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinique" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombique" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Quadratique" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubique" #~ msgid "Paste Crystal" #~ msgstr "Coller un cristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "La réduction de Nigli a échoué. La maille de la structure proposée " #~ "perturbe l'algorithme de réduction de Nigli. Effectuez une petite " #~ "modification (environ 2 ordres de grandeur plus petite que la tolérance) " #~ "aux paramètres et réessayez." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Impossible de réduire cette maille après 1 000 itérations de l'algorithme " #~ "de réduction. Abandon." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Tourner vers l'&orientation standard" #~ msgid "&Slab..." #~ msgstr "&Lame..." #~ msgid "Perceive Space&group..." #~ msgstr "Détecter le &groupe d'espace..." #~ msgid "Set &Spacegroup..." #~ msgstr "Choisir le groupe d'&espace..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Remplir la maille conventionnelle" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "" #~ "&Remplir la maille conventionnelle en utilisant le groupe d'espace actuel" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Réduire à &l'unité asymétrique" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Enlever les atomes qui occupent des positions équivalentes (inverse de " #~ "remplir la maille conventionnelle)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&métriser le cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Réduire la maille (&primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanomètre" #~ msgid "&Picometer" #~ msgstr "&Picomètre" #~ msgid "&Degree" #~ msgstr "&Degré" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Afficher les coordonnées cartésiennes" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Préserver les coordonnées &cartésiennes pendant la modification de la " #~ "maille" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Préserver les coordonnées &fractionnaires pendant la modification de la " #~ "maille" #~ msgid "Display &cartesian matrix" #~ msgstr "Afficher la matrice &cartésienne" #~ msgid "Display &fractional matrix" #~ msgstr "Afficher la matrice &fractionnaire" #~ msgid "Display as &row vectors" #~ msgstr "Afficher en vecteurs &lignes" #~ msgid "Display as &column vectors" #~ msgstr "Afficher en vecteurs &colonnes" #~ msgid "&Crystal View Options..." #~ msgstr "&Options de présentation du cristal..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "Détecter le groupe d'espace %1, symbole de Hall %2, symbole d'Hermann-" #~ "Maugin %3.

La maille peut être symétrisée en orientation " #~ "conventionnelle si vous le souhaitez. Les fonctions qui utilisent la " #~ "symétrie (p. ex. le générateur de maille étendue) le nécessitent." #~ msgid "Set Spacegroup" #~ msgstr "Choisir le groupe d'espace" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Aucun groupe d'espace n'est sélectionné pour ce document.\n" #~ "\n" #~ "Souhaitez-vous en choisir un maintenant ?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Le groupe d'espace P1 a été détecté -- impossible de symétriser dans ce " #~ "groupe d'espace.\n" #~ "\n" #~ "Souhaitez-vous réessayer avec une tolérance différente ?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symétriser le cristal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Regrouper les atomes dans la maille" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Réduire à une maille de Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Choisir la tolérance en unités cartésiennes actuelles :" #~ msgid "Crystallography" #~ msgstr "Cristallographie" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construire et analyser des structures périodiques." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Le fichier d'entrée n'est pas formaté dans un\n" #~ "des formats pris en charge suivant :\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Format VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Mauvaise composition" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Le champ des identités doit contenir le même nombre d'entrées séparées " #~ "par des espaces que dans la ligne 6 du fichier POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Coordonnées cartésiennes" #~ msgid "Fractional Coordinates" #~ msgstr "Coordonnées fractionnaires" #~ msgid "Set Fractional Coordinates" #~ msgstr "Appliquer des coordonnées fractionnaires" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrice de la maille (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Définir la matrice de maille conventionnelle" #~ msgid "Set Unit Cell Params" #~ msgstr "Définir les paramètres de maille conventionnelle" #~ msgid "Working..." #~ msgstr "Traitement..." #~ msgid "Build" #~ msgstr "Générer" #~ msgid "Cut Slab From Crystal" #~ msgstr "Couper une lame dans le cristal" #~ msgid "No GLWidget?" #~ msgstr "Aucun GLWidget ?" #~ msgid "Please select one or more atoms." #~ msgstr "Merci de sélectionner un ou des atomes" #~ msgid "Trajectory..." #~ msgstr "Trajectoire..." #~ msgid "Open chemical file format" #~ msgstr "Ouvrir un fichier au format de chimie" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fichiers de chimie (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Ouvrir un fichier de paramètres" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fichiers de chimie (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importer une trajectoire" #~ msgid "Import trajectory files" #~ msgstr "Importer les fichiers de trajectoire" #~ msgid "Calculate Energy" #~ msgstr "Calculer l'énergie" #~ msgid "Conformer Search..." #~ msgstr "Recherche de conformères..." #~ msgid "Constraints..." #~ msgstr "Contraintes..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Échec de la configuration du champ de force pour cette molécule. Basculer " #~ "en UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimisation géométrique" #~ msgid "Systematic Rotor Search" #~ msgstr "Recherche systématique de rotor" #~ msgid "Random Rotor Search" #~ msgstr "Recherche aléatoire de rotor" #~ msgid "Weighted Rotor Search" #~ msgstr "Recherche pondérée de rotor" #~ msgid "Genetic Algorithm Search" #~ msgstr "Algorithme de recherche génétique" #~ msgid "ForceField" #~ msgstr "Champ de force" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiser la géométrie moléculaire et générer les conformères à l'aide " #~ "des champs de force de la mécanique moléculaire" #~ msgid "&Vector Graphics..." #~ msgstr "&Graphismes vectoriels..." #~ msgid "Common vector image formats" #~ msgstr "Format d'image vectorielle usuel" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportation des graphismes vectoriels" #~ msgid "Change H to Methyl" #~ msgstr "Changer H en Méthyl" #~ msgid "H to Methyl" #~ msgstr "Changer H en Méthyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformer les hydrogènes en méthyles" #~ msgid "Add or remove hydrogens" #~ msgstr "Ajouter ou enlever les hydrogènes" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insérer une chaîne d'ADN/ARN" #~ msgid "Peptide..." #~ msgstr "Peptides..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insérer des séquences d'oligopeptide" #~ msgid "Invert Chirality" #~ msgstr "Inverser la chiralité" #~ msgid "InvertChiral" #~ msgstr "InverseChiral" #~ msgid "Invert chiral centers" #~ msgstr "Inverser les centres chiraux" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "inconnu" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Moment dipolaire estimé (D) :" #~ msgid "Display standard molecular properties." #~ msgstr "Afficher les propriétés moléculaires standards." #~ msgid "Fetch by chemical name..." #~ msgstr "Télécharger par nom chimique..." #~ msgid "Fetch from URL..." #~ msgstr "Récupération depuis l'URL..." #~ msgid "PDB Entry" #~ msgstr "Entrée PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrée PDB à télécharger" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL de la molécule à télécharger." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molécule spécifiée n'a pas pu être chargée : %1" #~ msgid "Network Fetch" #~ msgstr "Recherche réseau" #~ msgid "Fetch molecule files over the network." #~ msgstr "Rechercher les fichiers de molécule sur le réseau" #~ msgid "OrcaExtension Warning" #~ msgstr "Avertissement de l'extension Orca" #~ msgid "OrcaExtension" #~ msgstr "Extension Orca" #~ msgid " No vibration data found!" #~ msgstr " Aucune donnée vibrationnelle n'a été trouvée !" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Aucune donnée vibrationnelle n'a été trouvée ou la molécule a été " #~ "modifiée hors du greffon Orca !" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "" #~ "Les données de déplacement sélectionnées ne correspondent pas à la " #~ "molécule actuelle !" #~ msgid "extended Geometry File" #~ msgstr "Fichier de géométrie étendue" #~ msgid "Read Orca Outputfile" #~ msgstr "Lire le fichier de résultat d'Orca" #~ msgid "no file found" #~ msgstr "Aucun fichier n'a été trouvé" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Quelque chose ne va pas dans le fichier de structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "" #~ "Quelque chose ne va pas dans le fichier structure-mailles conventionnelles" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Quelque chose ne va pas dans le fichier de sortie IR ! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Quelque chose ne va pas dans le fichier de sortie raman ! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "" #~ "Quelque chose ne va pas dans le fichier de sortie d'énergie des " #~ "orbitales ! " #~ msgid "No geometry found in file!" #~ msgstr "Aucun fichier de géométrie n' été trouvé !" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "La molécule du fichier ne correspond pas à la structure actuelle de la " #~ "molécule ! \n" #~ " Souhaitez-vous remplacer la molécule actuelle ?" #~ msgid "Could not read file!" #~ msgstr "Impossible de lire le fichier !" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyser le fichier de résultat d'Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Exemple test d'Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Fournit une boîte de dialogue avec les mots « H... »." #~ msgid "ORCA Input Deck" #~ msgstr "Données d'entrée d'Orca" #~ msgid "Show Preview" #~ msgstr "Afficher l'aperçu" #~ msgid "Hide Preview" #~ msgstr "Masquer l'aperçu" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "" #~ "L'option RijCosX n'est pas disponible pour la fonctionnelle sélectionnée !" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX n'est pas disponible pour la fonctionnelle sélectionnée ! \n" #~ "Réinitialisation de l'option RijCosX !" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Des modifications non sauvegardées ont été effectuées dans la " #~ "prévisualisation actuelle ! \n" #~ " La génération d'une nouvelle prévisualisation entraînera leur " #~ "suppression ! \n" #~ " Souhaitez-vous passer outre ?" #~ msgid "Intensities" #~ msgstr "Intensités" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::aucune donnée vibrationnelle n' été trouvée !" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Enregistrer l'image POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fichier d'images (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Aucun nom de fichier valide n'est fourni." #~ msgid "Does not compute." #~ msgstr "Erreur de calcul." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Vous n'avez pas demandé de rendu direct avec POV-Ray, ni enregistré le " #~ "fichier POV-Ray. Êtes-vous certain de vouloir poursuivre ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Impossible d'enregistrer le fichier %1. Avez-vous les permissions " #~ "d'écriture à cet endroit ?" #~ msgid "POV-Ray failed to start." #~ msgstr "Erreur de lancement de POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray ne se lance pas. Il y a peut-être une erreur dans le chemin de " #~ "l'exécutable." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Générer les fichiers POV-Ray et les afficher en utilisant la ligne de " #~ "commande du programme POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propriétés des conformères..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal de script python interactif" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Avertissement de générateur de fichier de données Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Abinit ?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Fichier_de_données_Abinit" #~ msgid "Abinit Running." #~ msgstr "Calcul Abinit en cours" #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit est en cours d'exécution. Veuillez attendre que le calcul " #~ "précédent soit terminé." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit n'est pas installé." #~ msgid "The abinit executable cannot be found." #~ msgstr "Impossible de trouver l'exécutable abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "abinit n'a pas démarré. Il n'est peut-être pas correctement installé." #~ msgid "Running Abinit calculation..." #~ msgstr "Calcul Abinit en cours..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit ne s'est pas exécuté correctement. Il n'est peut-être pas " #~ "correctement installé." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Dalton ?" #~ msgid "QM Matches" #~ msgstr "Résultats MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Sélection PEF..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Sélection MQ..." #~ msgid "You must make a selection!" #~ msgstr "Vous devez effectuer une sélection !" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversion SMILES non disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversion de format SMILES non disponible !" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "pfe" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Créer les fichiers d'entrée pour GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Paramètres avancés modifiés" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Les paramètres avancés ont changé.\n" #~ "Réinitialiser ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Réinitialiser les paramètes avancés" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Êtes-vous sûr de vouloir réinitialiser les paramètres avancés ?\n" #~ "Tous les changements seront perdus !" #~ msgid "Basic Settings Reset" #~ msgstr "Réinitialiser les paramètes élémentaires" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Êtes-vous sûr de vouloir réinitialiser les paramètres élémentaires ?\n" #~ "Tous les changements seront perdus !" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données de GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier de données de GAMESS-UK ?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Fichier de données GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Gaussian" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Gaussian ?" #~ msgid "Gaussian Input Deck" #~ msgstr "Fichier de données Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Calcul Gaussian en cours." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Un calcul Gaussian est déjà en cours. Attendez que le calcul précédent " #~ "soit terminé." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian n'est pas installé." #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'exécutable GO3 n'a pas été trouvé." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 n'a pas démarré. Il n'est peut être pas correctement installé." #~ msgid "Running Gaussian calculation..." #~ msgstr "Calcul Gaussian en cours..." #~ msgid "G03 Crashed." #~ msgstr "G03 s'est planté." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian n'a pas fonctionné correctement. Il n'est peut être pas " #~ "correctement installé." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWCHEM..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Molpro" #~ msgid "Molpro Input Deck" #~ msgstr "Fichier de données Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avertissement du générateur de fichier de données MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Fichier de données MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Calcul MOPAC en cours." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Il y a déjà un calcul MOPAC en cours. Attendez que le calcul précédent " #~ "soit terminé." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC n'est pas installé." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Impossible de trouver l'exécutable de MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC ne démarre pas." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC n'a pas démarré. Il est peut-être mal installé." #~ msgid "Running MOPAC calculation..." #~ msgstr "Calcul MOPAC en cours..." #~ msgid "MOPAC Crashed." #~ msgstr "Plantage de MOPAC." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC n'a pas fonctionné correctement. Il n'est peut-être pas " #~ "correctement installé." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de NWChem ?" #~ msgid "NWChem Input Deck" #~ msgstr "Fichier de données NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant tous les " #~ "changements apportés dans le panneau de pré-visualisation de Psi4 ?" #~ msgid "Psi4 Input Deck" #~ msgstr "Fichier de données Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Q-Chem ?" #~ msgid "QChem Input Deck" #~ msgstr "Fichier de données Q-Chem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données de TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier de données de TeraChem ?" #~ msgid "TeraChem Input Deck" #~ msgstr "Fichier de données TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Sélectionner SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Ajouter une sélection nommée..." #~ msgid "SMARTS Selection" #~ msgstr "Sélection SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Motif SMARTS à sélectionner" #~ msgid "There is no current selection." #~ msgstr "Il n'y actuellement aucune sélection." #~ msgid "Add Named Selection" #~ msgstr "Ajouter une sélection nommée" #~ msgid "Name cannot be empty." #~ msgstr "Le nom ne peut pas être laisser vide." #~ msgid "There is already a selection with this name." #~ msgstr "Il y a une sélection qui porte le même nom." #~ msgid "Selections" #~ msgstr "Sélections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Sélection d'atome, liaisons, résidus..." #~ msgid "GLSL Shaders..." #~ msgstr "Textures GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Ouvrir un fichier source de texture vertex" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fichiers d'ombrage de sommet (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Ouvrir un fichier souce d'ombrage de fragment" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fichiers d'ombrage de fragment (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Ouvrir un fichier de paramètres d'ombrage" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fichiers de paramètres d'ombrage (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Ombrages GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Charger et utiliser les ombrages GLSL OpenGL2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensité (unités arb.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densité d'états (états/maille)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densité d'états (états/atome)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densité d'états (états/électron de valence)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "Aucune intensité" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Les données vibrationelles de la molécule que vous avez lue ne " #~ "contiennent pas de données d'intensité. Les intensités ont été mises à " #~ "une valeur arbitraite pour leur visualisation." #~ msgid "Activity" #~ msgstr "Activité" #~ msgid "X Axis" #~ msgstr "Axe X" #~ msgid "Y Axis" #~ msgstr "Axe Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Paramètres du spectre infrarouge" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "&Paramètres des spectres RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DEE" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&Paramètres UV" #~ msgid "&CD Settings" #~ msgstr "&Paramètres DC" #~ msgid "&Raman Settings" #~ msgstr "&Paramètres Raman" #~ msgid "No data" #~ msgstr "Aucune donnée" #~ msgid "Dark" #~ msgstr "Sombre" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Dessiné à main levée" #~ msgid "New Scheme" #~ msgstr "Nouveau projet" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirmer le retrait du projet" #~ msgid "Really remove current scheme?" #~ msgstr "Réellement détruire le projet actuel ?" #~ msgid "Change Scheme Name" #~ msgstr "Modifier le nom du projet" #~ msgid "Enter new name for current scheme:" #~ msgstr "Saisissez le nouveau nom du projet :" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valeurs séparées par des tabulations (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valeurs séparées par des tabulations" #~ msgid "Comma Separated Values" #~ msgstr "Valeurs séparées par des virgules" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Importation de spectres" #~ msgid "Unknown extension: %1" #~ msgstr "Extension inconnue : %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Données IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Données IR Turbomole (contrôle)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Données UV de Turbomole (spectre)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Données DC de Turbomole (spectredc)" #~ msgid "Data Format" #~ msgstr "Format des données" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format :" #~ msgid "Load Spectral Data" #~ msgstr "Lire les données spectrales" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Le fichier DC de Trubomole n'est pas correctement formaté : %1" #~ msgid "Portable Network Graphics" #~ msgstr "png" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "tiff" #~ msgid "Windows Bitmap" #~ msgstr "bmp" #~ msgid "Portable Pixmap" #~ msgstr "ppm" #~ msgid "X11 Bitmap" #~ msgstr "xbm" #~ msgid "X11 Pixmap" #~ msgstr "xpm" #~ msgid "Save Spectra Image" #~ msgstr "Enregistrer le spectre" #~ msgid "Image successfully written to %1" #~ msgstr "L'image a été enregistrée avec succès dans %1" #~ msgid "&Advanced <<" #~ msgstr "&Avancés >>" #~ msgid "&Advanced >>" #~ msgstr "&Avancés >>" #~ msgid "&Spectra..." #~ msgstr "&Spectres..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiser les données spectrales de calculs de chimie quantique" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analyse vibrationnelle" #~ msgid "No vibrational displacements exist." #~ msgstr "Aucun déplacement de fréquence n'existe." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualiser les fréquences pour les calculs de chimie quantique" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Trie de %1 vibrations par fréquences..." #~ msgid "Super Cell Builder..." #~ msgstr "Générateur de maille étendue..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Ce document contient une molécule isolée. Vous devez créer une maille " #~ "conventionnelle." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Construire et afficher des mailles cristallographiques étendues" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitales moléculaires..." #~ msgid "Orbitals" #~ msgstr "Orbitales" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Vide" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densité électronique" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Erreur - type non défini" #~ msgid "Calculating VdW Cube" #~ msgstr "Calcul d'un cube WdW en cours" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calcul de l'OM %L1 en cours" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Les surfaces de potentiel électrostatique ne sont pas encore prises en " #~ "charge." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculer les orbitales moléculaires et d'autres surfces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Générateur de nanotube..." #~ msgid "Nanotube Builder" #~ msgstr "Générateur de nanotube" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Spécification de nanotube invalide" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Le nanotube demandé ne peut pas être construit pour la raison suivante ;\n" #~ "Soit n, soit m doit être plus grand que 1." #~ msgid "Insert Nanotube" #~ msgstr "Insérer un nanotube" #~ msgid "SWCNT Builder" #~ msgstr "Générateur SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construire des nanotubes à simple paroi." #~ msgid "Building..." #~ msgstr "Génération..." #~ msgid "Display point group symmetry." #~ msgstr "Afficher la symétrie du groupe ponctuel." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Le widget GL n'est pas correctement initialisé pour permettre la " #~ "réalisation d'une vidéo" #~ msgid "GL widget has no molecule" #~ msgstr "Le widget GL ne contient pas de molécule" #~ msgid "Building video " #~ msgstr "Génération de la vidéo " #~ msgid "Could not run mencoder." #~ msgstr "Impossible de lancer memcoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Choisir le rapport largeur/hauteur" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "La vue courante d'Avogadro mesure %1x%2 pixels, et a donc un rapport " #~ "largeur/hauteur égal à %3.\n" #~ "Vous pouvez conserver cette valeur, par exemple si vous voulez utiliser " #~ "POV-Ray\n" #~ "pour produire une image de %4x1000 pixels, ou bien vous pouvez entrer " #~ "toute autre valeur positive,\n" #~ "par exemple 1 si vous voulez utiliser POV-Ray pour produire une image " #~ "carrée, par exemple de 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Enregistrer les fichiers de rendu VRML" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connecter" #~ msgid "Disconnect" #~ msgstr "Déconnecter" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Suivi Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Suivre les mouvements à l'aide de la télécommande Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexte OpenGL invalide.\n" #~ "Soit quelque chose ne va pas du tout dans votre configuration OpenGL " #~ "(pouvez-vous exécuter n'importe quelle application OpenGL ?), soit vous " #~ "avez trouvé un bogue." #~ msgid "Debug Information" #~ msgstr "Informations de débogage" #~ msgid "FPS: %L1" #~ msgstr "FPS : %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Taille de la vue : %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 1 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 2 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 3 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 4 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomes : %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMOL : indice %1 hors d'atteinte." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "La lecture de fichier du type « %1 » n'est pas prise en charge." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "La lecture de fichier du type « %1  n'est pas prise en charge." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "La lecture de la molécule d'indice %1 du fichier « %2 » a échoué." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Remplacer la molécule : l'indice %1 est hors d'atteinte" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "L'écriture de fichier de type « %1 » n'est pas prise en charge." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "L'écriture de fichier de type « %1 » n'est pas prise en charge." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Impossible d'ouvrir le fichier « %1 » en lecture." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "Le remplacement de la molécule d'indice %1 dans le fichier « %2 » a " #~ "échoué." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Le fichier %1 ne peut pas être ouvert en lecture." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Le fichier %1 n'a pas pu être ouvert en écriture." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "L'enregistrement du fichier moléculaire a échoué - impossible de renommer " #~ "le fichier original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "L'enregistrement du fichier moléculaire a échoué - impossible de renommer " #~ "le fichier original." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "L'enregistrement du fichier moléculaire a échoué - impossible de détruire " #~ "l'ancien fichier." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "L'enregistrement d'une molécule dans le fichier « %1 » a échoué. Erreur " #~ "d'une fonction d'OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Le fichier %1 ne peut pas être ouvert en écriture." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "L'enregistrement des conformères dans le fichier « %1 » a échoué." #~ msgid "Molecule %1" #~ msgstr "Molécule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Moteur Python inconnu" #~ msgid "N/A" #~ msgstr "N/D" #~ msgid "PythonEngine: checking " #~ msgstr "Moteur Python : vérification " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - aucune classe « Moteur » n'est définie pour le script" #~ msgid " - no module" #~ msgstr " - pas de module" #~ msgid "Unknown Python Extension" #~ msgstr "Extension Python inconnue" #~ msgid "PythonExtension: checking " #~ msgstr "Extension Python : vérification " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - aucune classe « Extension » n'est définie pour le script" #~ msgid "Unknown Python Tool" #~ msgstr "Outil Python inconnu" #~ msgid "PythonTool: checking " #~ msgstr "Outil Python : vérification " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " -aucune classe « Outil » n'est définie pour le script" #~ msgid "Conformer %1" #~ msgstr "Conformère %1" #~ msgid "Tools" #~ msgstr "Outils" #~ msgid "Align:" #~ msgstr "Aligner :" #~ msgid "Everything" #~ msgstr "Tout" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Outil d'optimisation automatique\n" #~ "\n" #~ "Fonction de navigation lors d'un clic dans un espace vide.\n" #~ "Bouton gauche :\trotation\n" #~ "Bouton central :\tzoom\n" #~ "Bouton droit :\ttranslation\n" #~ "Double clic :\tréinitialisation\n" #~ "\n" #~ "Lors d'un glissement :\n" #~ "Bouton gauche :\tCliquer sur les atomes et glisser-déposer pour les " #~ "déplacer" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Auto-optimisation : impossible de configurer le champ de force...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt : E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Nombre de contraintes : %1" #~ msgid "Steps per Update:" #~ msgstr "Nombre d'étapes avant d'actualiser :" #~ msgid "Algorithm:" #~ msgstr "Algorithme :" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dynamique moléculaire (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dynamique moléculaire (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Les atomes fixés sont déplaçables" #~ msgid "Ignored atoms are movable" #~ msgstr "Les atomes ignorés sont déplaçables" #~ msgid "AutoOpt Molecule" #~ msgstr "Auto-optimiser molécule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimisation automatique de la géométrie moléculaire" #~ msgid "AutoOptimization Settings" #~ msgstr "Paramètres d'optimisation automatique" #~ msgid "Auto Rotation Tool" #~ msgstr "Outil de rotation automatique" #~ msgid "x rotation:" #~ msgstr "rotation x :" #~ msgid "x rotation" #~ msgstr "rotation x" #~ msgid "y rotation:" #~ msgstr "rotation y :" #~ msgid "y rotation" #~ msgstr "rotation y" #~ msgid "z rotation:" #~ msgstr "rotation z :" #~ msgid "z rotation" #~ msgstr "rotation z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotation automatique de molécules" #~ msgid "AutoRotate Settings" #~ msgstr "Paramètres de rotation automatique" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longueur de liaison : %L1" #~ msgid " Show Angles" #~ msgstr " Afficher les angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Seuil d'ajustement : " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipulation des liaisons" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "" #~ "Manipulation des distances de liaison, des angles et des angles de torsion" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Paramètres de manipulation centrée sur les liaisons" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3) : %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4) : %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdre : %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s) :" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mesurer des distances de liaison, des angles et des angles dièdres" #~ msgid "Draw Bond" #~ msgstr "Dessiner une liaison" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dessiner et éditer des atomes et des liaisons" #~ msgid "Draw Settings" #~ msgstr "Paramètres de dessin" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Déplacer, tourner et ajuster des atomes et des fragments" #~ msgid "Manipulate Settings" #~ msgstr "Paramètres de manipulation" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Déplacer, tourner et zoomer la vue actuelle" #~ msgid "Navigate Settings" #~ msgstr "Paramètres de navigation" #~ msgid "Selection Mode:" #~ msgstr "Mode de sélection :" #~ msgid "Atom/Bond" #~ msgstr "Atome/Liaison" #~ msgid "Residue" #~ msgstr "Résidu" #~ msgid "Add Center of Atoms" #~ msgstr "Ajouter le centroïde" #~ msgid "Change color of the atom" #~ msgstr "Modifier la couleur de l'atome" #~ msgid "Change label of the atom" #~ msgstr "Modifier l'étiquette de l'atome" #~ msgid "Change label of the bond" #~ msgstr "Modifier l'étiquette de la liaison" #~ msgid "Change radius of the atom" #~ msgstr "Modifier le rayon de l'atome" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nouveau rayon, %1 :" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Sélectionner des atomes, des résidus et des molécules" #~ msgid "Symbol" #~ msgstr "Symbole" #~ msgid "Bond Length" #~ msgstr "Longueur de la liaison" #~ msgid "Dihedral Angle" #~ msgstr "Angle dièdre" #~ msgid "Z Matrix Editor..." #~ msgstr "Éditeur de matrice Z..." #~ msgid "Z-Matrix" #~ msgstr "Matrice Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Créer/éditer une matrice Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Paramètres de matrice Z" #~ msgid "Color residues by:" #~ msgstr "Colorer les résidus selon :" #~ msgid "Amino Colors" #~ msgstr "Couleurs des acides aminés" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobie" #~ msgid "Axes:" #~ msgstr "Axes :" #~ msgid "Cartesian Axes" #~ msgstr "Axes cartésiens" #~ msgid "Orthogonal Axes" #~ msgstr "Axes orthogonaux" #~ msgid "Axis 1:" #~ msgstr "Axe 1 :" #~ msgid "Axis 2:" #~ msgstr "Axe 2 :" #~ msgid "Axis 3:" #~ msgstr "Axe 3 :" #~ msgid "Origin:" #~ msgstr "Origine :" #~ msgid "Norm" #~ msgstr "Norme" #~ msgid "Preserve vector norms" #~ msgstr "Préserver la norme des vecteurs" #~ msgid "Atom Radius:" #~ msgstr "Rayons de l'atome :" #~ msgid "Bond Radius:" #~ msgstr "Rayon de la liaison :" #~ msgid "Shape" #~ msgstr "Forme" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Boucle" #~ msgid "Dipole:" #~ msgstr "Dipôle :" #~ msgid "Custom Vector" #~ msgstr "Vecteur personnalisé" #~ msgid "Custom:" #~ msgstr "Personnaliser :" #~ msgid "Width:" #~ msgstr "Largeur :" #~ msgid "Cut-off radius:" #~ msgstr "Rayon de coupe :" #~ msgid "Cut-off angle:" #~ msgstr "Angle de coupe :" #~ msgid "Rendering Engine:" #~ msgstr "Moteur de rendu :" #~ msgid "TextRenderer" #~ msgstr "Rendu textuel" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Texte :" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbole et numéro dans le groupe" #~ msgid "Symbol & Atom number" #~ msgstr "Symbole & numéro d'atome" #~ msgid "Partial charge" #~ msgstr "Charge partielle" #~ msgid "Residue number" #~ msgstr "Numéro du résidu" #~ msgid "Custom data" #~ msgstr "Données personnalisées" #~ msgid "Change Font" #~ msgstr "Modifier la police de caractères" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Décalage des étiquettes :" #~ msgid "Bond length" #~ msgstr "Longueur de la liaison" #~ msgid "Bond number" #~ msgstr "Numéro de liaison" #~ msgid "Bond order" #~ msgstr "Multiplicité de la liaison" #~ msgid "Lines" #~ msgstr "Lignes" #~ msgid "Radius:" #~ msgstr "Rayon :" #~ msgid "Include Nitrogens" #~ msgstr "Inclure les azotes" #~ msgid "VdW Opacity:" #~ msgstr "Opacité VdW :" #~ msgid "Orbital:" #~ msgstr "Orbitale :" #~ msgid "Render:" #~ msgstr "Rendu :" #~ msgid "Fill" #~ msgstr "Remplissage" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Boîte de dessin :" #~ msgid "Mapped Colors" #~ msgstr "Mappage de couleurs" #~ msgid "Positive" #~ msgstr "Positif" #~ msgid "Negative" #~ msgstr "Négatif" #~ msgid "Show Atoms" #~ msgstr "Afficher les atomes" #~ msgid "Animate Trajectory" #~ msgstr "Trajectoire d'animation" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Boucle" #~ msgid "Save as .avi..." #~ msgstr "Enregistrer en .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractionnaire" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, uniquement coordonnées" #~ msgid "GAMESS Input #2" #~ msgstr "Entrée GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrée Priroda" #~ msgid "Apply Changes" #~ msgstr "Appliquer les modifications" #~ msgid "Cut All" #~ msgstr "Tout couper" #~ msgid "Paste to the End" #~ msgstr "Coller à la fin" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Coller ou éditer ici " #~ "des coordonnées atomiques. Vous pouvez coller presque n'importe quel " #~ "portion de texte contenant des coordonnées.

" #~ msgid "(None)" #~ msgstr "(Aucun)" #~ msgid "Sort by " #~ msgstr "Trier selon " #~ msgid "Number of atoms:" #~ msgstr "Nombre d'atomes :" #~ msgid "Number of rotatable bonds:" #~ msgstr "Nombre de liaisons pouvant subir une rotation :" #~ msgid "Ignore Atom" #~ msgstr "Ignorer l'atome" #~ msgid "Fix Atom" #~ msgstr "Fixer l'atome" #~ msgid "Fix Atom X" #~ msgstr "Fixer l'atome X" #~ msgid "Fix Atom Y" #~ msgstr "Fixer l'atome Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixer l'atome Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsion" #~ msgid "Save" #~ msgstr "Enregistrer" #~ msgid "Load" #~ msgstr "Ouvrir" #~ msgid "Atomic &identites:" #~ msgstr "&Identités atomiques :" #~ msgid "Surface Slab Builder" #~ msgstr "Générateur de couche superficielle" #~ msgid "Plane:" #~ msgstr "Plan :" #~ msgid "&Miller Indices:" #~ msgstr "&Indices de Miller" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Attention : utiliser des indices de Miller diiférents de zéro" #~ msgid "Width (x)" #~ msgstr "Largeur (x)" #~ msgid "Width (y)" #~ msgstr "Largeur (y)" #~ msgid "Height (z)" #~ msgstr "Hauteur (z)" #~ msgid "length" #~ msgstr "longueur" #~ msgid "cell repeats" #~ msgstr "Répétitions de la maille" #~ msgid "&Translate " #~ msgstr "&Déplacer " #~ msgid "by arbitrary vector" #~ msgstr "selon un vecteur arbitraire" #~ msgid "selected atom to unit cell center" #~ msgstr "L'atome sélectionné au centre de la maille conventionnelle" #~ msgid "Translation vector:" #~ msgstr "Vecteur de translation :" #~ msgid "&X:" #~ msgstr "&X :" #~ msgid "&Y:" #~ msgstr "&Y :" #~ msgid "&Z:" #~ msgstr "&Z :" #~ msgid "&Vector units:" #~ msgstr "&Unités du vecteur :" #~ msgid "Cartesian" #~ msgstr "Cartésien" #~ msgid "&Translate" #~ msgstr "&Déplacer" #~ msgid "Crystal View Options" #~ msgstr "Options de présentation du cristal" #~ msgid "Unit Cell Repeats:" #~ msgstr "Répétitions de la maille conventionnelle :" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Dessiner la(les) maille(s) conventionnelle(s) ?" #~ msgid "One" #~ msgstr "Une" #~ msgid "All" #~ msgstr "Tout" #~ msgid "Color..." #~ msgstr "Couleur..." #~ msgid "View Along:" #~ msgstr "Voir le long de :" #~ msgid "Default View" #~ msgstr "Vue par défaut" #~ msgid "h: " #~ msgstr "h : " #~ msgid "k: " #~ msgstr "k : " #~ msgid "i: " #~ msgstr "i : " #~ msgid "l: " #~ msgstr "l : " #~ msgid "Miller Indices" #~ msgstr "Indices de Miller" #~ msgid "File Import..." #~ msgstr "Importation de fichier..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Tenter d'interpréter les ordres de liaison ?" #~ msgid "Setup Force Field" #~ msgstr "Configurer champ de force" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre d'étapes" #~ msgid "Algorithm" #~ msgstr "Algorithme" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "G" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Hélice alpha" #~ msgid "Beta Sheet" #~ msgstr "Feuillet bêta" #~ msgid "Pi Helix" #~ msgstr "Hélice pi" #~ msgid "Phi:" #~ msgstr "Phi :" #~ msgid "Psi:" #~ msgstr "Psi :" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Nombre de résidus :" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energie (kJ/mol) :" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolaire (D) :" #~ msgid "select Fragment" #~ msgstr "Sélectionner un fragment" #~ msgid "Basic" #~ msgstr "Élémentaire" #~ msgid "Comment" #~ msgstr "Commentaire" #~ msgid "Frequency" #~ msgstr "Fréquence" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "Matrice Z" #~ msgid "z-Matrix compact" #~ msgstr "Matrice Z compacte" #~ msgid "Advanced" #~ msgstr "Avancé" #~ msgid "Basis Set" #~ msgstr "Base" #~ msgid "Control" #~ msgstr "Contrôle" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "Copy text \t RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Base auxiliaire" #~ msgid "Aux. ECP" #~ msgstr "ECP auxiliaire" #~ msgid "Relativistic" #~ msgstr "Relativiste" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Ordre" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Base auxilliaire de corrélation" #~ msgid "Corr. ECP" #~ msgstr "Corrélation ECP" #~ msgid "Run type" #~ msgstr "Type d'exécution" #~ msgid "MOs" #~ msgstr "OM's" #~ msgid "Basis Sets" #~ msgstr "Bases" #~ msgid "Printlevel" #~ msgstr "Niveau d'impression" #~ msgid "Small" #~ msgstr "Petit" #~ msgid "Large" #~ msgstr "Détaillé" #~ msgid "Damping" #~ msgstr "Amortissement" #~ msgid "Factor" #~ msgstr "Facteur" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

sélectionner seulement si aucune valeur par défaut n'est souhaitée

" #~ msgid "Accuracy" #~ msgstr "Précision" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Convergers " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "Deuxième ordre" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "Itérations SCF max." #~ msgid "SCF Type" #~ msgstr "Type de SCF" #~ msgid "restricted" #~ msgstr "restreint" #~ msgid "unrestricted" #~ msgstr "non restreint" #~ msgid "restricted open-shell" #~ msgstr "couche ouverte restreinte" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "Grille X" #~ msgid "FinalGridX" #~ msgstr "Grille X finale" #~ msgid "DFT Functional" #~ msgstr "Fonctionnelle" #~ msgid "Grid" #~ msgstr "Grille" #~ msgid "FinalGrid" #~ msgstr "Grille finale" #~ msgid "POV-Ray Export" #~ msgstr "Exporter POV-Ray" #~ msgid "Select..." #~ msgstr "Sélectionner..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Utiliser le lissage complet de la scène" #~ msgid "Antialias" #~ msgstr "Lissage" #~ msgid "Set the background color to be transparent" #~ msgstr "Rendre la couleur du fond transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparence Alpha" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Rendu direct de la molécule avec la ligne de commande de POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Conserver le fichier source de POV-Ray après complétion du rendu" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conserver le fichier source de POV-Ray à la fin du rendu" #~ msgid "Path:" #~ msgstr "Chemin :" #~ msgid "Abinit Input" #~ msgstr "Entrée Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartésiennes (Angstrom)" #~ msgid "Reduced" #~ msgstr "Réduites" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Limite des ondes planes (Ha) :" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolérance sur les forces (Ha/bohr) :" #~ msgid "Max lattice expansion:" #~ msgstr "Expansion max de la maille :" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "décalage k-point :" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Number of bands:" #~ msgstr "Nombre de bandes :" #~ msgid "# k-point shifts:" #~ msgstr "# décalage k-point :" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Limite grille double PW (Ha) :" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Type d'occupation :" #~ msgid "SCF tolerance type:" #~ msgstr "Type de tolérance SCF :" #~ msgid "Wave Function norm" #~ msgstr "Norme de la fonction d'onde" #~ msgid "Total Potential" #~ msgstr "Potentiel total" #~ msgid "Relative Force" #~ msgstr "Force relative" #~ msgid "1 - semiconducting" #~ msgstr "1 - semicondutrice" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Étalement froid (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Étalement gaussien" #~ msgid "Smearing width (Ha):" #~ msgstr "Largeur d'étalement (Ha) :" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - pas d'ions mobiles " #~ msgid "1 - viscous damping" #~ msgstr "1 - amortissement visqueux" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS avec énergie" #~ msgid "# Geometrical time steps:" #~ msgstr "# Intervalles de temps géométriques :" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Lissage de l'énergie cinétique (Ha) :" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Calculer..." #~ msgid "Dalton Input" #~ msgstr "Entrée Dalton" #~ msgid "Basics" #~ msgstr "Informations de base" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Ajoute ce que vous saisissez dnas la ligne de titre du fichier d'entrée " #~ "pour\n" #~ "votre information personnelle." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Base :" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Style Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarisations consistantes de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Corrélations consistantes de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ \tDeveloper note:" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Fonctions de corrélation de cœur" #~ msgid "Diffuse functions" #~ msgstr "Fonctions diffuses" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directe" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Exécuter en parallèle si possible. Ce n'est possible que pour les\n" #~ "fonctions d'onde SCF et les calculs DFT. Dalton ne prend en charge que " #~ "MPI\n" #~ "dans la version actuelle et doit être compilé et installé correctement.\n" #~ "Le nombre de nœuds est défini par l'option « -N # » lors de l'exécution " #~ "du script « dalton »." #~ msgid "Parallel" #~ msgstr "Parallèle" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Pas de la grille :" #~ msgid "Partitioning Scheme:" #~ msgstr "Méthode de paritionnement :" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Finesse de la grille :" #~ msgid "coarse" #~ msgstr "grossière" #~ msgid "normal" #~ msgstr "normale" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "très fine" #~ msgid "Radial Scheme:" #~ msgstr "Méthode radiale :" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Afficher toutes les fonctionnelles" #~ msgid "Property:" #~ msgstr "Propriété :" #~ msgid "Polarizability" #~ msgstr "Polarisabilité" #~ msgid "Frequency Dependent" #~ msgstr "Dépendant de la fréquence" #~ msgid "No. excitations:" #~ msgstr "Nbre d'états excités :" #~ msgid "EFP Matches" #~ msgstr "Résultats PFE" #~ msgid "Group Label:" #~ msgstr "Étiquette du groupe :" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuration &avancée" #~ msgid "Hessian" #~ msgstr "Hessienne" #~ msgid "Stat Point" #~ msgstr "Point Stat" #~ msgid "System" #~ msgstr "Système" #~ msgid "MO Guess" #~ msgstr "Estimation MO" #~ msgid "Misc" #~ msgstr "Divers" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Fonctions de polarisation des atomes lourds :" #~ msgid "Read" #~ msgstr "Lire" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Couche S diffuse sur les atomes lourds" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Couche L diffuse sur les atomes lourds" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valence zeta double" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valence zeta triple" #~ msgid "SBKJA Valence" #~ msgstr "Valence SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valence Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Type ECP :" #~ msgid "Default" #~ msgstr "Par défaut" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Fonctions de polarisation des atomes lourds :" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#fonctions de polarisation des atomes légers :" #~ msgid "Polar:" #~ msgstr "Polaire :" #~ msgid "Max SCF Iterations:" #~ msgstr "Itérations SCF maximum :" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Marche" #~ msgid "Saddle Point" #~ msgstr "Point selle" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient extrémal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Moment de transition radiative" #~ msgid "Spin Orbit" #~ msgstr "Spin-orbite" #~ msgid "Finite Electric Field" #~ msgstr "Champ électrique fini" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimisation globale" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimisation FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensités Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Aucun (Cl)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Type de SCF :" #~ msgid "Localization Method:" #~ msgstr "Méthode localisée :" #~ msgid "Exec Type:" #~ msgstr "Type d'exécution :" #~ msgid "CI:" #~ msgstr "CI :" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Déterminant Ames Lab" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Contrainte d'occupation dans un espace actif multiple" #~ msgid "CI Singles" #~ msgstr "Singletons CI" #~ msgid "Full Second Order CI" #~ msgstr "CI complet au second ordre" #~ msgid "General CI" #~ msgstr "CI général" #~ msgid "CC:" #~ msgstr "CC :" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD : CC linéarisé" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD : CC avec paires" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD : CC avec singletons et paires" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Exécution normale" #~ msgid "Check" #~ msgstr "Vérification" #~ msgid "Debug" #~ msgstr "Débogage" #~ msgid "Molecule Charge:" #~ msgstr "Charge de la molécule :" #~ msgid "Run Type:" #~ msgstr "Type d'exécution :" #~ msgid "Use MP2" #~ msgstr "Utiliser MP2" #~ msgid "Use DFT" #~ msgstr "Utiliser DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Nombre de variables de matrice Z" #~ msgid "Ǻngstrom" #~ msgstr "Ångstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordre de l'axe principal :" #~ msgid "Coordinate Type:" #~ msgstr "Type de coordonnées :" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordonnées cartésiennes uniques" #~ msgid "Hilderbrant internals" #~ msgstr "Internes de Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matrice Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Utiliser la symétrie durant le calcul" #~ msgid "Point Group:" #~ msgstr "Groupe ponctuel :" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Heures" #~ msgid "Days" #~ msgstr "Jours" #~ msgid "Weeks" #~ msgstr "Semaines" #~ msgid "Years" #~ msgstr "Années" #~ msgid "Millenia" #~ msgstr "Millénaires" #~ msgid "MegaWords" #~ msgstr "Mégamots" #~ msgid "MegaBytes" #~ msgstr "Mégaoctets" #~ msgid "GigaWords" #~ msgstr "Gigamots" #~ msgid "GigaBytes" #~ msgstr "Gigabits" #~ msgid "Force Parallel Methods" #~ msgstr "Forcer l'usage de méthodes parallèles" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produire un fichier « core » lors d'un plantage" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI :" #~ msgid "Memory:" #~ msgstr "Mémoire :" #~ msgid "Diagonalization Method:" #~ msgstr "Méthode de diagonalisation :" #~ msgid "Parallel Load Balance Type" #~ msgstr "Type de répartition de charge en parallèle" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Boucle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Valeur suivante" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Utilisation la représentation externe des données dans les messages" #~ msgid "Initial Guess:" #~ msgstr "Estimation initiale :" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Lecture MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO enregistré (DICTNRY)" #~ msgid "Skip" #~ msgstr "Ignorer" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotation des orbitales alpha et beta" #~ msgid "Print the Initial Guess" #~ msgstr "Afficher l'estimation initiale" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interface GAMESS pour autres codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forcer une vérification de type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Version UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussien 9x" #~ msgid "Solvate with Water" #~ msgstr "Dissoudre dans l'eau" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Générer orbitales naturelles UHF" #~ msgid "Direct SCF" #~ msgstr "SCF direct" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calculer seulement ce qui a changé dans la matrice de Fock" #~ msgid "Slater exchange" #~ msgstr "Échange de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Échange Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN : corrélation Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP : corrélation Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN : Echange Slater + corrélation VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN : échange BECKE + corrélation VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP : échange BECKE + corrélation LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Échange Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Échange Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP : corrélation progressive à 1 paramètre" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP : SLATER + corrélation Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP : SLATER + corrélation OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP : échange BECKE + corrélation OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN : échange GILL+ corrélation VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP : échange GILL + corrélation LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN : échange PBE + corrélation VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP : échange PBE + corrélation LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP : échange PBE + corrélation OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP : échange HF et BECKE + corrélation LYP" #~ msgid "Grid-Free" #~ msgstr "Sans grille" #~ msgid "DFT Functional:" #~ msgstr "Fonctionnelle DFT :" #~ msgid "AO Integral Storage" #~ msgstr "Stockage des intégrales OA" #~ msgid "Duplicated on Each Node" #~ msgstr "Dupliqué sur chaque nœud" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribution sur tous les nœuds" #~ msgid "words" #~ msgstr "mots" #~ msgid "Compute MP2 Properties" #~ msgstr "Calculer les propriétés MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Limite de prise en compte des orbitales" #~ msgid "Use Localized Orbitals" #~ msgstr "Utiliser orbitales localisées" #~ msgid "# of Core Electrons:" #~ msgstr "Nombre d'électrons de cœur :" #~ msgid "Transformation Method" #~ msgstr "Méthode de transformation" #~ msgid "Two Phase Bin Sort" #~ msgstr "Tri « bin sort » à deux phases" #~ msgid "Segmented Transformation" #~ msgstr "Transformation segmentée" #~ msgid "Numeric" #~ msgstr "Numérique" #~ msgid "Double Differenced Hessian" #~ msgstr "Matrice hessienne" #~ msgid "Print Internal Force Constants" #~ msgstr "Afficher constantes de force internes" #~ msgid "Displacement Size:" #~ msgstr "Taille du déplacement :" #~ msgid "Purify Hessian" #~ msgstr "Purifier hessienne" #~ msgid "Frequency Scale Factor:" #~ msgstr "Facteur d'échelle de fréquence :" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessienne initiale" #~ msgid "Guess (+ define)" #~ msgstr "Deviner (et définir)" #~ msgid "Read (from $HESS)" #~ msgstr "Lire (sur $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualiser la taille d'une étape" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Afficher orbitales à chaque itération" #~ msgid "Jump Size:" #~ msgstr "Taille de saut :" #~ msgid "Stationary Point" #~ msgstr "Point stationnaire" #~ msgid "Initial:" #~ msgstr "Initial :" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimisation par fonction rationnelle" #~ msgid "Quadratic Approximation" #~ msgstr "Approximation quadratique" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimisation contrainte" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculer Hessienne tous les :" #~ msgid "Follow Mode:" #~ msgstr "Mode de suivi :" #~ msgid "GAMESS-UK Input" #~ msgstr "Données GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Données GAMESS-UK générées par Avogadro" #~ msgid "Transition State Search" #~ msgstr "Recherche d'état de transition" #~ msgid "Basis:" #~ msgstr "Base :" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matrice Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "En mode direct, les intégrales ne sont pas enregistrées sur disque, mais " #~ "recalculées au besoin.\n" #~ "Sur des systèmes modernes avec des processeurs rapides et des disques " #~ "lents, ce mode\n" #~ "est souvent plus rapide." #~ msgid "Run in direct mode:" #~ msgstr "Exécuter en mode direct :" #~ msgid "Gaussian Input" #~ msgstr "Entrée Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint :" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrice Z compacte" #~ msgid "MOLPRO Input" #~ msgstr "Données MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Version de Molpro :" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Données MOPAC" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintuplet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "PM1" #~ msgid "NWChem Input" #~ msgstr "Entrée NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Entrée Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Données TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Couche ouverte" #~ msgid "PBD" #~ msgstr "PDB" #~ msgid "no" #~ msgstr "non" #~ msgid "yes" #~ msgstr "oui" #~ msgid "Dispersion:" #~ msgstr "Dispersion :" #~ msgid "Load Shaders" #~ msgstr "Charger les ombrages" #~ msgid "Shader Name:" #~ msgstr "Nom de l'ombrage :" #~ msgid "Vertex Shader:" #~ msgstr "Ombrage des sommets :" #~ msgid "Fragment Shader:" #~ msgstr "Ombrage de fragment :" #~ msgid "Assign Shader" #~ msgstr "Attribuer un ombrage" #~ msgid "Display Type:" #~ msgstr "Type d'affichage :" #~ msgid "Font:" #~ msgstr "Police de caractères :" #~ msgid "Change Font..." #~ msgstr "Changer la police de caractères..." #~ msgid "Foreground:" #~ msgstr "Avant-plan :" #~ msgid "New..." #~ msgstr "Nouveau..." #~ msgid "Rename..." #~ msgstr "Renommer..." #~ msgid "&Schemes:" #~ msgstr "&Projets :" #~ msgid "&DPI:" #~ msgstr "&DPI :" #~ msgid "&Width:" #~ msgstr "&Largeur :" #~ msgid "&Height" #~ msgstr "&Hauteur" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utiliser une valeur optimisée de la taille de police au lieu de la valeur " #~ "spécifiée dans le projet (les tailles de point écran-image ne se mette " #~ "pas bien à l'échelle)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-ajuster la taille de police" #~ msgid "Spectra Tab" #~ msgstr "Tableau des spectres" #~ msgid "&Gaussian Width:" #~ msgstr "&Élargissement gaussien" #~ msgid "&Label peaks" #~ msgstr "&Étiquette des pics" #~ msgid "Rotatory Strength type:" #~ msgstr "Type de pouvoir rotatoire :" #~ msgid "Energy units:" #~ msgstr "Unités des énergies :" #~ msgid "Density units" #~ msgstr "Unités des densités" #~ msgid "Fermi Energy: " #~ msgstr "Énergie de Fermi : " #~ msgid "States / Cell" #~ msgstr "États/maille" #~ msgid "States / Atom" #~ msgstr "États/atome" #~ msgid "States / Valence electron" #~ msgstr "États/électron de valence" #~ msgid "Fermi energy at zero" #~ msgstr "Énergie de Fermi à zéro" #~ msgid "Scale integrated DOS" #~ msgstr "Mettre àl'échelle la DEE intégrée" #~ msgid "Show integrated DOS" #~ msgstr "Afficher la DEE intégrée" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Unités de l'axe des Y :" #~ msgid "Scaling Type:" #~ msgstr "Type de mise à l'échelle :" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Nombre d'onde du laser :" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_RMN" #~ msgid "Nucleus:" #~ msgstr "Noyau :" #~ msgid "Gaussian &Width:" #~ msgstr "Élargissement & gaussien :" #~ msgid "Reset &Plot Axes" #~ msgstr "Ré-initialiser &tracer les axes" #~ msgid "Label Peaks:" #~ msgstr "Étiqueter les pics :" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Fréquences" #~ msgid "Filter: " #~ msgstr "Filtre : " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activité (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Afficher les spectres..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "Les fréquences de vibration élevées auront des mouvement plus rapides." #~ msgid "Animation speed set by frequency" #~ msgstr "Vitesse d'animation fixée par la fréquence" #~ msgid "Display force &vectors" #~ msgstr "Affichage des forces et des vecteurs" #~ msgid "&Normalize displacements" #~ msgstr "Normaliser les déplacements" #~ msgid "&Recalculate All" #~ msgstr "&Tout recalculer" #~ msgid "Default &Quality:" #~ msgstr "&Qualité par défaut :" #~ msgid "Show occupied orbitals first" #~ msgstr "Afficher les orbitales occupées en premier" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limiter le pré-calcul d'orbitale aux " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitales voisines des HO/BV" #~ msgid "Surface Type:" #~ msgstr "Type de surface :" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Basse" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Moyenne" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Élevée" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Très élevée" #~ msgid "Isosurface cutoff value" #~ msgstr "Limite de prise en compte de l'isosurface" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Dans l'affichage du type :" #~ msgid "New Display" #~ msgstr "Nouvel affichage" #~ msgid "Advanced..." #~ msgstr "Avancé..." #~ msgid "&n:" #~ msgstr "&n :" #~ msgid "&m:" #~ msgstr "&m :" #~ msgid "&Length:" #~ msgstr "&Longueur :" #~ msgid "Uni&t:" #~ msgstr "Uni&té :" #~ msgid "periodic units" #~ msgstr "unités périodiques" #~ msgid "angstrom" #~ msgstr "angström" #~ msgid "bohr radii" #~ msgstr "bohr" #~ msgid "nanometers" #~ msgstr "nanomètres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Coiffé d'hydrogène" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Ceci peut prendre un certain temps. Si on a seulement besoin des " #~ "coordonnées \n" #~ "atomiques (par exemple pour un calcul de mécanique quantique),\n" #~ "une représentation à liaison simple seulement peut suffire." #~ msgid "Find &double bonds" #~ msgstr "Localiser &les liaisons doubles" #~ msgid "Molecular Symmetry" #~ msgstr "Symétrie moléculaire" #~ msgid "VRML Export" #~ msgstr "Exportation VRML" #~ msgid "Scale (mm/Å):" #~ msgstr "Échelle (mm/Å) :" #~ msgid "Smallest sphere (mm): " #~ msgstr "La plus petite shère (mm) : " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Cylindre le plus fin (mm) : " #~ msgid "Calculate Size..." #~ msgstr "Calculer la taille..." #~ msgid "Display visual cues" #~ msgstr "Afficher l'aide contextuelle" #~ msgid "Python Settings" #~ msgstr "Paramètres Python" #~ msgid "Z Matrix Editor" #~ msgstr "Éditeur de matrice Z" OpenChemistry-avogadrolibs-ceb949f/i18n/fr_CA.po000066400000000000000000007640471516317240700216050ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # FIRST AUTHOR , YEAR. # msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" "Language: fr_CA\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" OpenChemistry-avogadrolibs-ceb949f/i18n/gl.po000066400000000000000000012452111516317240700212210ustar00rootroot00000000000000# Translations for the Avogadro molecular library libavogadro. # Copyright (C) 2006-2010 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # # Marce Villarino , 2010. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.1.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Galician \n" "Language: gl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Xerador de entrada" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Pechar" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Descoñecido" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidróxeno" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helio" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitróxeno" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxíxeno" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Xofre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potasio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escandio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadio" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Cromo" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Cinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galio" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Xermanio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsénico" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Cripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estroncio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Circonio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecnecio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Prata" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Estaño" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telurio" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutecio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tántalo" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volframio" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Ouro" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercurio" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talio" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Chumbo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Ástato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francio" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curio" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berquelio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurencio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Ruterfordio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrio" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicio" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Ténnesso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Todos os ficheiros" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teoría" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[ningunha molécula]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Esferas e varelas" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Debuxos animados" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Forza" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superficies" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Modelo de aramios" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "sen título" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Táboa periódica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Engadir un átomo" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Eliminar o átomo" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Axustar os hidróxenos" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Trocar o elemento" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Trocar o elemento" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Engadir un enlace" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Borrar o enlace" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Orde do enlace" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Modificar a orde de enlace" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Retirar a cela unidade" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Envolver os átomos da cela" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Escalar o volume da cela" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rotar á orientación estándar" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Reducir á cela primitiva" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Encher a cela unidade" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Configuracións" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Ficheiro" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construír" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Aliñar" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Eixe:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 #, fuzzy msgid "Center the atom at the origin." msgstr "do atomo seleccionado na orixe." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Aliña moléculas sobre un eixo cartesiano" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Erro" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Erro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Éxito" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Cor personalizada…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Carga parcial…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "estrutura secundaria" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminoácidos" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Espectros" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vista" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Cor o residuo" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimización" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Comezar" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Deter" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimizar a xeometría" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinámica molecular" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostrar varios enlaces" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulación centrada nos enlaces" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulación centrada nos enlaces." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Percibe os enlaces" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Enlace" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Percibe os enlaces." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Esqueleto" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Fita" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Debuxos animados" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensións" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Outro…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "&Calcular" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Ángulo" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipo" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordenadas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor de coordenadas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nome do elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Símbolo do elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Índices atómicos." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Número atómico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizada" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada do Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Copiar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Borrar" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Enerxía" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Optimización da xeometría" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mecánica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradientes conxugados" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Máximo gradiente" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importar cristal desde o portapapeis…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Engadir unha cela unidade…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Envolver os átomos da cela" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Rotar á &orientación estándar" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Escalar a cela ao &volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reducir a cela (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "&Cristalografía" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Retirar a cela &unidade" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Engadir unha cela &unidade" #: qtplugins/crystal/crystal.cpp:169 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Importar cristal desde o portapapeis" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Envolver os átomos da cela." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Non é posíbel analizar o texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Debuxar" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Debuxar un átomo" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distancia:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Simple" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Duplo" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triplo" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Obter do PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "A estrutura química que se vai obter." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Erro de esgotamento do tempo límite da rede ou de outro tipo." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Non foi posíbel achar a molécula especificada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Obter do PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Fixar os átomos escollidos" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "Enerxía %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimización do campo de forzas" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada de GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Punto singular de enerxía" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Xeometría de equilibrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estado de transición" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frecuencias" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Facer EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencial nuclear" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ningún" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Auga" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlete" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doblete" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplete" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicatión" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Catión" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anión" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianión" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Axustar os hidróxenos" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Engadir hidróxenos" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Eliminar hidróxenos" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hidróxenos" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidróxenos" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importar cristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Inserir un fragmento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserir un fragmento" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Insire fragmentos de moléculas para construír outras máis grandes." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Cor:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID único" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Etiquetas dos átomos:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 #, fuzzy msgid "Residue Label:" msgstr "Etiquetas do residuo:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Desexa actualizar o texto de previsualización, perdendo todas as " "modificacións que fixese no panel de vista previa do ficheiro de entrada do " "Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacidade:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Non hai descrición!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Medir" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedro:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Ángulo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propiedades" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propiedades da molécula" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propiedades da molécula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportar a CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Ficheiros CSV (*.csv);;Todos os ficheiros (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Non foi posíbel abrir o ficheiro para escribir." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegar" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nome químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Configurar o campo de forzas…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Busca de confórmeros…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Percibe os enlaces" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Engadir hidróxenos para o pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Eliminar hidróxenos" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizar a xeometría (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "O ficheiro de traxectoria %1 non se corresponde co número de átomos nesta " "molécula (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Engadir hidróxenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Engadir hidróxenos para o pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Eliminar hidróxenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Desexa actualizar o texto de previsualización, perdendo todas as " "modificacións que fixese no panel de vista previa do ficheiro de entrada do " "OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Estado" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Xerador de entrada" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Enlaces dinámicos" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pausar" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "ficheiros de vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Gardar o ficheiro" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valencia" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Cor" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Átomo inicial" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Átomo final" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Orde do enlace" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lonxitude (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Estrutura Secundaria" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vértice" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Ángulo (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Propiedades do átomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Propiedades do enlace…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Propiedades do ángulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Propiedades da torsión…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Xanelas para mostrar as propiedades do átomo, do enlace, do ángulo e da " "torsión." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propiedades" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propiedades do átomo" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propiedades do enlace" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propiedades do ángulo" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propiedades da torsión" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propiedades do confórmero" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Debuxa as primitivas empregando as propiedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Abrir un ficheiro WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Ficheiros WFN (*.wfn);;Todos os ficheiros (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensión do QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Escoller segundo o residuo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Escoller" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Escoller o residuo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Escoller" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selección" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepción do espazo de grupo…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Encher a cela unidade…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Espazo de grupo" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Produciuse un fallo na percepción do espazo de grupo.\n" "Gustaríalle tentalo de novo cunha tolerancia diferente?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Estabelecer o espazo de grupo" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Espazo de grupo" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Espectros" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infravermellos" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "Electrónica" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "densidade de estados" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Escoller a cor de fondo" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Escoller a cor do primeiro plano" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Escoller a cor do espectro calculado" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Escoller a cor do espectro importado" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Número de onda (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intensidades" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Desprazamento (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Enerxía (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidade electrónica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Crear as superficies…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Calculando a densidade electrónica" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Iniciar a animación" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Deter a animación" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibración" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Fallou o inicio de %1" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulario" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Inserir un fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de forzas:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Éxito" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carga parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Engadir" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Aceptar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Limpar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Restaurar todo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Predeterminados" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuración &básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opción de super cela" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetir A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetir B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetir C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escalar o volume da cela unidade" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de texto" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orde do enlace:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada de GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "En:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidade:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Con:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Outro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Simple" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Duplo" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arxinina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparaxina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Ácido aspártico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteína" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Ácido glutámico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofano" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Secuencia (de N até C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereoquímica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N terminal:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C terminal:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Cadea recta" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Número da cadea:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "O número da cadea do novo péptido" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Usar a forma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Orixe" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Busca de confórmeros" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Número de confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Busca sistemática de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Busca aleatoria de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Busca ponderada de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Máximo gradiente" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo de forzas:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referencia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Simple" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Duplo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restricións:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Enerxía total" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Lonxitude de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raio do punto crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raio da rota do enlace:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamaño constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Factor de escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Largura:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy msgid "Peak Threshold:" msgstr "Límite:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparencia" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectros importados:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Importa un tsc de espectros experimentais para sobrepolos no debuxo." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fondo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Espectro calculado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar os datos" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Pechar" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Duplo clic esquerdo: Restaurar os límites predeterminados dos eixos\n" "Clic dereito + arrastrar: Mover o debuxo\n" "Clic central + arrastrar: Ampliar á rexión\n" "Rota do rato: Ampliar ao cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Calidade: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baixa" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Media" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alta" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Moi alta" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crear as superficies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Cor segundo:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Potencial electrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolución:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor da isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "o portapapeis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Miguel Anxo Bouzada,Mvillarino, ,Launchpad " "Contributions:,Miguel Anxo Bouzada,Mvillarino, ,Launchpad " "Contributions:,Miguel Anxo Bouzada,Mvillarino, ,Launchpad " "Contributions:,Miguel Anxo Bouzada,Mvillarino, ,Launchpad " "Contributions:,Miguel Anxo Bouzada,Mvillarino" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,,mbouzada@gmail.com," #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Ángulo:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "°" #~ msgstr "°" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pendente)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Xanelas para mostrar as propiedades do átomo, do enlace, do ángulo e da " #~ "torsión." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analítico" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importar..." #~ msgid "Set Color..." #~ msgstr "Estabelecer a cor..." #~ msgid "&Export..." #~ msgstr "&Exportar..." #~ msgid "&Load data..." #~ msgstr "&Cargar datos..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Carga parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animación" #, fuzzy #~ msgid "Geometry" #~ msgstr "Xeometría" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Engadir unha cela &unidade" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Índices atómicos" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distancia" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Índices atómicos" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copiar todo" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nome IUPAC da molécula:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Masa molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de enlaces:" #~ msgid "TODO" #~ msgstr "POR FACER" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Tamaño do salto:" #, fuzzy #~ msgid "In." #~ msgstr "En:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "DFT funcional:" #~ msgid "Other..." #~ msgstr "Outro..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nome do ficheiro:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrutura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navegar" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navegar" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome do elemento" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Todos os ficheiros" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboédrico" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molécula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Non se definiu ningunha molécula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Pegar cristal" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Engadir hidróxenos para o pH..." #~ msgid "Atom Properties..." #~ msgstr "Propiedades do átomo..." #~ msgid "Bond Properties..." #~ msgstr "Propiedades do enlace..." #~ msgid "Angle Properties..." #~ msgstr "Propiedades do ángulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propiedades da torsión..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propiedades da molécula..." #~ msgid "Create Surfaces..." #~ msgstr "Crear superficies..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetria" #~ msgid "Insert Fragment..." #~ msgstr "Inserir un fragmento..." #~ msgid "Theory:" #~ msgstr "Teoría:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distancia (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotábel" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Lonxitude %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Ángulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ángulo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confórmerr %1\n" #~ "Torsión %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsión %1" #~ msgid "Torsion" #~ msgstr "Torsión" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Enerxía (kJ/mol):" #~ msgid "Yes" #~ msgstr "Si" #~ msgid "No" #~ msgstr "Non" #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir un fragmento SMILES:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Importar cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insire fragmentos de moléculas para construír outras máis grandes" #~ msgid "E&xtensions" #~ msgstr "E&xtensións" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizar a xeometría" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimización da xeometría" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Engadir hidróxenos" #, fuzzy #~ msgid "Stopped" #~ msgstr "Deter" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superficies" #~ msgid "Color by Index" #~ msgstr "Cor segundo o índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Cor segundo o índice (vermello, laranxa, marelo, verde, azul, violeta)." #~ msgid "Color by Partial Charge" #~ msgstr "Cor segundo a carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Cor segundo a carga atómica parcial (azul = positivo, vermello = " #~ "negativo)." #~ msgid "Custom Color:" #~ msgstr "Cor personalizada:" #~ msgid "Set custom colors for objects" #~ msgstr "Definir cores personalizadas para os obxectos" #~ msgid "Color by Distance" #~ msgstr "Cor segundo a distancia" #~ msgid "Color by distance from the first atom." #~ msgstr "A cor segundo a distancia á que se estea do primeiro átomo." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "A cor segundo o elemento (carbono = gris, oxixeno = vermello ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "A cor segundo o residuo (tipo de aminoácido, hidrofobia, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Padrón de SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Cor de realce:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Cor segundo o padrón SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Realza características concretas cun padrón de SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motores" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Debuxa os eixos x, y e z na pola orixe" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Debuxa as primitivas mediante bólas (átomos) e paus (enlaces)" #~ msgid "Hydrogen Bond" #~ msgstr "Enlaces de hidróxeno" #~ msgid "Renders hydrogen bonds" #~ msgstr "Debuxa os enlaces de hidróxeno" #~ msgid "Select Atom Labels Color" #~ msgstr "Escoller as cores das etiquetas dos átomos" #~ msgid "Select Bond Labels Color" #~ msgstr "Escoller as cores das etiquetas dos enlaces" #~ msgid "Select Bond Labels Font" #~ msgstr "Escoller o tipo de letra das etiquetas dos enlaces" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Debuxa os átomos como tetraedros, octaedros ou outros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Debuxa os esqueletos das proteínas como fitas" #~ msgid "Ring" #~ msgstr "Anel" #~ msgid "Renders rings with colored planes" #~ msgstr "Debuxa os aneis con planos coloreados" #~ msgid "Simple Wireframe" #~ msgstr "Modelo de aramios simple" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Debuxa os enlaces como aramios (liñas), o que é ideal para as moléculas " #~ "grandes" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Varela" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidade electrónica, isosuperficie = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperficie = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Debuxa os enlaces como aramios (liñas), o que é ideal para (bio)moléculas " #~ "moi grandes" #~ msgid "Trajectory files" #~ msgstr "Ficheiros de traxectoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Ficheiros HISTORY do DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir un ficheiro de traxectoria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Engadindo a extensión .avi" #~ msgid "Animation..." #~ msgstr "Animación..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Non foi posíbel ler o formato do ficheiro %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Fallou a lectura do ficheiro de traxectoria %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Debe indicar un nome de ficheiro .avi válido" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Non se inicializou correctamente o widget GL para poder gardar vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome non válido de ficheiro de vídeo. Debe incluír toda a rota do cartafol" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome non válido de ficheiro de vídeo. Debe incluír a rota completa do " #~ "cartafol e o nome, rematado por .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "" #~ "Non foi posíbel determinar o formato a partir do nome do ficheiro: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima traxectorias, reaccións e vibracións." #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Non se definiu ningunha cela unidade para a molécula, polo que non se " #~ "poden empregar unidades fraccionarias." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de enlaces rotábeis: %1" #~ msgid "Add constraint" #~ msgstr "Engadir unha restrición" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "A molécula debe conter polo menos un átomo para poder engadir unha " #~ "restrición" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "A molécula debe conter polo menos dous átomos para poder engadir unha " #~ "restrición ao enlace" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "A molécula debe conter polo menos tres átomos para poder engadir unha " #~ "restrición ao ángulo" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "A molécula debe conter polo menos catro átomos para poder engadir unha " #~ "restrición á torsión" #~ msgid "&Reduce" #~ msgstr "&Reducir" #~ msgid "&Length Unit" #~ msgstr "Unidade de &lonxitude" #~ msgid "&Angle Unit" #~ msgstr "Unidade &angular" #~ msgid "Hide &Editors" #~ msgstr "Agochar os &editores" #~ msgid "Show &Editors" #~ msgstr "Mostrar os &editores" #~ msgid "Hide &Property Display" #~ msgstr "Agochar a pantalla de &propiedades" #~ msgid "Show &Property Display" #~ msgstr "Mostrar a pantalla de &propiedades" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo do tecido: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Espazo de grupo: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume da cela unidade: %L1%2" #~ msgid "Undefined" #~ msgstr "Sen definir" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorrómbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Non foi posíbel reducir a cela despois de 1000 iteracións do algoritmo de " #~ "redución. Detendo." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotar á &orientación estándar" #~ msgid "Perceive Space&group..." #~ msgstr "Percepción do espazo de &grupo" #~ msgid "Set &Spacegroup..." #~ msgstr "Estabelecer o e&spazo de grupo..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Encher a cela unidade" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Encher a cela unidade co actual espazo de grupo." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Si&metrizar cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reducir a cela (&Primitivo)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometro" #~ msgid "&Picometer" #~ msgstr "&Picometro" #~ msgid "&Degree" #~ msgstr "&Graos" #~ msgid "&Radian" #~ msgstr "&Radiáns" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar as coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar as coordenadas &cartesianas durante a modificación da cela" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar as coordenadas &fraccionais durante a modificación da cela" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar a matriz &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostrar a matriz &fraccional" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como &columna de vectores" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Non hai estabelecido un espazo de grupo para este documento.\n" #~ "\n" #~ "Desexa estabelecer agora un espazo de grupo?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Detectouse o espazo de grupo : non é posíbel sintetizar este espazo de " #~ "grupo.\n" #~ "\n" #~ "Gustaríalle tentalo de novo cunha tolerancia diferente?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Envolver os átomos da cela" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reducir á cela de Niggli" #~ msgid "Crystallography" #~ msgstr "Cristalografía" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Constrúa e analice estruturas periódicas." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "A entrada non está formatada cun dos\n" #~ "seguintes formatos admitidos:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Composición incorrecta" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "O campo de identidade debe conter o mesmo número de entradas de espazo " #~ "delimitado como a liña 6 do POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenadas cartesianas" #~ msgid "Set Unit Cell Params" #~ msgstr "Estabelecer os parámetros da cela unidade" #~ msgid "Please select one or more atoms." #~ msgstr "Seleccione un ou máis átomos." #~ msgid "Trajectory..." #~ msgstr "Traxectoria..." #~ msgid "Open chemical file format" #~ msgstr "Abrir un ficheiro do formato químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Ficheiros químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir un ficheiro de parámetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Ficheiros químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar unha traxectoria" #~ msgid "Import trajectory files" #~ msgstr "Importar ficheiros de traxectoria" #~ msgid "Calculate Energy" #~ msgstr "Calcular a enerxía" #~ msgid "Conformer Search..." #~ msgstr "Busca de confórmeros..." #~ msgid "Constraints..." #~ msgstr "Restricións..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Non se pode definir para esta molécula os campo de forzas escollido. " #~ "Múdase para UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimización da xeometría" #~ msgid "Systematic Rotor Search" #~ msgstr "Busca sistemática de rotores" #~ msgid "Random Rotor Search" #~ msgstr "Busca aleatoria de rotores" #~ msgid "Weighted Rotor Search" #~ msgstr "Busca ponderada de rotores" #~ msgid "ForceField" #~ msgstr "Campo de forzas" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiza moléculas e xera confórmeros empregando campos de forzas de " #~ "mecánica molecular" #~ msgid "&Vector Graphics..." #~ msgstr "&Gráficos vectoriais..." #~ msgid "Common vector image formats" #~ msgstr "Formatos de imaxe vectorial habituais" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportar gráficos de vectores" #~ msgid "Change H to Methyl" #~ msgstr "Substituír un H por un metilo" #~ msgid "H to Methyl" #~ msgstr "H para metilo" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transforma hidróxenos en grupos metilo" #~ msgid "Add or remove hydrogens" #~ msgstr "Engade ou elimina hidróxenos" #~ msgid "Peptide..." #~ msgstr "Péptido..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserir secuencias de oligopéptidos" #~ msgid "Invert Chirality" #~ msgstr "Inverter a quiralidade" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Inverte os centros de quiralidade" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "descoñecido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento dipolar estimado (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Mostra as propiedades moleculares estándar." #~ msgid "Fetch by chemical name..." #~ msgstr "Obter segundo o nome químico..." #~ msgid "Fetch from URL..." #~ msgstr "Obter dun URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "A entrada PDB que se vai obter." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "O URL da molécula que se vai obter." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Non foi posíbel cargar a molécula especificada: %1" #~ msgid "Network Fetch" #~ msgstr "Obtención a través da rede" #~ msgid "Fetch molecule files over the network." #~ msgstr "Obtén ficheiros de molécula a través da rede." #~ msgid "Show Preview" #~ msgstr "Mostrar a vista previa" #~ msgid "Hide Preview" #~ msgstr "Acochar a vista previa" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gardar a imaxe debuxada por POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Ficheiros de imaxe (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Non se indicou ningún nome válido de ficheiro." #~ msgid "Does not compute." #~ msgstr "Non se computa." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Pediu que non se debuxase directamente empregando POV-Ray e que non se " #~ "conserve o ficheiro de POV-Ray, polo que a imaxe resultante non se ha " #~ "gardar. Desexa realmente isto?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Non é posíbel escribir no ficheiro %1. Ten permisos para escribir nese " #~ "lugar?" #~ msgid "POV-Ray failed to start." #~ msgstr "Fallou a carga de POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Fallou a carga de POV-Ray. Talvez non se indicase correctamente a rota ao " #~ "executábel." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea ficheiros de POV-Ray e debúxaos empregando o programa da liña de " #~ "ordes POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propiedades do confórmero..." #~ msgid "Python Terminal" #~ msgstr "Terminal de Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiva de scripting con Python" #~ msgid "Abinit Running." #~ msgstr "Abinit está a executarse." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit non está instalado." #~ msgid "The abinit executable cannot be found." #~ msgstr "Non é posíbel atopar o executábel de Abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit non pode ser iniciado. É probábel que non estea instalado " #~ "correctamente." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit non está a executarse correctamente. É probábel que a instalación " #~ "non sexa correcta." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada de Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións feitas no panel de vista previa do ficheiro de entrada de " #~ "Dalton?" #~ msgid "QM Matches" #~ msgstr "Acertos da QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selección de EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Escolla para QM..." #~ msgid "You must make a selection!" #~ msgstr "Debe facer unha selección." #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Non está dispoñíbel a conversión de SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "A conversión do formato SMILES non está dispoñíbel!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Crear ficheiros de entrada para o paquete de química cuántica GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Modificouse a configuración avanzada" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Modificouse a configuración avanzada.\n" #~ "Desexa descartala?" #~ msgid "Advanced Settings Reset" #~ msgstr "Restaurar a configuración avanzada" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Desexa realmente restaurar a configuración avanzada?\n" #~ "Perderanse todas as modificacións." #~ msgid "Basic Settings Reset" #~ msgstr "Restaurar a configuración básica" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Desexa realmente restaurar a configuración básica?\n" #~ "Perderanse todas as modificacións." #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de lotes de entrada do GAMESS" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Ficheiro de entrada do GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de lotes de entrada do Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Ficheiro de entradas do Gaussian" #~ msgid "Gaussian Running." #~ msgstr "O Gaussian está a executarse." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "O Gaussian xa se está a executar. Agarde até que remate o anterior " #~ "cálculo." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian non está instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Non foi posíbel atopar o executábel do G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 non se iniciou, talvez non estea correctamente instalado." #~ msgid "Running Gaussian calculation..." #~ msgstr "A executar un cálculo co Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 pechouse inesperadamente." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian non se executou correctamente, talvez non estea correctamente " #~ "instalado." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada do Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Ficheiro de entradas do Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Aviso de entrada do MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Ficheiro de entradas do MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC está a executarse." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "O MOPAC xa se está a executar. Agarde até que remate o anterior cálculo." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC non está instalado." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Non foi posíbel atopar o executábel do MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "Fallou o inicio de MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC non se iniciou, talvez non estea correctamente instalado." #~ msgid "Running MOPAC calculation..." #~ msgstr "A executar un cálculo co MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC pechouse inesperadamente." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC non se executou correctamente, talvez non estea correctamente " #~ "instalado." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada do NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Ficheiro de entradas do NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada do Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Ficheiro de entradas do QChem" #~ msgid "Select SMARTS..." #~ msgstr "Escoller o SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Engadir unha escolla con nome..." #~ msgid "SMARTS Selection" #~ msgstr "Selección de SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Padrón do SMARTS a escoller" #~ msgid "There is no current selection." #~ msgstr "Non hai nada escollido." #~ msgid "Add Named Selection" #~ msgstr "Engadir unha escolla con nome" #~ msgid "Name cannot be empty." #~ msgstr "O nome non pode estar en branco." #~ msgid "There is already a selection with this name." #~ msgstr "Xa hai unha escolla con ese nome." #~ msgid "Selections" #~ msgstr "Escollas" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Escoller átomos, enlaces, residuos..." #~ msgid "GLSL Shaders..." #~ msgstr "Sombreadores GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Abre un ficheiro de código fonte de sombreador de vértices" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Ficheiros de sombreador de vértices (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Abre un ficheiro de código fonte de sombreador de fragmentos" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Ficheiros de sombreador de fragmentos (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Abrir un ficheiro de parámetros do sombreador" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Ficheiros de parámetros do sombreador (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Sombreadores GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carga e emprega sombreadores GLSL de OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensidade (uds. arbitrarias)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densidade de estados (estados/cela)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densidade de estados (estados/átomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densidade de estados (estados/valencia electrónica)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitancia (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbancia (%)" #~ msgid "No intensities" #~ msgstr "Non hai intensidades" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Os datos de vibración da molécula que cargou non posúen ningún dato de " #~ "intensidade. Definíronse valores de intensidade arbitrarios para permitir " #~ "a visualización." #~ msgid "Activity" #~ msgstr "Actividade" #~ msgid "X Axis" #~ msgstr "Eixo X" #~ msgid "Y Axis" #~ msgstr "Eixo Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Configuración do espectro de &infravermellos" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Configuración do espectro de &RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DDE" #~ msgid "&UV Settings" #~ msgstr "Configuración do &UV" #~ msgid "&CD Settings" #~ msgstr "Configuración do &CD" #~ msgid "&Raman Settings" #~ msgstr "Configuración de &Raman" #~ msgid "No data" #~ msgstr "Non hai datos" #~ msgid "Dark" #~ msgstr "Escuro" #~ msgid "Publication" #~ msgstr "Publicación" #~ msgid "Handdrawn" #~ msgstr "Debuxado á mao" #~ msgid "New Scheme" #~ msgstr "Esquema novo" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirme a eliminación do esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Desexa realmente eliminar este esquema?" #~ msgid "Change Scheme Name" #~ msgstr "Mudar o nome do esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Introduza o nome novo do esquema actual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores separados por tabuladores (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valores separados por tabuladores" #~ msgid "Comma Separated Values" #~ msgstr "Valores separados por vírgulas" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensión descoñecida: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Datos IR do PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Datos IR do Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Datos UV do Turbomole (espectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Datos CD do Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Formato dos datos" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato:" #~ msgid "Load Spectral Data" #~ msgstr "Cargar datos espectrais" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "O ficheiro CD do Turbomole está formatado incorrectamente: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato TIFF" # skip-rule: PT-2010-window #~ msgid "Windows Bitmap" #~ msgstr "Bitmap de Windows" #~ msgid "Portable Pixmap" #~ msgstr "Mapa de Píxeis Portábel" #~ msgid "X11 Bitmap" #~ msgstr "Mapa de bits de X11" #~ msgid "X11 Pixmap" #~ msgstr "Mapa de píxeles de X11" #~ msgid "Save Spectra Image" #~ msgstr "Gardar a imaxe espectral" #~ msgid "&Advanced <<" #~ msgstr "&Avanzado <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanzado >>" #~ msgid "&Spectra..." #~ msgstr "&Espectros..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiza datos espectrais obtidos de cálculos químicos cuánticos" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Análise vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "Non existe ningún desprazamento por vibración." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualiza os modos de vibración obtidos de cálculos químicos cuánticos" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ordenando %1 vibracións segundo a frecuencia..." #~ msgid "Super Cell Builder..." #~ msgstr "Construtor de super celas..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este documento actualmente é unha molécula isolada, debe crear unha cela " #~ "unidade." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Constrúe e mostra super celas cristalográficas" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitais moleculares..." #~ msgid "Orbitals" #~ msgstr "Orbitais" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nada" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidade electrónica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Erro: tipo indefinido" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculando o cubo de VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando o OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcula orbitais moleculares e outras superficies" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Non se inicializou correctamente o widget GL para poder gravar un vídeo" #~ msgid "GL widget has no molecule" #~ msgstr "O widget Gl non ten ningunha molécula" #~ msgid "Building video " #~ msgstr "A construír o vídeo " #~ msgid "Could not run mencoder." #~ msgstr "Non foi posíbel executar o mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Definir as proporcións" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "A escena actual do Avogadro ten %1x%2 píxeles polo que ten unhas " #~ "proporcións de %3.\n" #~ "Pode manter este valor, por exemplo para empregar o POV-Ray para xerar " #~ "unha imaxe de %4x1000 píxeles, ou pode introducir calquera outro valor " #~ "positivo,\n" #~ "por exemplo 1 se vai empregar o POV-Ray para xerar unha imaxe cadrada, " #~ "como de 1000x1000 píxeles." #~ msgid "Connect" #~ msgstr "Conectar" #~ msgid "Disconnect" #~ msgstr "Desconectar" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Seguimento coa Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Segue o movemento empregando mandos sen fíos da Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "O contexto de OpenGL non é válido.\n" #~ "Ou hai algo completamente errado da configuración de OpenGL (pode " #~ "executar algún programa OpenGL?) ou atopou un erro." #~ msgid "Debug Information" #~ msgstr "Información de depuración" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Tamaño da vista: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Átomos: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: o índice %1 está fóra do alcance." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Non se permite ler de ficheiros do tipo «%1»." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Non se permite ler os ficheiros do tipo do «%1»." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Fallou a lectura da molécula co índice %1 do ficheiro «%2»." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: o índice %1 está fóra do alcance." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Non se permite escribir de ficheiros do tipo «%1»." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Non se permite escribir de ficheiros do tipo do «%1»." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Non foi posíbel abrir o ficheiro «%1» para lectura" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Fallou a substitución da molécula co índice %1 no ficheiro «%2»." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Non foi posíbel abrir o ficheiro %1 para lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Non foi posíbel abrir o ficheiro «%1» para escribir nel." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Fallou a garda do ficheiro de molécula: non foi posíbel cambiar o nome do " #~ "ficheiro orixinal." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Fallou a garda do ficheiro de molécula: non foi posíbel cambiar o nome do " #~ "novo ficheiro." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Fallou a garda do ficheiro de molécula: non foi posíbel borrar o ficheiro " #~ "vello." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Fallou a escrita dunha molécula no ficheiro «%1». Fallou a función do " #~ "OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Non foi posíbel abrir o ficheiro «%1» para escribir nel." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Fallou a escrita dos confórmeros no ficheiro «%1»." #~ msgid "Molecule %1" #~ msgstr "Molécula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motor de Python descoñecido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: comprobando " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " , o script non ten definida a clase «Engine»" #~ msgid " - no module" #~ msgstr " , non hai módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensión descoñecida de Python" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: comprobando " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " , o script non ten definida a clase «Extension»" #~ msgid "Unknown Python Tool" #~ msgstr "Utilidade descoñecida de Python" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: comprobando " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " , o script non ten definida a clase «Tool»" #~ msgid "Tools" #~ msgstr "Utilidades" #~ msgid "Align:" #~ msgstr "Aliñar:" #~ msgid "Everything" #~ msgstr "Todo" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Non foi posíbel configurar o campo de forzas..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Núm. de restricións: %1" #~ msgid "Steps per Update:" #~ msgstr "Pasos por actualización:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinámica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinámica molecular (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Os átomos fixos poden moverse" #~ msgid "Ignored atoms are movable" #~ msgstr "Os átomos ignorados poden moverse" #~ msgid "AutoOpt Molecule" #~ msgstr "Optimizar automaticamente a molécula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimización automática da xeometría molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuración da optimización" #~ msgid "Auto Rotation Tool" #~ msgstr "Utilidade de rotación automática" #~ msgid "x rotation:" #~ msgstr "Rotación en X:" #~ msgid "x rotation" #~ msgstr "rotación en X" #~ msgid "y rotation:" #~ msgstr "Rotación en Y:" #~ msgid "y rotation" #~ msgstr "rotación en y" #~ msgid "z rotation:" #~ msgstr "Rotación en Z:" #~ msgid "z rotation" #~ msgstr "rotación en Z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotación automática das moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Configuración da rotación automática" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Lonxitude do enlace: %L1" #~ msgid " Show Angles" #~ msgstr " Mostrar os ángulos" #~ msgid "Snap-to Threshold: " #~ msgstr "Axustar ao límite: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipular o enlace central" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulación de lonxitudes, ángulos e torsións de enlace" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Configuración da manipulación de enlaces" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distancia (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distancia (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Ángulo diedro: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distancia(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mide as lonxitudes, ángulos e diedros dos enlaces" #~ msgid "Draw Bond" #~ msgstr "Debuxar un enlace" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Debuxar e editar átomos e enlaces" #~ msgid "Draw Settings" #~ msgstr "Configuración do debuxo" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Traslade, rote e axuste os átomos e fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Configuración da manipulación" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Traslade, rote e amplíe a vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuración da navegación" #~ msgid "Selection Mode:" #~ msgstr "Modo de selección:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/Enlace" #~ msgid "Residue" #~ msgstr "Residuo" #~ msgid "Change color of the atom" #~ msgstr "Cambiar a cor do átomo" #~ msgid "Change label of the atom" #~ msgstr "Cambiar a etiquetas do átomo" #~ msgid "Change label of the bond" #~ msgstr "Cambiar a etiquetas do enlace" #~ msgid "Change radius of the atom" #~ msgstr "Cambiar o raio do átomo" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Novo raio, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Escolle átomos, residuos e moléculas" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Lonxitude do enlace" #~ msgid "Dihedral Angle" #~ msgstr "Ángulo diedro" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor da matriz Z..." #~ msgid "Z-Matrix" #~ msgstr "Matriz Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crear/Editar unha matriz Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configuración da matriz Z" #~ msgid "Color residues by:" #~ msgstr "Cor dos residuos segundo:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicidade" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos cartesianos" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos ortogonais" #~ msgid "Axis 1:" #~ msgstr "Eixo 1:" #~ msgid "Axis 2:" #~ msgstr "Eixo 2:" #~ msgid "Axis 3:" #~ msgstr "Eixe %1" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Preservar as normas dos vectores" #~ msgid "Atom Radius:" #~ msgstr "Raio atómico:" #~ msgid "Bond Radius:" #~ msgstr "Raio do enlace:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom Vector" #~ msgstr "Vector personalizado" #~ msgid "Custom:" #~ msgstr "Personalizado:" #~ msgid "Cut-off radius:" #~ msgstr "Raio de corte:" #~ msgid "Cut-off angle:" #~ msgstr "Ángulo de corte:" #~ msgid "Rendering Engine:" #~ msgstr "Motor de renderización:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Texto:" #~ msgid "Symbol & Number in Group" #~ msgstr "Símbolo e número nun grupo" #~ msgid "Symbol & Atom number" #~ msgstr "Símbolo e número atómico" #~ msgid "Residue number" #~ msgstr "Número do residuo" #~ msgid "Custom data" #~ msgstr "Datos personalizados" #~ msgid "Change Font" #~ msgstr "Cambiar o tipo de letra" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Cambio de etiqueta:" #~ msgid "Bond length" #~ msgstr "Lonxitude do enlace" #~ msgid "Bond number" #~ msgstr "Número do enlace" #~ msgid "Bond order" #~ msgstr "Orde do enlace" #~ msgid "Radius:" #~ msgstr "Raio:" #~ msgid "Include Nitrogens" #~ msgstr "Incluír os nitróxenos" #~ msgid "VdW Opacity:" #~ msgstr "Opacidade de VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Debuxar:" #~ msgid "Fill" #~ msgstr "Encher" #~ msgid "Points" #~ msgstr "Puntos" #~ msgid "Draw Box:" #~ msgstr "Caixa de debuxo:" #~ msgid "Mapped Colors" #~ msgstr "Cores mapeadas" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostrar os átomos" #~ msgid "Animate Trajectory" #~ msgstr "Animas a traxectoria" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgid "Save as .avi..." #~ msgstr "Gardar como .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ, coords only" #~ msgstr "XYX, só as coordenadas" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada de GAMESS núm. 2" #~ msgid "Priroda Input" #~ msgstr "Entrada de Priroda" #~ msgid "Apply Changes" #~ msgstr "Aplicar as modificacións" #~ msgid "Cut All" #~ msgstr "Cortar todo" #~ msgid "Paste to the End" #~ msgstr "Pegar até o final" #~ msgid "(None)" #~ msgstr "(Ningunha)" #~ msgid "Sort by " #~ msgstr "Ordenar segundo " #~ msgid "Number of atoms:" #~ msgstr "Número de átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Número de enlaces rotacionais:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar o átomo" #~ msgid "Fix Atom" #~ msgstr "Fixar o átomo" #~ msgid "Fix Atom X" #~ msgstr "Fixar o átomo X" #~ msgid "Fix Atom Y" #~ msgstr "Fixar o átomo Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixar o átomo Z" #~ msgid "Torsion angle" #~ msgstr "Ángulo de torsión" #~ msgid "Save" #~ msgstr "Gardar" #~ msgid "Load" #~ msgstr "Cargar" #~ msgid "Atomic &identites:" #~ msgstr "&Identidades atómicas" #~ msgid "by arbitrary vector" #~ msgstr "segundo un vector arbitrario" #~ msgid "Translation vector:" #~ msgstr "Vector de translación :" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Unidades do vector :" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "&Translate" #~ msgstr "&Transladar" #~ msgid "All" #~ msgstr "Todos" #~ msgid "File Import..." #~ msgstr "Importar un ficheiro..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Tenta ver os enlaces?" #~ msgid "Setup Force Field" #~ msgstr "Configurar o campo de forzas" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Cantidade de pasos:" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Hélice alfa" #~ msgid "Beta Sheet" #~ msgstr "Folla beta" #~ msgid "Pi Helix" #~ msgstr "Hélice Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residuos:" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avanzado" #~ msgid "Grid" #~ msgstr "Grella" #~ msgid "POV-Ray Export" #~ msgstr "Exportar a POV-Ray" #~ msgid "Select..." #~ msgstr "Escoller..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "qwe,+ r¡v153" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Define a cor de fondo como transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparencia alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Debuxa a molécula directamente empregando a liña de ordes do POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Mantén a fonte do POV-Ray tras completar o debuxo" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Manter a fonte do POV-Ray tras debuxar" #~ msgid "Path:" #~ msgstr "Ruta:" #~ msgid "Abinit Input" #~ msgstr "Entrada de Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesiano (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reducido" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerancia nas forzas (Ha/bohr) :" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Número de bandas:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Wave Function norm" #~ msgstr "Norma da función de onda" #~ msgid "Relative Force" #~ msgstr "Forza relativa" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconductor" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - ningún ión móbil " #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS con enerxía" #~ msgid "# Geometrical time steps:" #~ msgstr "# Intervalos de tempo xeométricos:" #~ msgid "Compute..." #~ msgstr "Calcular..." #~ msgid "Basics" #~ msgstr "Fundamentos" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Engade á liña de título do ficheiro de entrada o que escriba, para " #~ "servirlle\n" #~ "de información." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estilo Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Consistente coa polarización de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Consistente coa correlación de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funcións de correlación do core" #~ msgid "Diffuse functions" #~ msgstr "Funcións difusas" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directo" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Executa en paralelo cando se poida, pero só se pode para cálculos de " #~ "funcións\n" #~ "de onda SCF e DFT. A versión actual de Dalton só soporta MPI e debe\n" #~ "estar compilado e instalado correctamente. O número de nodos defínese " #~ "empregando\n" #~ "a opción «-N #» cando se executa o script «dalton»." #~ msgid "Parallel" #~ msgstr "Paralelo" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Especificación da grella" #~ msgid "Partitioning Scheme:" #~ msgstr "Esquema de particionamento:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (orixinal)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Calidade da grella:" #~ msgid "coarse" #~ msgstr "groseira" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fino" #~ msgid "ultrafine" #~ msgstr "ultrafino" #~ msgid "Radial Scheme:" #~ msgstr "Esquema radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostrar todas as funcionais" #~ msgid "Property:" #~ msgstr "Propiedade:" #~ msgid "Polarizability" #~ msgstr "Polarizabilidade" #~ msgid "Frequency Dependent" #~ msgstr "Dependente da frecuencia" #~ msgid "No. excitations:" #~ msgstr "Núm. excitacións:" #~ msgid "EFP Matches" #~ msgstr "Coincidencias EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta do grupo:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuración &avanzada" #~ msgid "Hessian" #~ msgstr "Hessiano" #~ msgid "Stat Point" #~ msgstr "Punto de estado" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Estimación do OM" #~ msgid "Misc" #~ msgstr "Diversos" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funcións de polarización de átomos pesados:" #~ msgid "Read" #~ msgstr "Ler" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Orbital S difuso nos átomos pesados" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Orbital L difuso nos átomos pesados" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valencia dupla zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "DZ de Dunning/Hay" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valencia tripla zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valencia SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valencia de Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo de ECP:" #~ msgid "Default" #~ msgstr "Predeterminado" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funcións de polarización de átomos pesados:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Funcións de polarización dos átomos lixeiros:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Número máximo de iteracións SCF:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Marcha" #~ msgid "Saddle Point" #~ msgstr "Punto de cadeira" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradiente extremo" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Momento de transición radiativa" #~ msgid "Spin Orbit" #~ msgstr "Orbita de spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo eléctrico finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimización global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimización FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensidades de Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ningún (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo de SCF:" #~ msgid "Localization Method:" #~ msgstr "Método de localización:" #~ msgid "Exec Type:" #~ msgstr "Tipo de execución:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinante do Lab. de Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espazo activo múltiplo restrinxido pola ocupación" #~ msgid "CI Singles" #~ msgstr "CI individuais" #~ msgid "Full Second Order CI" #~ msgstr "CI completo de segunda orde" #~ msgid "General CI" #~ msgstr "CI xeral" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC linearizada" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC con pares" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC con individuais e pares" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execución normal" #~ msgid "Check" #~ msgstr "Verificar" #~ msgid "Debug" #~ msgstr "Depurar" #~ msgid "Molecule Charge:" #~ msgstr "Carga da molécula:" #~ msgid "Run Type:" #~ msgstr "Tipo de execución:" #~ msgid "Use MP2" #~ msgstr "Empregar MP2" #~ msgid "Use DFT" #~ msgstr "Empregar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Número de variábeis da matriz Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordo do eixo principal:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenadas cartesiana únicas" #~ msgid "Hilderbrant internals" #~ msgstr "Internas de Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matriz Z do MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Empregar simetría durante o cálculo" #~ msgid "Point Group:" #~ msgstr "Grupo puntual:" #~ msgid "Minutes" #~ msgstr "Minutos" #~ msgid "Hours" #~ msgstr "Horas" #~ msgid "Days" #~ msgstr "Días" #~ msgid "Weeks" #~ msgstr "Semanas" #~ msgid "Years" #~ msgstr "Anos" #~ msgid "Millenia" #~ msgstr "Milenios" #~ msgid "MegaWords" #~ msgstr "Megapalabras" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "Gigapalabras" #~ msgid "GigaBytes" #~ msgstr "Gigabytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forzar o uso de métodos paralelos" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producir ficheiros «core» ao interromper" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Método de diagonalización:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipo de repartición da carga en paralelo" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Seguinte valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Usar a representación externa dos datos nas mensaxes" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "OM lido ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "OM gardado (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omitir" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotar os orbitais alfa e beta" #~ msgid "Print the Initial Guess" #~ msgstr "Mostrar a estimación inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interface de GAMESS para outros códigos" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forzar unha verificación do tipo de execución" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versión do UK)" #~ msgid "Solvate with Water" #~ msgstr "Solvatar con auga" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Xerar orbitais UHF naturais" #~ msgid "Direct SCF" #~ msgstr "SCF directo" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calcular só o modificado na matriz de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercambio de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercambio de Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlación de Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlación de Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Intercambio de Slater + correlación de VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercambio de BECKE + correlación de VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercambio de BECKE + correlación de LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercambio de Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercambio de Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Correlación progresiva de un parámetro" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + correlación de Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + correlación de OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: intercambio de BECKE + correlación de OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: intercambio de GILL + correlación de VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: intercambio de GILL + correlación de LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: intercambio de PBE + correlación de VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: intercambio de PBE + correlación de LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: intercambio de PBE + correlación de OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercambio de HF e BECKE + correlación de LYP" #~ msgid "Grid-Free" #~ msgstr "Sen grella" #~ msgid "AO Integral Storage" #~ msgstr "Almacén integral AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicado en cada nodo" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuído por todos os nodos" #~ msgid "words" #~ msgstr "palabras" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcular as propriedades MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Límite de retención integral:" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar orbitais localizados" #~ msgid "# of Core Electrons:" #~ msgstr "Número de electróns do núcleo:" #~ msgid "Transformation Method" #~ msgstr "Método de transformación" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenación binaria en dúas fases" #~ msgid "Segmented Transformation" #~ msgstr "Transformación segmentada" #~ msgid "Numeric" #~ msgstr "Numérico" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiana dupla diferenciada" #~ msgid "Print Internal Force Constants" #~ msgstr "Mostrar as constantes de forma interna" #~ msgid "Displacement Size:" #~ msgstr "Tamaño do desprazamento:" #~ msgid "Purify Hessian" #~ msgstr "Purificar a hessiana" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessiana inicial" #~ msgid "Guess (+ define)" #~ msgstr "Estimar (+ definir)" #~ msgid "Read (from $HESS)" #~ msgstr "Ler (de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualizar o tamaño do paso" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Mostrar os orbitais en cada iteración" #~ msgid "Stationary Point" #~ msgstr "Punto estacionario" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimización da función racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximación cadrática" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimización restrinxida" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcular a hessiana a cada:" #~ msgid "Follow Mode:" #~ msgstr "Modo de seguimento:" #~ msgid "GAMESS-UK Input" #~ msgstr "Entrada do GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Entrada do GAMESS-UK xerada por Avogadro" #~ msgid "Transition State Search" #~ msgstr "Busca do estado de transición" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriz Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "No modo directo as integrais non se gardan no disco senón que se " #~ "recalculan segundo fagan falla.\n" #~ "Nos ordenadores modernos, con procesadores rápidos e discos lentos, o " #~ "directorio xeralmente é máis rápido." #~ msgid "Run in direct mode:" #~ msgstr "Executar no modo directo:" #~ msgid "Gaussian Input" #~ msgstr "Entrada do Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estándar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punto de control:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriz Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada do MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versión do Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Cuarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada de NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada do Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Cargar sombreadores" #~ msgid "Shader Name:" #~ msgstr "Nome da sombra:" #~ msgid "Vertex Shader:" #~ msgstr "Sombra de vértices:" #~ msgid "Fragment Shader:" #~ msgstr "Sombra por anacos:" #~ msgid "Assign Shader" #~ msgstr "Asignar un sombreador" #~ msgid "Display Type:" #~ msgstr "Tipo de visualización:" #~ msgid "Font:" #~ msgstr "Tipo de letra:" #~ msgid "Change Font..." #~ msgstr "Cambiar o tipo de letra..." #~ msgid "New..." #~ msgstr "Novo..." #~ msgid "Rename..." #~ msgstr "Renomear..." #~ msgid "&Schemes:" #~ msgstr "E&squemas:" #~ msgid "&DPI:" #~ msgstr "&PPP:" #~ msgid "&Width:" #~ msgstr "&Largura:" #~ msgid "&Height" #~ msgstr "&Altura" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "polg" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Usa un valor optimizado para o tamaño da letra no canto do indicado polo " #~ "esquema (os tamaños da pantalla non se traducen ben a puntos da imaxe!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "&Axustar automaticamente o tamaño da letra" #~ msgid "Spectra Tab" #~ msgstr "Lapela de espectros" #~ msgid "&Gaussian Width:" #~ msgstr "Largura do &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "&Etiquetar os picos" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipo de forza rotatoria:" #~ msgid "Energy units:" #~ msgstr "Unidades de enerxía:" #~ msgid "Density units" #~ msgstr "Unidades de densidade" #~ msgid "Fermi Energy: " #~ msgstr "Enerxía de Fermi: " #~ msgid "States / Cell" #~ msgstr "Estados / Cela" #~ msgid "States / Atom" #~ msgstr "Estados / Átomo" #~ msgid "States / Valence electron" #~ msgstr "Estados / Electrón de valencia" #~ msgid "Fermi energy at zero" #~ msgstr "Enerxía de Fermi no cero" #~ msgid "Scale integrated DOS" #~ msgstr "Escalar o DOS integrado" #~ msgid "Show integrated DOS" #~ msgstr "Mostrar o DOS integrado" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unidades do eixo &Y:" #~ msgid "Scaling Type:" #~ msgstr "Tipo de escalado:" #~ msgid "Relative" #~ msgstr "Relativo" #~ msgid "Laser Wavenumber:" #~ msgstr "Número de onda do láser:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Largura do &Gaussian:" #~ msgid "Reset &Plot Axes" #~ msgstr "Restaurar os &eixos do debuxo" #~ msgid "Label Peaks:" #~ msgstr "Etiquetar os picos:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibracións moleculares" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Actividade (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Mostrar os espectros..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "as vibracións de maior frecuencia exhibirán movementos máis rápidos" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocidade da animación definida pola frecuencia" #~ msgid "Display force &vectors" #~ msgstr "Mostrar os &vectores de forza" #~ msgid "&Normalize displacements" #~ msgstr "&Normalizar os desprazamentos" #~ msgid "&Recalculate All" #~ msgstr "&Recalcular todo" #~ msgid "Default &Quality:" #~ msgstr "&Calidade predeterminada:" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostrar os orbitais ocupados primeiro" #~ msgid "Surface Type:" #~ msgstr "Tipo de superficie:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baixa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Media" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Moi alta" #~ msgid "Isosurface cutoff value" #~ msgstr "Valor límite da isosuperficie" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Na visualización do tipo:" #~ msgid "New Display" #~ msgstr "Nova visualización" #~ msgid "Advanced..." #~ msgstr "Avanzado..." #~ msgid "Display visual cues" #~ msgstr "Mostrar as axudas visuais" #~ msgid "Python Settings" #~ msgstr "Configuración de Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor da matriz Z" OpenChemistry-avogadrolibs-ceb949f/i18n/he.po000066400000000000000000010010161516317240700212040ustar00rootroot00000000000000# Hebrew translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-07-01 18:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Hebrew \n" "Language: he\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=4; plural=(n == 1) ? 0 : ((n == 2) ? 1 : ((n > 10 && " "n % 10 == 0) ? 2 : 3));\n" "X-Generator: Weblate 5.13-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "בלתי ידוע" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "מימן" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "הליום" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "ליתיום" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "בריליום" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "בור" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "פחמן" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "חנקן" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "חמצן" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "פלואור" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "נאון" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "נתרן" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "מגנזיום" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "אלומיניום" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "צורן" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "זרחן" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "גופרית" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "כלור" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "ארגון" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "אשלגן" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "סידן" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "סקנדיום" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "טיטניום" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "ונדיום" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "כרום" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "מנגן" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "ברזל" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "קובלט" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "ניקל" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "נחושת" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "אבץ" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "גליום" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "גרמניום" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "ארסן" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "סלניום" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "ברום" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "קריפטון" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "רובידיום" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "סטרונציום" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "איטריום" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "זירקוניום" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "ניאוביום" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "מוליבדן" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "טכנציום" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "רותניום" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "רודיום" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "פלדיום" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "כסף" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "קדמיום" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "אינדיום" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "בדיל" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "אנטימון" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "טלור" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "יוד" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "קסנון" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "צסיום" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "באריום" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "לנתן" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "צריום" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "פרסאודימיום" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "נאודימיום" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "פרומטיום" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "סמריום" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "אירופיום" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "גדוליניום" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "טרביום" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "דיספרוסיום" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "הולמיום" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "ארביום" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "תליום" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "איטרביום" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "לוטציום" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "הפניום" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "טנטלום" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "טונגסטן" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "רניום" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "אוסמיום" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "אירידיום" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "פלטינה" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "זהב" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "כספית" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "תליום" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "עופרת" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "ביסמות" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "פולוניום" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "אסטטין" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "ראדון" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "פרנציום" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "רדיום" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "אקטיניום" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "תוריום" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "פרוטקטיניום" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "אורניום" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "נפטוניום" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "פלוטוניום" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "אמריציום" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "קוריום" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "ברקליום" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "קליפורניום" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "איינשטייניום" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "פרמיום" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "מנדלביום" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "נובליום" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "לורנציום" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "רתרפורדיום" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "דובניום" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "סיבורגיום" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "בוהריום" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "האסיום" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "מייטנריום" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "דרמשטטיום" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "רנטנגניום" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "קופרניקיום" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "ניהוניום" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "פלרוביום" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "מוסקוביום" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "ליברמוריום" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "טנסין" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "אוגאנסון" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "כדור-מקל" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "סרט" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "כוח" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "תווית" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "משטחים" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "ספרות ואן דר ואלס" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "ספרות ואן דר ואלס" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "קווי מיתאר" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "צבע מותאם אישית:" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "מרנדר מבנה שניוני של חלבון" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "סרט" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "סרט" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "סרט" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "הרחבות" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "מרחק" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "אבוגדרו" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "מימן" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "קבצי וידאו (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "שמור קובץ" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "מבנה שניוני" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "אבוגדרו" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "שמור קובץ וידאו" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,ofir, ,Launchpad " "Contributions:,dlonie,ofir, ,Launchpad Contributions:,Avogadro " "Team,dlonie,ofir, ,Launchpad Contributions:,Avogadro " "Team,dlonie,ofir, ,Launchpad Contributions:,Avogadro " "Team,dlonie,ofir, ,Launchpad Contributions:,Avogadro Team,Moshe Jonathan " "Gordon Radian,dlonie,ofir, ,Launchpad Contributions:,Avogadro Team,Moshe " "Jonathan Gordon Radian,dlonie,ofir, ,Launchpad Contributions:,Avogadro " "Team,Moshe Jonathan Gordon Radian,david volokita,dlonie,ofir, ,Launchpad " "Contributions:,Avogadro Team,Moshe Jonathan Gordon Radian,david " "volokita,dlonie,ofir, ,Launchpad Contributions:,Avogadro Team,Moshe Jonathan " "Gordon Radian,david volokita,dlonie,ofir" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,dvolokita@gmail.com,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,dvolokita@gmail.com,loniedavid@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,dvolokita@gmail.com,loniedavid@gmail.com," #, fuzzy #~| msgid "Select Atom Labels Color" #~ msgid "Set Color..." #~ msgstr "בחר צבע לתוויות אטומים" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "צבע על פי מטען חלקי" #, fuzzy #~ msgid "By Distance" #~ msgstr "צבע על פי מרחק" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "מרנדר מבנה שניוני של חלבון" #, fuzzy #~ msgid "No" #~ msgstr "נאון" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "משטחים" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "צבע על פי אינדקס (אדום, כתום, צהוב, ירוק, כחול, סגול)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "צבע על פי מטען חלקי אטומי (כחול = חיובי, אדום = שלילי)." #~ msgid "Set custom colors for objects" #~ msgstr "הגדר צבעים מותאמים אישית לפריטים" #~ msgid "Color by distance from the first atom." #~ msgstr "צבע על פי מרחק מהאטום הראשון." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "צבע על פי יסוד (פחמן = אפור, חמצן = אדום, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "צבע על פי משקע (סוג חומצת אמינו, הידרופוביות, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "דפוס SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "צבע הדגשה:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "צבע על פי דפוס SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "הדגש מאפיינים ספציפיים התואמים דפוס SMARTS." #~ msgid "Ununtrium" #~ msgstr "אונונטריום" #~ msgid "Ununpentium" #~ msgstr "אונונפנטיום" #~ msgid "Ununseptium" #~ msgstr "אונונספטיום" #~ msgid "Ununoctium" #~ msgstr "אונונאוקטיום" #~ msgid "Engines" #~ msgstr "מנועים" #~ msgid "Axes" #~ msgstr "צירים" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "מרנדר פרימיטיבים בעזרת כדורים (אטומים) ומקלות (קשרים)" #~ msgid "Hydrogen Bond" #~ msgstr "קשר מימן" #~ msgid "Polygon" #~ msgstr "פוליגון" #~ msgid "Ring" #~ msgstr "טבעת" #~ msgid "Simple Wireframe" #~ msgstr "מיתאר פשוט" #~ msgid "Stick" #~ msgstr "מקל" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "הוספת סיומת .avi" #~ msgid "Must specify a valid .avi file name" #~ msgstr "יש לציין שם קוץ .avi תקין" #~ msgid "Could not determine format from filename: %1" #~ msgstr "לא ניתן לזהות את מבנה הקובץ: %1" OpenChemistry-avogadrolibs-ceb949f/i18n/hi.po000066400000000000000000010013301516317240700212070ustar00rootroot00000000000000# Hindi translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Atharva Kanherkar , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-01-09 06:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Hindi \n" "Language: hi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "पृष्ठचित्रित फ़ाइल प्रारूप में कोई मोलेक्यूल सेट नहीं!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "पृष्ठचित्रित फ़ाइल प्रारूप में कोई फ़ाइल नाम नहीं सेट किया गया!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "हाइड्रोजन" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "हीलियम" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "लीथियम" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "बेरीलियम" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "बोरॉन" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "कार्बन" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "नाइट्रोजन" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "आक्सीजन" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "फ्लोरीन" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "नियॉन" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "सोडियम" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "मैग्नीशियम" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "एल्यूमिनियम" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "सिलिकॉन" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "फॉस्फोरस" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "सल्फर" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "क्लोरीन" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "ऑर्गन" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "पोटेशियम" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "केल्शियम" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "स्कैन्डियम" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "टाइटेनियम" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "वनेडियम" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "क्रोमियम" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "मैंगनीज़" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "लोहा" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "कोबॉल्ट" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "निकल" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "तांबा" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "ज़िंक" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "गैलियम" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "जर्मेनियम" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "ऑर्सेनिक" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "सेलेनियम" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "ब्रोमीन" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "क्रिप्टॉन" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "रूबीडियम" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "स्ट्रांशियम" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "विट्रियम" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "ज़िरकोनियम" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "नियोबियम" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "मॉलीब्डेनम" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "टेक्नेशियम" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "रुदेनियम" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "रोडियम" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "पलेडियम" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "चाँदी" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "केडमियम" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "इंडियम" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "टिन" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "एंटिमनी" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "टेलूरियम" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "आयोडीन" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "ज़ेनॉन" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "बेरियम" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "लैंथेनम" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "सीरियम" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "प्रसोडमियम" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "नियोडमियम" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "प्रोमेथियम" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "समरियम" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "यूरोपियम" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "गैडोलिनियम" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "टर्बियम" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "डायस्प्रोसियम" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "होलमियम" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "एरबियम" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "थूलियम" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "येटरबियम" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "ल्यूटेशियम" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "हाफनियम" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "टैंटेलम" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "टंग्सटन" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "रेनियम" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "ऑस्मियम" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "इरिडियम" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "प्लेटिनम" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "सोना" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "मर्क्यूरी" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "थालियम" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "सीसा लीड 3 - कैलिओप" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "बिस्मथ" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "पोलोनियम" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "अस्टाटाइन" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "राडोन" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "फ्रांसियम" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "रेडियम" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "एक्टीनियम" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "थोरियम" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "प्रोटेक्टीनियम" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "यूरेनियम" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "नेप्च्यूनियम" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "प्लूटोनियम" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "अमेरिसियम" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "क्यूरियम" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "बर्केलियम" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "केलिफोर्नियम" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "आइंस्टीनियम" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "फर्मियम" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "मेंडेलेवियम" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "नोबेलियम" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "लारेंसियम" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "रदरफोर्डियम" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "डब्नियम" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "सीबोर्जियम" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "बोरियम" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "हासियम" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "मेटनेरियम" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "डार्मस्टेडियम" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "रोंटजेनियम" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "शीर्षकहीन" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "मनपसंद रंग:" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "आंशिक चार्ज द्वारा रंग" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "हाइड्रोजन" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "दूरी के अनुसार रंग" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "हाइड्रोजन" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "हाइड्रोजन" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "आंशिक चार्ज द्वारा रंग" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Geoff Hutchison, ,Launchpad Contributions:,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Rahul Krishna,dlonie, ,Launchpad Contributions:,Avogadro " "Team,Geoff Hutchison,Rahul Krishna,dlonie, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Rahul Krishna,dlonie" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,rahul.krishna11@gmail.com,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,rahul.krishna11@gmail.com,loniedavid@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,rahul.krishna11@gmail.com,loniedavid@gmail.com" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "आंशिक चार्ज द्वारा रंग" #, fuzzy #~ msgid "By Distance" #~ msgstr "दूरी के अनुसार रंग" #, fuzzy #~ msgid "No" #~ msgstr "नियॉन" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "सूचकांक से रंग (लाल, नारंगी, पीला, हरा, नीला, बैंगनी)" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "परमाणु आंशिक चार्ज द्वारा रंग (नीला = सकारात्मक लाल= नकारात्मक)" #~ msgid "Set custom colors for objects" #~ msgstr "वस्तुओं के लिए मनपसंद रंग निर्धारित करें" #~ msgid "Color by distance from the first atom." #~ msgstr "पहली परमाणु से दूरी के अनुसार रंग." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "तत्व द्वारा रंग (कार्बन = भूरे रंग के, ऑक्सीजन = लाल, ...)." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS प्रतिमान" #~ msgid "Highlight Color:" #~ msgstr "उभारने का रंग:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "SMARTS पैटर्न द्वारा रंग" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "उभारें विशेष सुविधाओं को, जो किसी स्मर्ट्स पत्तेर्ण की तरह के हों" #~ msgid "Ununtrium" #~ msgstr "उनुन्ट्रियम" #~ msgid "Ununpentium" #~ msgstr "उनुनपेंटियम" #~ msgid "Z Matrix Editor" #~ msgstr "जेड मैट्रिक्स संपादक" OpenChemistry-avogadrolibs-ceb949f/i18n/hr.po000066400000000000000000011500131516317240700212230ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Milo Ivir , 2021, 2022, 2023, 2024, 2025, 2026. # Weblate Translation Memory , 2024, 2025, 2026. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-15 19:10+0000\n" "Last-Translator: Milo Ivir \n" "Language-Team: Croatian \n" "Language: hr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Skupni posao br. %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nije navedena nijedna poruka." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "rezultat skripta --print-options mora biti JSON objekt na najvišoj razini. " "Primljeno:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Vraćeno upozorenje o vrijednosti koja nije znakovni niz." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Član 'warnings' nije niz." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referentna datoteka '%1' ne postoji." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Greška pri popunjavanju datoteke %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Datoteka '%1' nije ispravna. Nedostaje znakovni niz 'contents' ili " "'filePath' članova." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Neispravan unos datoteke: ime datoteke/sadržaj nedostaju ili nisu znakovni " "nizovi:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Neispravan unos datoteke pri indeksu %1: Nije objekt." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' član nije niz." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' član nedostaje." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' član ne upućuje na jedan unos u 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' član mora biti znakovni niz." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Odgovor mora biti JSON objekt na najvišoj razini." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Rezultat skripta:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška u analiziranju pri %L1: '%2'\n" "Neformatirani JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri spremanju prikaza molekula u znakovni niz: Neprepoznat format " "datoteke: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Greška pri spremanju prikaza molekula u znakovni niz: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška pri generiranju cjson objekta. Greška u analiziranju pri %1: %2\n" "Neformatirani JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Greška pri generiranju cjson objekta: Analizirani JSON nije objekt:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Generator unosa (greška)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 generator ulaza" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Nastavi" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zatvori" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Nepoznato" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Sljedeća datoteka je promijenjena:\n" "\n" "%1\n" "\n" "Želiš li prepisati promjene kako bi se odrazila nova geometrija ili opcije " "posla?" msgstr[1] "" "Sljedeće datoteke su promijenjene:\n" "\n" "%1\n" "\n" "Želiš li prepisati promjene kako bi se odrazila nova geometrija ili opcije " "posla?" msgstr[2] "" "Sljedeće datoteke su promijenjene:\n" "\n" "%1\n" "\n" "Želiš li prepisati promjene kako bi se odrazila nova geometrija ili opcije " "posla?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Prepisati promijenjene datoteke unosa?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Došlo je do problema tijekom generiranja unosa:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Nema datoteka unosa za spremanje!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Povezivanje na MoleQueue nije moguće" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Povezivanje na MoleQueue server nije moguće. Osiguraj da radi i pokušaj " "ponovo." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Pošalji %1 izračun" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Posao neuspio" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Posao nije uspješno završen." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Skripta vraća upozorenja:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Sakrij &upozorenja" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Prikaži &upozorenja" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Dogodila se greška:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Odaberi ime datoteke rezultata" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Interna greška: tekstualni widget za ime datoteke „%1” nije pronađen" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Greška u rezultatu" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Neuspjelo pisanje u datoteku %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Odaberi direktorij rezultata" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktorij ne postoji!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktorij se ne može čitati!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Datoteka će se prepisati." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Datoteka se ne može promijeniti." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Datoteke unosa se ne mogu promijeniti zbog nepoznate greške." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Datoteke unosa se ne mogu promijeniti:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Datoteke unosa se ne mogu promijeniti:\n" "\n" "%1\n" "\n" "Upozorenja:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Upozorenje:\n" "\n" "%1\n" "\n" "Želiš li nastaviti?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Piši datoteke unosa" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Konfiguriraj posao" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Slanje posla na MoleQueue …" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Istek vremena za slanje posla" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadru je isteklo vrijeme čekanja na odgovor od MoleQueuea." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Čeka se završetak posla %1 „%2” …" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Prestani čekati" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Dohvaćanje podataka o završenom poslu …" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Istek vremena za preuzimanje posla" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadru je isteklo vrijeme čekanja za detalje o završenom poslu od " "MoleQueuea." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Greška pri slanju posla" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue je odbio posao: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nijedan program nije odabran." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Odaberi program iz popisa „Red i program”." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Klijent nije uspio poslati zadatak na MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Interna greška." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Nije moguće riješiti izbor programa. Ovo je greška." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat nije postavljena nijedna molekula!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat nije postavljen nijedan Io::FileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat nije postavljeno nijedno ime datoteke!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Rastavi vodoravno" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Rastavi okomito" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vodik" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helij" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litij" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilij" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Ugljik" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Dušik" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Kisik" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrij" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnezij" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminij" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicij" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sumpor" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalij" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcij" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandij" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadij" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Željezo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikal" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Bakar" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galij" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanij" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidij" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncij" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrij" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Cirkonij" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobij" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tehnecij" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenij" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodij" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladij" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmij" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indij" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Kositar" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cezij" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barij" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerij" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimij" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimij" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometij" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarij" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europij" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinij" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbij" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprozij" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmij" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbij" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulij" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbij" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutecij" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnij" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renij" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmij" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridij" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Živa" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talij" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonij" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francij" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radij" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinij" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torij" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinij" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranij" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunij" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonij" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americij" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kirij" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelij" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornij" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Ajnštajnij" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermij" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevij" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelij" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lorensij" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Raderfordij" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnij" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Siborgij" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Borij" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hasij" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Majtnerij" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmštatij" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenij" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernicij" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonij" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovij" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovij" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorij" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Pregledaj" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Odaberi datoteku:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Odaberi izvršnu datoteku:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Nije moguće pronaći odgovarajući čitač datoteka za odabranu datoteku." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Datotečni sufiks nedostaje, stoga se format ne može odrediti. Želiš li ga " "dodati?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Nije moguće pronaći odgovarajući pisač datoteka za odabrani format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "rutina" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "obraditi" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "čitača" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "čitati" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "pisača" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "pisati" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Pronađeno je više %1 koji mogu %2 ovaj format. Koji želiš da se koristi?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Sve datoteke" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Svi podržani formati" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Greška pri čitanju prikaza molekula: Neprepoznat format datoteke: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 poruka" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 upozorenje" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 greška" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri pisanju prikaza molekula u znakovni niz: Neprepoznat format " "datoteke: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Greška pri pisanju prikaza molekula u znakovni niz: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' nedostaje." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Opcija „%1” nije pronađena." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' nije znakovni niz za opciju „%1”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Osnova imena datoteka" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Jezgre procesora" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memorija" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Vrsta izračuna" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teorija" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Osnova" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Naboj" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Višekratnost" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Otapalo" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Model" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Korisničko ime" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Lozinka" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Neprepoznata vrsta opcije „%1” za opciju „%2”." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Greška pri postavljanju standardne vrijednosti za opciju „%1”. Loša vrsta " "widgeta." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Greška pri postavljanju standardne vrijednosti za opciju „%1”. Loša vrsta " "standardne vrijednosti:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Greška pri postavljanju standardne vrijednosti za opciju „%1”. Nije pronađen " "važeći indeks kombiniranog unosa iz vrijednosti:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Neobrađeni widget u collectOptions za opciju „%1”." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[nema molekule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Sloj %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kuglice i štapići" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Crteži" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Bliski kontakti" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristalna rešetka" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Oznake" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Štapić" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površine" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Nekovalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementi simetrije" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumeni" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žičani model" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Referentne osi" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Bez naslova" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Uredi molekulu" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Nije spremljeno" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Stvori novi prikaz" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodni sustav elemenata" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Modus paketa zahtijeva pixi datoteku, ali ona nije pronađena." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Greška pri pokretanju skripta „%1 %2”: Isteklo vrijeme čekanja na početak " "(%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Greška pri pokretanju skripta „%1 %2”: neuspelo pisanje u stdin (len=%3, " "zapisano %4 bajta, QProcess greška: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Greška pri pokretanju skripta „%1 %2”: Isteklo vrijeme čekanja na završetak " "(%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Greška pri pokretanju skripta „%1 %2”: Abnormalano stanje izlaska %3 (%4: " "%5)\n" "\n" "Rezultat:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Upozorenje „%1”" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Greška pri pisanju neobrađenog zahtjeva u stdin skripta (duljina=%1, " "zapisano %2 bajtova, greška QProcessa: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Pokretanje skripta nije uspelo." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Neočekivan prekid skripta." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Vrijeme izvršavanja skripta je isteklo." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Greška pri čitanju." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Greška pri pisanju." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Nepoznata greška." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificiraj slojeve" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Ukloni sloj" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Ukloni informacije sloja" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Dodaj sloj" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Dodaj informacije za sloj" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Promijeni sloj" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Dodaj atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Ukloni atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Izbriši atome" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Prilagodi vodike" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Promijeni elemente" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Promijeni element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Promijeni hibridizaciju atoma" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Promijeni formalni naboj atoma" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Promijeni boju atoma" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Promijeni boju ostatka" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Promijeni sloj atoma" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Dodaj vezu" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Uklonjene veze" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Izbriši veze" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Postavi redove veza" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Promijeni redove veza" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Aktualiziraj veze" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Aktualiziraj vezu" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Dodaj jediničnu ćeliju …" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Ukloni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Uredi jediničnu ćeliju" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Vrati atome u ćeliju" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Skaliraj volumen ćelije" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Izgradi super ćeliju" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli redukcija" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Okreni u standardnu orijentaciju" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reduciraj na primitivnu ćeliju" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Konvencionaliziraj ćeliju" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Simetriziraj ćeliju" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Ispuni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduciraj ćeliju na asimetričnu jedinicu" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Promijeni pozicije atoma" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Promijeni poziciju atoma" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Promijeni oznaku atoma" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Promijeni oznaku veze" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Promijeni odabir" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificiraj molekulu" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Postavke" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Izračunavanje …" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Preostalo je manje od jedne sekunde" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "Preostala je %n sekunda" msgstr[1] "Preostale su %n sekunde" msgstr[2] "Preostalo je %n sekundi" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "Preostala je %n minuta" msgstr[1] "Preostale su %n minute" msgstr[2] "Preostalo je %n minuta" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "Preostalo je 1 sat i %n minuta" msgstr[1] "Preostalo je 1 sat i %n minute" msgstr[2] "Preostalo je 1 sat i %n minuta" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "Preostao je %n sat" msgstr[1] "Preostala su %n sata" msgstr[2] "Preostalo je %n sati" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML blok." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Izvezi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Promijeni elemente …" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Izgradi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alkemija" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Promijeni elemente atoma." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Poravnaj" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Poravnaj molekule\n" "\n" "Lijeva tipka miša:\tOdaberi do dva atoma.\n" "\tPrvi atom je centriran pri izvoru.\n" "\tDrugi atom je poravnat na odabranu os.\n" "Desna tipka miša:\tPoništi poravnanje.\n" "Dvostruki klik:\tCentriraj atom pri izvoru." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Os:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Poravnaj pri izvoru" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Poravnaj na os" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centriraj atom pri izvoru." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Okreni molekulu kako bi se atom poravnao s navedenom osi." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Alat za poravnanje" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Poravnaj molekule na Kartezijevu os" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Pokreni APBS …" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Otvori datoteku rezultata …" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Unos" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Otvori datoteku rezultata" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX datotela (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO greška" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Greška pri čitanju datoteke strukture (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX greška" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Greška pri čitanju OpenDX datoteke: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Greška pri čitanju OpenDX datoteke: Nije pronađena nijedna kocka" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagiraj s APBS uslužnim programima." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Otvori PDB datoteku" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB datoteke (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Otvori PQR datoteku" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR datoteke (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Greška" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Greška pri pokretanju APBS-a: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Navedi PDB datoteku" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Uspjeh" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "%1 generirano" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Greška pri pokretanju PDB2PQR-a" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Spremi APBS datoteku unosa" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS unos (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Datoteka unosa zapisana u '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Nije moguće spremiti datoteku %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Prema prilagođenoj boji …" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Prema indeksu atoma …" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Prema udaljenosti …" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Prema elementu" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Prema lancu" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Prema djelomičnom naboju …" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Prema sekundardnoj strukturi" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Prema aminokiselini" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Prema Shapely shemi" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Vrućina" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Vruće" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Siva" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spektralno" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Hladno-toplo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Uravnoteženo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Plava-tamnocrvena" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Primijeni sheme boja na atome i ostatke." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Prikaz" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Boja atoma" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Boja ostataka" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Odaberi paletu boja" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Paleta boja:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Primijeni boje indeksa" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Primijeni boje naboja" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Primijeni boje udaljenosti" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Resetiraj boje atoma" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Primijeni prilagođene boje" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Primijeni prilagođenu boju ostataka" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Resetiraj boje ostataka" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Primijeni boje sekundarne strukture" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Primijeni boje aminokiselina" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Primijeni Shapely boje" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Primijeni boje" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Optimiraj automatski" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Alat za automatsku optimizaciju\t(%1)\n" "\n" "Funkcije navigacije pri kliku u prazan prostor.\n" "Lijeva tipka miša:\tOkreći prostor\n" "Srednja tipka miša:\tZumiraj prostor\n" "Desna tipka miša:\tPomiči prostor\n" "Dvostruki klik:\tResetiraj prikaz\n" "\n" "Prilikom trčanja:\n" "Lijeva tipka miša:\tKlikni i povuci atome za njihovo premještanje.\n" "Desna tipka miša:\tKlikni i povuci za okretanje atoma." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimiraj" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinamike" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Zadatak:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Vremenski korak:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Pokreni" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Prekini" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimiraj geometriju" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molekularna dinamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Alat za automatsku optimizaciju" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Interaktivna optimizacija molekulske geometrije" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Mjera atoma" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Mjera veza" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Neprozirnost" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Prikaži višestruke veze" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Prikaži vodike" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Iscrtaj atome kao sfere i veze kao valjke." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Upravljanje vezama" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Alat za upravljanje vezama\t(%1)\n" "\n" "Lijeva tipka miša:\tKlikni i povuci za okretanje prikaza.\n" "Srednja tipka miša:\tKlikni i povuci za povećanje ili smanjenje prikaza.\n" "Desna tipka miša:\tKlikni i povuci za pomicanje prikaza.\n" "Dvostruki klik:\tResetiraj prikaz.\n" "\n" "Lijeva tipka miša:\tKlikni i povuci na vezu za postavljanje ravnine " "upravljanja\n" "Lijeva tipka miša:\tKlikni i povuci jedan od atoma u vezi za mijenjanje " "kuta\n" "Desna tipka miša:\tKlikni i povuci jedan od atoma u vezi za mijenjanje " "duljine" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Alat za upravljanje vezama." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Alat koji se koristi za uređivanje geometrije molekula mijenjanjem duljina " "veza i kutova." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Poveži atome" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Prepoznaj redove veza" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Ukloni veze" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Konfiguriraj vezivanje …" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Poveži odabrane atome" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Veza" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Ukloni veze svih ili odabranih atoma." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Stvori veze između svih ili odabranih atoma." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Prepoznaj redove veza." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Vezivanje" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Izvrši operacije vezivanja." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Glavni lanac" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trag" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Cijev" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Vrpca" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Jednostavni crtež" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Crtež" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Uže" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Prikaz vrpci / crteža biomolekula." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Dodaj težište" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Dodaj središte mase" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Dodaj okomicu" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Težište" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Dodaj težišta i središte mase." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Maksimalna udaljenost:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Debljina linije:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Kontakt" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Ionski spoj" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulzivno" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Iscrtaj bliske kontakte između atoma." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Proširenja" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Skripta" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Greška pri čitanju datoteke rezultata „%1”:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Obrađuje se %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Postavi putanju do Python interpretera:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Odaberi Python verziju koja se koristi za pokretanje eksternih skripta.\n" "Avogadro se mora ponovo pokrenuti kako bi sve promjene stupile na snagu." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Skripta naredbi" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Pokreni eksterna skripta naredbi" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python postavke …" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Instaliraj Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python se koristi za mnoge Avogadro funkcije. Želiš li preuzeti Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Konfiguriraj Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Konfiguriraj Python okruženja." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Drugo …" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Ograničenja …" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Izračunaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Ograničenja" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Postavi ograničenja za optimizacije geometrije" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Udaljenost" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Kut" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Kut torzije" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Zamrzni atom" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Zamrzni os x" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Zamrzni os y" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Zamrzni os z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Vrsta" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Vrijednost" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Uređivač atomskih &koordinata …" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Uređivač koordinata" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Uređivanje teksta atomskih koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Prepisati promjene?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Tekstualni dokument je promijenjen. Želiš li odbaciti promjene i vratiti se " "na trenutačnu molekulu?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Premalo unosa na liniji." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Neispravno ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Neispravan simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Neispravna oznaka atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Neispravan indeks atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indeks atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Neispravan atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Neispravna koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Greška pri primjeni geometrije" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Neuspjelo analiziranje specifikacije geometrije. Ispravi označene greške i " "pokušaj ponovo.\n" "\n" "(Savjet: Zadrži miša iznad crvenog teksta za opis greške.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Uredi atomske koordinate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Prilagođeno" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Koordinate rešetke (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Koordinate rešetke (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Koordinate rešetke (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopiraj" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Izreži" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Izbriši" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Zalijepi" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "xyz" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Uredi" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Kopiraj kao" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Greška pri odrezivanju molekule" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Greška pri generiranju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format rezultata: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Greška čitača:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Greška pri ljepljenju molekule" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Nije moguće zalijepiti molekulu: Međuspremnik je prazan!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Greška pri čitanju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Otkriveni format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopiraj i zalijepi" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interakcija sa međuspremnikom." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K …" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K unos" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generiraj unos za CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energija i sile" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimizacija geometrije" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Metode elektronske strukture (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekularna mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibridne kvantno-klasične metode (Još nije podržano)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NIŠTA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMSKI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "JEZGRA" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "GUSTOĆE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "PONOVNO_POKRETANJE_POVIJESTI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "NASUMICE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "PONOVNO_POKRETANJE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "RIJETKO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Poveži gradijente" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Gradijentni spust" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Datoteka unosa je promijenjena. Želiš li prepisati promjene kako bi se " "odrazila nova geometrija ili opcije posla?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Prepisati promijenjenu datoteku unosa?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Spremi CP2K datoteku unosa" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Pošalji CP2K izračun" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Uvezi kristal iz međuspremnika …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Uključi/Isključi jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Uredi jediničnu ćeliju …" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Vrati atome u jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "&Okreni u standardnu orijentaciju" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Skaliraj volumen ćelije …" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Izgradi &superćeliju …" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduciraj ćeliju (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&Ukloni jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "&Dodaj jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Uvezi kristal iz međuspremnika" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Vrati atome u jediničnu ćeliju." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Okreni jediničnu ćeliju u standardnu orijentaciju." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli reduciranje kristala" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Jedinična ćelija je već reducirana." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Alati za uređivanje/analizu kristala." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Osi boja:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Boja linija:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Iscrtaj granice jedinične ćelije." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Nije moguće raščlaniti tekst" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Neuspjelo čitanje podataka u isporučenom formatu." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Nema jedinične ćelije." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Uređivač jedinične ćelije" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Zanemaruje se singularna matrica ćelije" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Zanemaruje se singularna matrica frakcijske ćelije" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "&Ponovo dodijeli prilagođene elemente …" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Upravljaj prilagođenim vrstama elemenata u trenutačnoj molekuli." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Prilagođeni elementi" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolni moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Iscrtaj dipolni moment molekule." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Crtaj" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Alat za crtanje\t(%1)\n" "\n" "Lijeva tipka miša:\tKlikni i povuci za stvaranje atoma i veza\n" "Desna tipka miša:\tIzbriši atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Crtaj atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Promijeni vrstu veze" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Ukloni vezu" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Udaljenost:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Alat za uređivanje" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatski" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Jednostruko" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dvostruko" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trostruko" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Uvezi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Dohvati PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Neuspjelo čitanje PDB molekule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB kod" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Kemijska struktura za preuzimanje." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Neispravan PDB kod" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB kod mora sadržati točno 4 znaka." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Prvi znak PDB koda mora biti znamenka 1 do 9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Upit za %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Mrežno preuzimanje nije uspjelo" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Istek vremena mrežne veze ili jedna druga greška." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Navedena molekula nije pronađena: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Dohvati iz PDB-a" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Preuzmi PDB modele iz „Protein Data Bank” baze podataka" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Fokusiraj odabir" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Defokusiraj" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Fokusiraj" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Fokusiraj prikaz na određene funkcije." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Iscrtaj vizualizacije polja sile za atome molekule." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Sile" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Konfiguriraj …" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Zamrzni odabrane atome" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Zamrzni X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Zamrzni Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Zamrzni Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Odmrzni odabrane atome" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Spoji odabrane atome" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Odspoji odabrane atome" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Nema atoma za optimizaciju" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energija: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 energija = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 norma sile = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Optimizacija polja sile" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Minimiziranje polja sile, uključujući skripta" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Opcije …" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Nevažeće opcije modela" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Nije moguće obraditi korisničke opcije za model „%1”." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 opcije" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatsko otkrivanje (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Univerzalno polje sile" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Generalizirano Amber polje sile" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck molekularno polje sile 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS …" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS unos" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generiraj unos za GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Jedna točka" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometrija ravnoteže" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Stanje tranzicije" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvencije" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Izradi EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencijal jezgre" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ništa" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Plin" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutralni" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Spremi GAMESS datoteku unosa" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Pošalji GAMESS izračun" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Podesi vodike" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Dodaj vodike" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "&Ukloni suvišne vodike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Ukloni sve vodike" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Dodaj/Ukloni vodike iz trenutačne molekule." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Vodici" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodici" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Pretraži PQR …" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Uvezi iz PQR-a" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Preuzmi molekulu iz PQR-a." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNK/RNK …" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Umetni" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Umetni DNK/RNK …" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Umetni molekulu …" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Generiranje 3D molekule …" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Umetni DNK" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Umetni DNK/RNK fragmente putem dijaloga." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekula …" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristal …" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Greška pri čitanju datoteke (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Uvezi kristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Umetni fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Umetni fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Umetni molekularne fragmente za izgradnju većih molekula." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptid …" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Umetni peptid" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "Umetni peptid" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Umetni sekvence oligopeptida." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Boja:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Udaljenost od sredine:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Mjerilo oznaka:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Indeks" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Jedinstveni ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Element i broj" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Element i ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Djelomični naboj" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Oznaka atoma:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Duljina" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Oznaka veze:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Ime" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Ime i ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Oznaka ostatka:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Prikaži oznake u stilu kuglica i štapića." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Uredi oznake" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Alat za oznake atoma\n" "\n" "Lijeva tipka miša: \tKlikni na atome za dodavanje prilagođenih oznaka" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Stvori oznaku" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Alat za uređivanje oznaka" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS …" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS unos" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generiraj unos za LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Želiš li aktualizirati tekst pregleda i time izgubiti sve napravljene " "promjene u ploči prikaza LAMMPS-ove ulazne datoteke?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Neprozirnost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Iscrtaj atome kao štapiće." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES …" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI …" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Nije pronađen nijedan deskriptor!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Nije pronađen nijedan čitač formata!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Nije moguće učitati zatraženi čitač formata." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Nije pronađena nijedna koordinat!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Nije moguće generirati 3D koordinate." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Učitavaj molekulske deskriptore koji su zapisani u jednom retku putem " "dijaloga za unos." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravljaj" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Alat za upravljanje \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni i povuci za pomicanje atoma\n" "Desna tipka miša: \tKlikni i povuci za oretanje atoma." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Alat za upravljanje" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Izmjeri" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Alat za mjerenje \t(%1)\n" "\n" "Lijeva tipka miša: \tOdaberi do četiri atoma.\n" "\tUdaljenosti se mjere između 1-2 i 2-3\n" "\tKut se mjeri između 1-3 koristeći 2 kao zajedničku točku\n" "\tDiedar se mjeri između 1-2-3-4\n" "Desna tipka miša: \tResetiraj mjerenja." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedar:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Kut:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Alat za mjerenje" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(na čekanju)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Svojstvo" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Ime molekule" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molekulska masa (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoizotopska masa (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Kemijska formula" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Broj atoma" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Broj veza" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Skupovi koordinata" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Broj ostataka" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Broj lanaca" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Neto naboj" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Netto spin multipliciteta" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipolni moment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO energija (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO energija (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO energija (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Ukupna energija (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nulta točka energije (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpija (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropija (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbsova slobodna energija (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Točkine grupe" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molekularno …" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Pogedaj opća svojstva molekule." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analiziraj" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Svojstva" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekularna svojstva" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Svojstva molukula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Izvezi CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV datoteke (*.csv);;Sve datoteke (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Neuspjelo otvaranje datoteke za pisanje." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Greška pri pisanju u datoteku." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Izvezi …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigacija" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Alat za navigaciju \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni i povuci za okretanje prikaza.\n" "Srednja tipka miša: \tKlikni i povuci za povećanje ili smanjenje prikaza.\n" "Desna tipka miša: \tKlikni i povuci za pomicanje prikaza." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Okreni prikaz duž x, y ili z osi." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Zumiraj prikaz." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Translatiraj prikaz." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Obrni smjer zumiranja pri povlačenju" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Standardno:\tPovuci prema dolje za smanjivanje, povuci prema gore za " "zumiranje\n" "Obrnuto:\tPovuci prema gore za smanjivanje, povuci prema dolje za zumiranje" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Alat za navigaciju" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kemijsko ime" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Mrežne baze podataka" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagiraj s mrežnim bazama podataka, pretraži strukture itd." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Kutna tolerancija:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogeni" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Halkogeni" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Prikaži nekoliko nekovalentnih interakcija." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Konfiguriraj polje sile …" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Konformer pretraga …" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Prepoznaj veze" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Dodaj vodike za pH …" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Ukloni vodike" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nije pronađen! Radnje Open Babel dodatka se deaktiviraju." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Formati Open Babel datoteka nisu spremni za dodavanje." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Učitavanje molekule iz Open Babel …" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Došlo je do interne greške: OpenBabel::readMolecule je pozvan, ali nijedan " "obabel rezultat nije dostupan za analiziranje!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Došlo je do greške pri pokretanju programa Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Greška pri analiziranju openbabel rezultata." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Došlo je do greške pri preuzimanju liste podržanih polja sile. (koristeći " "„%1”)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekula je neispravna. Nije moguće optimirati geometriju." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Nije moguće optimirati geometriju s Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimiranje geometrije (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Generiranje …" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Došlo je do interne greške tijekom generiranja Open Babel prikaza trenutačne " "molekule." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Pokretanje izvršne datoteke %1 …" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Korak %1 od %2\n" "Trenutačna energija: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Aktualiziranje molekule …" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Greška u interpretaciji Open Babel rezultata." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Broj atoma u obabel rezultatu (%1) ne odgovara broju atoma u izvornoj " "molekuli (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molekula je neispravna. Nije moguće generirati konformere." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Nije moguće generirati konformere s Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Generiranje konformera (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generiraj konformere" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Nije moguće otvoriti datoteku s Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Nevažeća molekula: Nije moguće prepoznati veze." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Prepoznavanje veza (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Generiranje XYZ prikaza …" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Greška pri generiranju znakovnog niza XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Konvertiranje XYZ-a u Open Babel s %1 …" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Aktualiziranje molekule iz Open Babel …" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Nije moguće dodati vodike s Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Dodavanje vodika (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Generiranje Open Babel unosa …" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Greška pri generiranju Open Babel unosa." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Izvodi se %1 …" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Dodaj vodike za pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Generiranje obabel unosa …" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Nije moguće ukloniti vodike s Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Uklanjanje vodika (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Greška pri generiranju Open Babel podataka." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Čitanje obabel rezultata …" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel se već pokreće. Pričekaj da druga operacija završi i pokušaj " "ponovo." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagiraj s OpenBabel uslužnim programima." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM skripta …" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM unos" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generiraj unos za OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Želiš li aktualizirati tekst pregleda i time izgubiti sve napravljene " "promjene u ploči prikaza OpenMM-ove ulazne datoteke?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Točno" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Iscrtaj referentne osi u kutu ekrana." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Upravljaj dodacima …" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Instalacijski program paketa" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Instaliraj, aktualiziraj i ukloni Avogadro pakete." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Greška pri preuzimanju popisa dodataka: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Greška: prazan odgovor od servera." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Greška pri dohvaćanju README datoteke: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Ništa nije odabrano" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Označi polje pored dodatka za instaliranje ili aktualiziranje dodatka." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (zahtijeva %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Nekompatibilnost verzija" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Sljedeći dodaci zahtijevaju noviju Avogadro verziju:\n" "\n" "%1\n" "\n" "Svejedno instalirati?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "Nema datoteke za preuzimanje" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Odabrani dodaci nemaju URL izvornog koda za preuzimanje:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Neuspjelo praćenje preusmjeravanja prilikom preuzimanja %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Neuspjelo preuzimanje s %1: stanje %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Neuspjelo preuzimanje s %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Preuzima se %1 u %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Raspakirava se %1 …\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Raspakiravanje završeno (%1 datoteka)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Greška: nije moguće premjestiti raspakirani paket %1 u %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Greška pri raspakiravanju: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Nije bilo nijedne datoteke nakon raspakiravanja.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Instalacija je završena.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nema se što ukloniti" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Označi polje pored instaliranog dodatka za uklanjanje dodatka." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Ukloni dodatke" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Ukloniti %n odabrani dodatak?" msgstr[1] "Ukloniti %n odabrana dodatka?" msgstr[2] "Ukloniti %n odabranih dodatka?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Zadrži datoteke" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Izbriši datoteke" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Odaberi direktorij dodataka" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Neispravan direktorij" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "Odabrani direktorij ne sadrži datoteku pyproject.toml." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Dodatak je već instaliran kao poveznica: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Stvorena je poveznica: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" "Stvaranje poveznice nije uspjelo; datoteke se umjesto toga kopiraju …\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Neuspjelo kopiranje paketa u %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Instalira se dodatak iz %1 …\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Nije instaliran" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Instaliran (aktualna verzija)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Dostupna je nova verzija" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Instaliran lokalno (ne u online katalogu)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Zahtijeva Avogadro %1 ili noviju verziju (ti pokrećeš %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Ikone funkcija:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Stanje" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Verzija" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Funkcije" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Opis" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Elektrostatika" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Energetski modeli" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Datotečni formati" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Generatori unosa" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Naredbe" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "GREŠKA: nije moguće otvoriti zip datoteku za prikaz popisa sadržaja.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "POGREŠKA: nije moguće otvoriti zip datoteku za raspakiranje datoteka.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Upozorenje: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Alat za animaciju \t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Sličica:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Početak:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Kraj:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dinamičko vezivanje?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Broj sličica:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Reproduciraj" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Snimi …" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pauza" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Video (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Izvezi bitmap slike" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Video (*.mp4);;Video (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Upozorenje o podršci za GIF FPS" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF format ne podržava broj sličica u sekundi iznad 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Video (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Greška: nije moguće dodati kadar u video." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Pokreni animaciju trajektorija" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Iscrtaj podatke konformera …" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Analiza konformera" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Vrsta dijagrama:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Brzine" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Jedinice energije:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "u" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Relativna energija (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Sile (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Brzine (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "Iscrtavanje konformera" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Generiraj i iscrtaj podatke konformera (RMSD ili energiju)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Nacrtaj funkciju raspodjele parova …" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Neuspjelo generiranje PDF uzorka" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Poruka greške: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generiraj i nacrtaj krivulju funkcije raspodjele parova." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Nacrtaj teoretski XRD uzorak …" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Neuspjelo generiranje XRD uzorka" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Neuspjelo konvertiranje molekule u CIF format." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Čini se da su pročitani podaci od genXrdPattern oštećeni!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Greška: izvršna datoteka genXrdPattern nije pronađena!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Greška: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generiraj i nacrtaj teoretski XRD uzorak koristeći ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Aktualiziraj" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Greška pri preuzimanju podataka dodatka." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Greška pri analiziranju podataka dodatka." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Ovaj dodatak zahtijeva instaliranje određenih paketa.\n" "Želiš li ih instalirati?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Uvijek" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Nikada" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Neuspjelo preuzimanje iz %1: kȏd stanja %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Raspakirava se %1 u %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Dovršene datoteke: %1\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Raspakiranje uspjelo\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Greška pri raspakiranju: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Instalacija je prekinuta\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Preuzmi dodatke …" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Preuzmi dodatke" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Preuzmi dodatke s GitHub repozitorija." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY iscrtavač …" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Spremi datoteku" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstualna datoteka (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Koristi PLY za iscrtavanje prikaza." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray iscrtavač …" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Tekstualna datoteka (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Koristi POV-Ray za iscrtavanje prikaza." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Klikni za mijenjanje boje" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valencija" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Formalni naboj" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 djelomični naboj" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Oznaka" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Izotop" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Boja" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Početak atoma" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Kraj atoma" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Red veze" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Duljina (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Lanac" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Sekundardna struktura" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vrh" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Kut (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energija (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Prilagodi fragment" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-zavojnica" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Zavoj" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-zavojnica" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-ploča" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 zavojnica" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β most" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Okretaj" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Spirala" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Svojstva atoma …" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Svojstva veze …" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Svojstva kuta …" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Svojstva torzije …" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Svojstva ostatka …" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Svojstva konformera …" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Tablice za prikaz i uređivanje svojstva atoma, veze, kuta i torzije." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tablice svojstva" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Svojstva atoma" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Svojstva veze" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Svojstva kuta" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Svojstva torzije" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Svojstva konformera" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Svojstva ostatka" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Vrsta djelomičnog naboja" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Odaberi vrstu djelomičnog naboja:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Promijeni vrstu naboja …" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Zamrzni atom" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Zamrzni X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Zamrzni Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Zamrzni Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Odmrzni atom" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Ograniči vezu" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Ograniči kut" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Ograniči torziju" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Ukloni ograničenje" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Nije moguće čitati datoteku %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Neuspjelo stvaranje privremene datoteke." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Iscrtava primitivne ćelije koristeći QTAIM svojstva" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekulski grafikon …" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molekulski grafikon sa slobodnim parovima …" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomski naboj …" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Otvori WFN datoteku" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN datoteke (*.wfn);;Sve datoteke (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM proširenje" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Kvantni unos" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generiraj unos za kvantne kodove." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centriraj" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Poravnaj prikaz prema osima" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Poravnaj prikaz prema osima." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Resetiraj prikaz" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Upravljaj kamerom prikaza." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Skripta modela naboja" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Učitaj elektrostatičke modele iz eksternih skripta." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Skripta datotečnih formata" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Učitaj čitač/pisač datoteka iz eksternih skripta." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Odaberi sve" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Poništi izbor" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Obrni odabir" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Odaberi prema elementu …" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Odaberi prema indeksu atoma …" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Odaberi prema ostatku …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Odaberi atome glavnog lanca …" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Odaberi atome bočnog lanca …" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Odaberi vodu" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Povećaj odabir" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Smanji odabir" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Stvori novi sloj iz odabira" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Promijeni odabire" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Odaberi" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Odaberi element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Odaberi glavni lanac" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Odaberi bočni lanac" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Odaberi atome prema indeksu" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomi za biranje:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Odaberi atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Odaberi atome prema ostatku" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Ostaci za biranje:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Odaberi ostatak" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Odaberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Odabir" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Alat za biranje \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni za biranje pojedinačnih atoma, ostataka ili " "fragmenata\n" "\tPovuci za biranje niza atoma\n" "Desna tipka miša: \tKlikni izvan molekule za poništavanje odabira\n" "Koristi tipku Ctrl za mijenjanje odabira i tipku shift za dodavanje " "odabiru.\n" "Dvostruki klik: \tOdaberi cijeli fragment." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Oboji atome" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Alat za biranje" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Novi sloj" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Prepoznaj prostornu grupu …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetriziraj" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reduciraj na asimetričnu jedinicu" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Postavi toleranciju …" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Ispuni jediničnu ćeliju …" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Ispuni translacijsku ćeliju …" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Prostorna grupa" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Ispuni simetrične atome na temelju prostorne grupe kristala." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Ispuni sve atome na temelju prostorne grupe kristala." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Prepoznaj prostornu grupu" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Prostorna grupa je već postavljena na: %1.\n" "Želiš li je prepisati?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Percepcija prostorne grupe je uspjela:\n" "Tolerancija: %1 Å\n" "Prostorna grupa: %2\n" "Hall simbol: %3\n" "Međunarodni simbol: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Neuspjeh" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepcija prostorne grupe nije uspjela.\n" "Želiš li pokušati ponovo s jednom drugom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Redukcija na primitivnu ćeliju" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Tolerancija je trenutačno postavljena na: %1.\n" "Nastaviti s ovom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Redukcija na primitivnu ćeliju nije uspjela.\n" "Provjeri kristal i pokušaj ponovo s jednom drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Konvencionalizacija ćelije nije uspjela.\n" "Provjeri kristal i pokušaj ponovo s jednom drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetrizacija nije uspjela.\n" "Provjeri kristal i pokušaj ponovo s jednom drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "S tolerancijom od %1 Å, informacije prostorne grupe su percipirane kao " "sljedeće:\n" "Međunarodni broj: %2\n" "Hall simbol: %3\n" "Međunarodni simbol: %4\n" "\n" "Nastaviti s ovom prostornom grupom?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Odberi toleranciju u Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triklinično" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoklinično" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Ortorombično" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonalno" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonalno" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Romboedarsko" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Heksagonalno" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Kubično" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Otkrivena je primitivna ćelija" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "Trenutačna jedinična ćelija izgleda kao primitivna ćelija (kutovi nisu 90°), " "ali prostorna grupa %1 očekuje centriranu konvencionalnu ćeliju.\n" "\n" "Popunjavanje jedinične ćelije može stvoriti neočekivane duple atome.\n" "\n" "Želiš li najprije stvoriti konvencionalnu ćeliju?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Pretvaranje ćelije u konvencionalnu ćeliju nije uspjelo." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Međunarodno" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Sustav kristala" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Odaberi prostornu grupu" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Prostorna grupa" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Funkcije prostorne grupe za kristale." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Crtaj spektre …" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spektri" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Prikaži crteže spaktara." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infracrveno" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Vibracijski cirkularni dikroizam" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Magnetski cirkularni dikroizam" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Elektronski" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Cirkularni dikroizam" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Gustoća stanja" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Odaberi boju pozadine" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Odaberi prednju boju" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Odaberi boju izračunatog spektra" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Odaberi boju neobrađenog spektra" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Odaberi boju uvezenog spektra" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Valna duljina (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frekvencija (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Spektri vibracija" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Valni brojevi (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmisija" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Raman spektri" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intenzitet" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Vibracijski cirkularni dikroizam" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Magnetski cirkularni dikroizam" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR spektri" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Kemijski pomak (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Elektronski spektri" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energija (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Spektri kružnog dikromizma" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Gustoća" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Zaglađeno" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Neobrađeno" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Uvezeno" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Uvezi podatke" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV datotke (*.csv);;TSV datotke (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Površina" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volumen" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Stil:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Iscrtaj molekularne površine." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molekulske orbitale …" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Prozor orbitala" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Prikaži popise orbitala." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetrija" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Popunjenost" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molekulske orbitale" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Otapalo dostupno" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Otapalo isključeno" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekulska orbitala" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Gustoća elektrona" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Gustoća spina" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Iz datoteke" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " od %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Stvori površine …" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Iscrtaj van der Waals površinu." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Iscrtaj van der Waals molekulsku površinu." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Iscrtaj molekulsku površinu dostupnog otapala." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Iscrtaj molekulsku površinu isključenog otapala." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Iscrtaj molekulsku orbitalu." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Iscrtaj gustoću elektrona." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Iscrtaj gustoću spina." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Iscrtaj kocku isporučenu s datotekom." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Kocka %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Izračunavanje gustoće elektrona" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Izračunavanje gustoće spina" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Izračunavanje molekulske orbitale %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Površina završena" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Video AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Izvezi video" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Video MP4 (*.mp4);;Video AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" "Nije bilo moguće pronaći aktivni widget za iscrtavanje, operacija nije " "uspjela." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Čitaj i iscrtaj površine." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG …" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Iscrtaj prikaz u SVG datoteku." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Klasa" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Simetrija …" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Pruži funkcionalnost simetrije." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Iscrtaj elemente simetrije." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grupa %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Predložak" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Alat za predloške (%1)\n" "\n" "Umetni fragmente, uključujući središta metala.\n" "Odaberi element i geometriju koordinacije, zatim klikni za umetanje " "fragmenta.\n" "\n" "Odaberi ligand ili funkcionalnu grupu i klikni na atom vodika za spajanje." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Međuspremnik" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Umetni predložak" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Umetni ligande" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Alat za predloške" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Jednostavan prikaz VdW sfera." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Pokreni animaciju" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Zaustavi animaciju" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Modusi vibracije …" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Prikaži dijalog modusa vibracije." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Postavi modus vibracije." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Postavi amplitudu vibracije." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Pokreni animaciju vibracije." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Prekini animaciju vibracije." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibracije" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Prikaži moduse vibracije." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML iscrtavanje …" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstualna datoteka (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Koristi VRML za iscrtavanje prikaza." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Iscrtaj molekulu kao žičani model." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Izračunaj strukturu vrpce …" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Nije moguće izračunati strukturu vrpce: nema jedinične ćelije!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Izvršavanje Yaehmopa nije uspjelo sa sljedećom greškom:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Neuspjelo čitanje rezultata strukture vrpce od Yaehmopa!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Pronađena je samo jedna posebna k točka u Yaehmop rezultatu! Potrebne su " "dvije ili više!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-prostor" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Vrpca %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi razina" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Yaehmop se ne može pronaći" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Greška: %1 se nije uspio pokrenuti" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop unos" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Izvrši proširene Hückelove izračune s yaehmopom." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dijalog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Obrazac" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Postavke izračuna" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Tekst rezerviranog polja …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Resetiraj" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Ispravljanje grešaka skripta …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Pošalji izračun …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Spremi unos …" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Red i program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Osvježi" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Broj rezerviranih jezgri procesora za ovaj posao.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Jezgre procesora:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Izbriši eksterne radne datoteke po završetku posla. " "Rezultati će se i dalje najprije kopirati u lokalnu MoleQueue predmemoriju " "poslova.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Izbriši eksterne datoteke nakon završetka:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Označi za standardno sprečavanje prikazivanja ovog " "posla u MoleQueue GUI-u.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Sakrij posao u MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Prikaži skočnu obavijest sustava kada se stanje posla " "promijeni.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Prikaži obavijesti o napretku:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Otvori rezultat nakon završetka:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Preimenuj elemente" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Umetni fragment …" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtar:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Upiši ime ili dio imena za prikaz samo podudarajućih datoteka." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Umetni" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML isječak" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Kopiraj u međuspremnik" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Datoteka unosa strukture" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generiraj unos iz PDB-a" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje sile:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "RAŠČLANI" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Pokreni PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Učitaj postojeću PQR datoteku" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Datoteka APBS unosa" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Spremi datoteku unosa" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Pokreni APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspjeh!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Učitaj datoteku strukture" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Učitaj datoteku kocke" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Djelomični naboji" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Model naboja:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerancija udaljenosti:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimalna udaljenost:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Postoji samo „base” Conda okruženje.\n" "Želiš li stvoriti novo okruženje za Avogadro?\n" "Time će se izraditi kopija tvog osnovnog okruženja.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Ime okruženja:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Odaberi Python verziju koja se koristi za pokretanje skripta.\n" "Avogadro se mora ponovo pokrenuti kako bi sve promjene stupile na snagu." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Okruženje:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Dodaj ograničenja" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Vrsta:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Indeksi atoma:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Vrijednost:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Dodaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Opcije" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Dohvati ograničenje" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Izbriši odabrane" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Izbriši sve" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "U redu" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Uređivač koordinata" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Unaprijed postavljeno:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Jedinica udaljenosti:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specifikacija formata. Svaki znak označava vrijednost " "koju treba napisati po atomu:

# - Indeks atoma (1, 2, …, broj atoma)
Z - Atomski broj (npr. „6” za ugljik)
G - Atomski broj u stilu GAMESS-a (npr. " "„6,0” za ugljik)
N - Ime " "elementa (npr. „Ugljik”)
S - " "Simbol elementa (npr. „C” za ugljik)
L - Oznaka atoma (npr. „C2” za drugi atom ugljika, „H1” " "za prvi vodik)
x - X " "koordinata položaja
y - Y " "koordinata položaja
z - Z " "koordinata položaja
a - " "koordinata rešetke 'a' (samo kristali)
b - koordinata rešetke 'b' (samo kristali)
c - koordinata rešetke 'c' (samo " "kristali)
_ - Znak razmaka (\" " "\"), korisno za poravnanje
0 - " "Znak 0 (\"0\"), korisno za optimizacijske oznake
1 - Znak 1 (\"1\"), korisno za optimizacijske oznake

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Pomoć …" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Zalijepi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Obnovi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Izbriši" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Primijeni" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K unos" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Resetiraj sve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Standardne postavke" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Spremi datoteku …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Osnovna postava" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Osnova imena datoteke:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "posao" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Izračunaj:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Osnova:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funkcionalno" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD vrsta" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TOČNO" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF PRETPOSTAVKA" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "VANJSKI MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "VANJSKI EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZATOR" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Datotečni sufiks za Open Babel konverziju (standardno – Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametri superćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcije superćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C ponavljanje:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Ćelijska matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Frakcijska matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformiraj atome" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Primijeni" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Obnovi" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sakrij" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Skaliraj volumen jedinične ćelije" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Novi &volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Faktor skaliranja:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Tranutačni volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Tekstualna oznaka" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Red veze:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametri optimizacije geometrije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriteriji konvergencije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energetska konvergencija:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Ograničenje koraka:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " jedinice" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " koraci" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradijentna konvergencija:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metoda optimizacije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Polje sile:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Automatsko otkrivanje" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS unos" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "U:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "CONV THRESH" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Višestrukost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Sa:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naboj:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Uvezi iz PQR-a …" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Pretraga" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ime" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "oznaka" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Traži prema: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Preuzmi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ime:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Umetni nukleinske kiseline" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNK/RNK generator" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNK" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNK" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Neukleinske kiseline:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Gvanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sekvencija:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "broj parova baze po okretaju spirale" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Drugo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Broj baza po okretaju:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Lanci:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Jedan" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Dva" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Graditelj peptida" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Asparaginska kiselina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cistein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutaminska kiselina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Izoleucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirozin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lizin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Aminokiseline:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sekvenca (N do C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereokemija:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N kraj:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C kraj:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Struktura:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Ravni lanac" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α spirala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β-ploča" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 spirala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π spirala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Broj lanca:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Broj lanca novog peptida" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS unos" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Komentari datoteke unosa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Odaberi stil jedinice koji će se koristiti tijekom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Jedinice" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencijal vode" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Odaberi stil atoma (atom_style) koji koristi datoteka podataka." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Stil atoma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "kut" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomski" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "veza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "naboj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "potpuno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "sredina" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekularno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "oko" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "valni paket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Odredi ime koje će se koristiti za datoteku koordinata." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Datoteka podataka koordinata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ansambl" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Odaberi broj Nosé-Hoover lanaca u NVT ansamblu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH lanci" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Vremenski korak za simulaciju u jedinicama prema specifikaciji „Jedinice”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Vremenski korak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Ime XYZ datoteke koja će se pisati tijekom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Ispiši XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Broj dimenzija u sustavu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimenzije" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Promijeni stil Z granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Promijeni stil Y granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Promijeni stil X granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Odaberi stilove granica u smjerovima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Granica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Broj replikacija u smjerovima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replikacija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replikacija u smjeru X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replikacija u smjeru Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replikacija u smjeru Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Ukupni broj vremenskih koraka za pokretanje simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Ukupni broj koraka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Interval ispisa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Postavi početne brzine atoma za simulaciju." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Početne brzine" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Odaberi distribuciju početnih brzina atoma." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gausova" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "jednolika" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Postavi početne brzine atoma da odgovaraju ovoj temperaturi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Ukloni linearni moment sustava iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Bez linearnog momenta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Ukloni kutni moment sustava iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Bez kutnog momenta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Upravljaj termodinamičkim rezultatom tijekom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Rezultat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval rezultata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Stil termodinamičkog rezultata." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Jedan redak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Višeredno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Koristi obrazac" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generiraj …" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translatiraj za:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Okreni oko:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Izvor" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Središte molekule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Središte odabira" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Os X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Os Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Os Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Pomakni:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Odabrane atome" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Sve ostalo" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Pretraga konformera" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Broj konformera:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematsko pretraživanje rotacijskih veza" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Slučajno pretraživanje rotacijskih veza" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Ponderirano pretraživanje rotacijskih veza" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Pretraga genteskim algoritmom" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimizacija po konformeru:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opcije genetskog algoritma" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "broj djece za svaku roditeljsku geometriju" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Djeca:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frekvencija mutacije (niža = češće mutacije)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Promjenjivost:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "broj identičnih generacija prije nego što se postigne konvergencija" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Konvergencija:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Metoda bodovanja:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "metoda bodovanja za genetski algoritam (RMSD = geometrijska udaljenost, " "energija = najniže energije)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritam optimizacije:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tehnika pretraživanja linija:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Gradijentni spust" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjugirani gradijent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Jednostavno" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newtonova metoda" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Ograniči nevezane interakcije" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Granična udaljenost Van der Waalsovih sila:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Učestalost aktualiziranja para:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "Granična udaljenost elektrostatskih sila:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Konvergencija „Energije”:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM izgrađivač skripta" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Skripta posla:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "skripta" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Koordinate unosa:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologija unosa:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Polje sile:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Model vode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicitno otapalo (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referenca" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Točnost:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "jednostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "miješano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dvostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indeks uređaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indeks OpenCL platforme:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nepovezana metoda:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Bez ograničenja" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Neperiodično ograničenje" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Periodično ograničenje" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald tolerancija:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Vodikove veze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Sve veze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Vodikovi kutovi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolerancija ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Tvrda voda?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Krivo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nepovezano ograničenje:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Slučajna početna brzina:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temperatura generiranja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolerancija grešaka:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Stopa kolizije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Tlak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostatski interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Izvejstitelji:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval izveštaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Koraci ekvilibracije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Koraci proizvodnje:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizirati?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maks. koraci minimiziranja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData opcije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Indeks koraka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Vrijeme" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Brzina" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Napredak" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potencijalna energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetička energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Ukupna energija" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Traži dodatke …" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Instaliraj iz direktorija …" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Ukloni odabrane" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Instaliraj / aktualiziraj odabrane" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opcije PDF grafikona" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maksimalni radijus:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Korak (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opcije teoretskog XRD uzorka" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

Širenje vrha pri bazi (u stupnjevima).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

Maksimalna 2theta vrijednost u stupnjevima.

Standardno: 162,00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

Širenje vrha pri bazi u stupnjevima.

Standardno: " "0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Broj točaka:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Valna duljina:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Valna duljina x-zraka u Angstromima.

Standardno: 1,50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Broj generiranih 2theta točaka.

Standardno: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Maks. 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Preuzmi odabrano" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radijus kritične točke:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radijus staze veze:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentna" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstantna veličina" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Primijeni boju" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Vizualizacija spektara" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Faktor skaliranja:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Minimum osi X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Maksimum osi X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Odmak:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Maksimum osi Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Minimum osi Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Prag vrha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Jedinice:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Izgled" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Postavi boju …" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Uvezeni spektri:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Veličina fonta:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Debljina linije:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Prikaži" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Uvozi tabulatorom odvojene vrijednosti eksperimentalnih spektara za " "pokrivanje na crtežu." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Uvezi …" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Pozadina:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Izračunati spektri:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Neobrađeni spektar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Izvezi …" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Izvezi podatke" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zatvori" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opcije …" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrole:\n" "Dvostruki lijevi klik: Obnovi zadane granice osi\n" "Desni klik + povlačenje: Pomiči dijagram\n" "Srednji klik + povlačenje: Zumiraj na regiju\n" "Kotačić za pomicanje: Zumiraj na kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Učitaj podatke …" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kvaliteta: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Vrlo niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Vrlo visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Iscrtaj" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Konfiguriraj" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Stvori površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Površina:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Boja prema:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Elektrostatički potencijal" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolucija:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Vrijednost izopovršine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Zaglađivanje:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lagano" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Snažno" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Snimi video …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Simetrično ekvivalentni atomi:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Zaključaj simetriju" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operacije" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementi simetrije:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Podgrupe" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Podgrupe:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerancija:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Usko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normalno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Široko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Jako široko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Otkrij simetriju" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Sredine" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formalni naboj:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordinacija:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Oktaedarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linearni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linearni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonalno planarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraedarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Kvadratno planarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonalno bipiramidni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Kvadratno piramidni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonalna prizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonsko bipiramidni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Kvadratna antiprizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligandi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Heksadentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptični" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Iz međuspremnika" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupe" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grupa:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amid" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "karboksilat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "acetilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonat" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modusi vibracija" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplituda:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop vrpca" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Fermi razina mora biti poznata prije nego što označiš " "ovu opciju. Fermi razinu možeš otkriti izvođenjem izračuna gustoće stanja i " "prikazivanjem podataka (bit će na vrhu podataka). Osim toga, ako se izvrši " "izračun gustoće stanja, Fermi razina će se automatski postaviti na " "vrijednost koja je detektirana tijekom izračuna gustoće stanja.

Ako je " "ova opcija označena, provjeri je li ispravna Fermi razina postavljena u " "izborniku s desne strane.

Standardno: isključeno

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Nacrtati Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Podesiti energije tako da nula bude Fermi? Dostupno je " "samo ako crtamo Fermi razinu.


Zadano: isključeno

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Fermi nula?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "broj k-točki koje povezuju posebne k-točke:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Posebne k-točke" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Maks. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Fermi razina

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Upiši posebne k-točke kao takve:

L 0,5 0,5 0,5

G 0,0 0,0 0,0

X 0,5 0,0 0,5

To je <symbol> <x> " "<y> <z> gdje su x, y i z razlomačke recipročne prostorne " "koordinate. Povući će se linije koje povezuju te k-točke na grafikonu " "redoslijedom upisivanja. Imaj na umu da orijentacija tvoje ćelije može " "utjecati na lokacije ovih recipročnih prostornih točaka.

Ako je " "prostorna grupa kristala prepoznata ili postavljena, posebne k točke će se " "automatski ispuniti točkama visoke simetrije primitivne ćelije za tu " "prostornu grupu. Postoji nekoliko prostornih grupa s različitim visokim " "točkama simetrije ovisno o rešetki (kao što je a > b ili a < b) – to " "se automatski uzima u obzir.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Upiši broj k-točaka koje će povezivati posebne k-" "točke. Više ovih k-točaka će izgladiti grafikon, ali izračun može potrajati " "duže.

Standardno: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Ograničiti y-raspon u crtežu?

Standardno: " "isključeno

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Ograničiti y-raspon?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Broj periodičnih dimenzija.


Ako je " "postavljeno na 1, materijal će biti periodičan samo duž vektora A kristala.


Ako je postavljeno na 2, materijal će biti periodičan duž " "vektora A i B kristala.


Ako je postavljeno na 3, materijal " "će biti periodičan duž vektora A, B i C kristala.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Broj dimenzija:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Prikazati Yaehmop unos?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Oliver Mucafir, Geoff Hutchison, gogo, Milo Ivir" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "avogadro-devel@lists.sourceforge.net, trebelnik2@gmail.com, mail@milotype.de" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Opcija „%1” se ne odnosi na nijedan objekt." #, qt-format #~ msgid "Tab %1" #~ msgstr "Kartica %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Greška: vrijednost mora biti objekt za ključ „%1”." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Uredi kartu neprozirnosti boja …" #~ msgid "ColorOpacityMap" #~ msgstr "Karta neprozirnosti boja" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Uredi karte neprozirnosti boja, prvenstveno za iscrtavanje volumena." #~ msgid "Volume Rendering" #~ msgstr "Iscrtavanje volumena" #~ msgid "Cube" #~ msgstr "Kocka" #~ msgid "Enable volume rendering" #~ msgstr "Aktiviraj iscrtavanje volumena" #~ msgid "Enable surface rendering" #~ msgstr "Aktiviraj iscrtavanje površine" #~ msgid "Isovalue" #~ msgstr "Izovrijednost" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Greška pri dohvaćanju metapodataka za skriptu energije: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Greška pri analiziranju metapodataka za skriptu energije: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Greška pri analiziranju metapodataka za skriptu energije: %1\n" #~ "Rezultat nije JSON objekt.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Skripta %1 se ne može učitati" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Provjeranje %1 skripta u stazi %2" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Kutovi:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Odustani" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(u tijeku)" #~ msgid "unknown molecule" #~ msgstr "nepoznata molekula" #~ msgid " & " #~ msgstr " i " #~ msgid "Reference Axes Overlay" #~ msgstr "Prikaz referentnih osi" #~ msgid "Meshes" #~ msgstr "Mreže" #~ msgid "Plot RMSD curve…" #~ msgstr "Nacrtaj RMSD krivulju …" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generiraj i nacrtaj RMSD krivulju." #, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Alat za oznake atoma \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tKlikni na atome za dodavanje prilagođenih oznaka" #~ msgid "Max 2*theta:" #~ msgstr "Maks. 2*theta:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tablice za prikaz i uređivanje svojstva atoma, veze, kuta i torzije." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Poravnaj molekule\n" #~ "\n" #~ "Lijeva tipka miša: Odaberi do dva atoma.\n" #~ "\tPrvi atom je centriran pri izvoru.\n" #~ "\tDrugi atom je poravnat na odabranu os.\n" #~ "Desna tipka miša: Poništi poravnanje.\n" #~ "Dvostruki klik: Centriraj atom pri izvoru." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Alat za upravljanje vezama \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tKlikni i povuci za okretanje prikaza.\n" #~ "Srednja tipka miša: \tKlikni i povuci za povećanje ili smanjenje " #~ "prikaza.\n" #~ "Desna tipka miša: \tKlikni i povuci za pomicanje prikaza.\n" #~ "Dvostruki klik: \tResetiraj prikaz.\n" #~ "\n" #~ "Klikni lijevom tipkom miša i povuci na vezu za postavljanje ravnine " #~ "upravljanja:\n" #~ "Klikni lijevom tipkom miša i povuci jedan od atoma u vezi za mijenjanje " #~ "kuta\n" #~ "Klikni desnom tipkom miša i povuci jedan od atoma u vezi zs mijenjanje " #~ "duljine" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Alat za crtanje (%1)\n" #~ "\n" #~ "Lijeva tipka miša: Klikni i povuci za stvaranje atoma i veza\n" #~ "Desna tipka miša: Izbriši atom" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Alat za oznake atoma \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tKlikni na atome za dodavanje prilagođenih oznaka" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Alat za upravljanje \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tKlikni i povuci za pomicanje atoma\n" #~ "Desna tipka miša: \tKlikni i povuci za oretanje atoma.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Alat za mjerenje \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tOdaberi do četiri atoma.\n" #~ "\tUdaljenosti se mjere između 1-2 i 2-3\n" #~ "\tKut se mjeri između 1-3 koristeći 2 kao zajedničku točku\n" #~ "\tDiedar se mjeri između 1-2-3-4\n" #~ "Desna tipka miša: \tResetiraj mjerenja." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Alat za navigaciju \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tKlikni i povuci za okretanje prikaza.\n" #~ "Srednja tipka miša: \tKlikni i povuci za povećanje ili smanjenje " #~ "prikaza.\n" #~ "Desna tipka miša: \tKlikni i povuci za pomicanje prikaza.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Standardno:\tPovuci prema dolje za smanjivanje, povuci prema gore za " #~ "zumiranje\n" #~ "Obrnuto:\tPovuci prema gore za smanjivanje, povuci prema dolje za " #~ "zumiranje" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Alat za animaciju \t(%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Alat za biranje \t(%1)\n" #~ "\n" #~ "Lijeva tipka miša: \tKlikni za biranje pojedinačnih atoma, ostataka ili " #~ "fragmenata\n" #~ "\tPovuci za biranje niza atoma\n" #~ "Desna tipka miša: \tKlikni izvan molekule za poništavanje odabira\n" #~ "Koristi tipku Ctrl za mijenjanje odabira i tipku shift za dodavanje " #~ "odabiru.\n" #~ "Dvostruki klik: \tOdaberi cijeli fragment." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Alat za predloške (%1)\n" #~ "\n" #~ "Umetni fragmente, uključujući središta metala.\n" #~ "Odaberi element i geometriju koordinacije, zatim klikni za umetanje " #~ "fragmenta.\n" #~ "\n" #~ "Odaberi ligand ili funkcionalnu grupu i klikni na atom vodika za spajanje." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Iscrtaj poligonalne mreže." #~ msgid "&Analysis" #~ msgstr "&Analiza" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "…" #~ msgid "&Import..." #~ msgstr "&Uvezi …" #~ msgid "Set Color..." #~ msgstr "Postavi boju …" #~ msgid "&Export..." #~ msgstr "&Izvezi …" #~ msgid "&Load data..." #~ msgstr "&Učitaj podatke …" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Djelomični naboj" #~ msgid "Animation Tool" #~ msgstr "Alat za reprodukciju" #~ msgid "Select Water…" #~ msgstr "Odaberi vodu …" #~ msgid "&Copy" #~ msgstr "&Kopiraj" #~ msgid "Molecule Name:" #~ msgstr "Ime molekule:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulska masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of Bonds:" #~ msgstr "Broj veza:" OpenChemistry-avogadrolibs-ceb949f/i18n/hu.po000066400000000000000000013446651516317240700212500ustar00rootroot00000000000000# Hungarian translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Szabolcs Kalapos , 2020. # SoftwareByRedline , 2021. # ovari , 2021, 2022, 2023, 2024, 2026. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # Mirkó Attila , 2024. # Eisuke Kawashima , 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-22 13:59+0000\n" "Last-Translator: ovari \n" "Language-Team: Hungarian \n" "Language: hu\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Kötegelt feladat #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nincs megadva üzenet." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "parancsfájl --nyomtatási-beállítások kimenet legfelső szintű JSON-" "objektumnak kell lennie. Érkezett:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "A karakterlánc-mentes figyelmeztetés visszatért." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "A „warnings” (figyelmeztetések) tag nem tömb." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "A(z) „%1” hivatkozási fájl nem létezik." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Hiba történt a(z) %1 fájl kitöltésében: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "A(z) „%1” fájl rosszul van beállítva. Hiányzó karakterlánc „contents” " "(tartalom) vagy „filePath” (fájlelérésiÚt) tag." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Hibás fájlbejegyzés: a fájlnév/tartalom hiányzik vagy nincs karakterlánc:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Hibás fájlbejegyzés a(z) %1 tárgymutatóban: Nem objektum." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "A „files” (fájlok) tag nem tömb." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "A „files” (fájlok) tag hiányzik." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "A „mainFile” (főFájl) tag nem utal a „files” (fájlok) bejegyzésére." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "A „mainFile” (főFájl) tagnak karakterláncnak kell lennie." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "A válasznak legfelső szintű JSON-objektumnak kell lennie." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Parancsfájl kimenet:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Elemzési hiba történt a(z) %L1 eltolásnál: „%2”\n" "Nyers JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Hiba történt a molekulaábrázolás mentése a karakterláncba: Felismerhetetlen " "fájlformátum: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Hiba történt a molekulaábrázolás mentése a karakterláncba: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Hiba történt a kémiai-JSON-objektum létrehozásakor: Elemzési hiba a(z) %1 " "eltolásnál: %2\n" "Nyers JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Hiba történt a kémiai-JSON-objektum létrehozásakor: Az elemzett JSON nem " "objektum:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Bemenet-létrehozó (hiba)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 bemenet-létrehozó" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Folytatás" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Bezárás" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Ismeretlen" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "A következő fájl módosult:\n" "\n" "%1\n" "\n" "Szeretné felülírni a módosításokat, hogy azok tükrözzék az új geometriát " "vagy feladatbeállításokat?" msgstr[1] "" "A következő fájlok módosultak:\n" "\n" "%1\n" "\n" "Szeretné felülírni a módosításokat, hogy azok tükrözzék az új geometriát " "vagy feladatbeállításokat?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Felülírja a módosított bemeneti fájlokat?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Hibák történtek a bemenet-létrehozó során:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Nincs mentendő bemeneti fájl!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Nem sikerült a „MoleQueue” (Molekulasor) csatlakozása" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Nem sikerült a „MoleQueue” (Molekulasor)-kiszolgáló csatlakozása. Kérjük, " "ellenőrizze, hogy az fut, és próbálja újra." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 számítás elküldése" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Feladat nem sikerült" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "The task did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Parancsfájl figyelmeztetéseket ad vissza:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "&Figyelmeztetések elrejtése" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "&Figyelmeztetések megjelenítése" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Hiba történt:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Kimeneti fájlnév kijelölése" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Belső hiba történt: a(z) „%1” fájlnév szöveges vezérlő nem található" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Kimeneti hiba" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "A(z) %1 fájl mentése nem sikerült." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Kimeneti könyvtár kijelölése" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: A könyvtár nem létezik!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: A könyvtár nem olvasható!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: A fájl felülírásra kerül." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: A fájl nem menthető." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "A bemeneti fájlok ismeretlen hiba miatt nem menthetők." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "A bemeneti fájlok nem menthetők:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "A bemeneti fájlok nem menthetők:\n" "\n" "%1\n" "\n" "Figyelmeztetések:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Figyelmeztetés:\n" "\n" "%1\n" "\n" "Szeretné folytatni?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Bemeneti fájlok mentése" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Feladat beállítása" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Feladat küldése a „MoleQueue” (Molekulasor)-hoz folyamatban…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Feladatküldési időtúllépés" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" "Az Avogadro alkalmazás időtúllépése a „MoleQueue” (Molekulasor) alkalmazás " "válaszának várakozása miatt." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" "Várakozás a(z) %1-feladatazonosító befejezésére…\n" "Feladatleírás: %2" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Várás leállítása" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "A befejezett feladatadatok lekérése…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Feladat lekérésének időtúllépése" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro időtúllépéssel várt a „MoleQueue” (Molekulasor) kész feladat " "részleteire." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Hiba történt a feladat elküldésekor" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "A feladatot a „MoleQueue” (Molekulasor) elutasította: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nincs kijelölt program." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Kérjük, jelölje ki a célprogramot a „Várakozási sor és program” listából." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Az ügyfél feladatküldése a „MoleQueue” (Molekulasor)-hoz nem sikerült." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Belső hiba." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "A kijelölt program feloldása nem sikerült. Ez egy hiba." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" "Nincs molekula beállítva a „BackgroundFileFormat” (HáttérFájlformátum) " "fájlban!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nincs Io::FájlFormátum beállítva a HáttérFájlFormátum-ban!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" "Nincs fájlnév beállítva a „BackgroundFileFormat” (HáttérFájlformátum) " "fájlban!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Felosztás vízszintesen" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Felosztás függőlegesen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogén" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hélium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lítium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berillium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bór" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Szén" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogén" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigén" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Nátrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnézium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumínium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Szilícium" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Foszfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Kén" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klór" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kálium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Szkandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titán" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanádium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Króm" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangán" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Vas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Réz" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germánium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arzén" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Szelén" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bróm" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubídium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ittrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Cirkónium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Nióbium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdén" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technécium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruténium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Ródium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palládium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Ezüst" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Ón" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimón" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellúr" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jód" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cézium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bárium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantán" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cérium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Prazeodímium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodímium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promécium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Szamárium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Európium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolínium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Diszprózium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Túlium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Itterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutécium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantál" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfrám" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rénium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Ozmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Irídium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Arany" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Higany" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Ólom" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polónium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Asztácium" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Rádium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktínium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tórium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktínium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urán" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptúnium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutónium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerícium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kűrium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkélium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelévium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobélium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Borium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hasszium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Röntgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernícium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihónium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleróvium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moszkóvium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermórium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesszium" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganeszon" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Tallózás" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Fájl kijelölése:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Végrehajtható fájl kijelölése:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "A kijelölt fájl fájlolvasója nem található." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "A fájl kiterjesztése hiányzik, így a formátum nem határozható meg. Hozzá " "szeretné adni?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "A kijelölt fájl fájlírója nem található." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "kezelők" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "kezelő" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "olvasók" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "megnyitás" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "írók" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "író" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Több %1 azt találta, hogy képes %2 ebben a formátumban. Melyiket kell " "használni?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Minden fájl" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Minden támogatott formátum" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Hiba történt a molekulaábrázolás olvasásakor: Felismerhetetlen fájlformátum: " "%1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 üzenet" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 figyelmeztetés" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 hiba" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Hiba történt a molekulaábrázolás karakterláncba írása során: " "Felismerhetetlen fájlformátum: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Hiba történt a molekulaábrázolás karakterláncba írása során: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "Hiányzik a(z) „userOptions” (felhasználóiBeállítások)." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "„%1” beállítás nem található." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "A „type” (típus) nem karakterlánc a(z) „%1” beállításhoz." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Cím" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "A fájlnév alapja" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Processzormagok" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memória" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Számítás típusa" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Elmélet" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Bázis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Töltés" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Többszörösség" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Oldószer" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Modell" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Felhasználónév" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Jelszó" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Ismeretlen beállítási típus „%1” a(z) „%2” beállításnál." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Hibás történt a(z) „%1” beállítás alapértelmezett beállításakor. Hibás " "vezérlői típus." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Hibás történt a(z) „%1” beállítás alapértelmezett beállításakor. Hibás " "alapértelmezett érték:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Hibás történt a(z) „%1” beállítás alapértelmezett beállításakor. Nem " "található érvényes kombinált bejegyzés tárgymutató az értékből:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" "Nem kezelt vezérlő a „collectOptions” (Beállítások gyűjtése) menüben a(z) " "„%1” beállításhoz." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[nincs molekula]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "%1. réteg" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Labda és bot modell" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Fehérje szalagok" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Szoros érintkezések" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristályrács" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Erő" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Címkék" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Vonal/pálcamodell" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Felületek" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Nem kovalens kötések" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "Molekulák atomjainak kvantumelmélete" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Szimmetria elemek" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Kötetek" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drótváz" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Referenciatengelyek" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Névtelen" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Molekula szerkesztése" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Nincs mentve" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Új nézet létrehozása" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periódusos táblázat" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "A csomag módhoz pixi szükséges, de az nem található." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Hiba történt a parancsfájl futtatásakor „%1 %2”: Időtúllépés várt a kezdésre " "(%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Hiba történt a(z) „%1 %2” parancsfájl futtatásakor: nem sikerült írni az " "„stdin”-nek (len=%3, %4 bájtot írt, QProcess hiba: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Hiba történt a(z) „%1 %2” parancsfájl futtatásakor: Időtúllépés vár a " "befejezésre (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Hiba történt a(z) „%1 %2” parancsfájl futtatásakor: Rendellenes kilépési " "állapot %3 (%4: %5)\n" "\n" "Kimenet:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Figyelmeztetés „%1”" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Hiba történt a nyers adatok kérés stdin parancsfájlba írása közben " "(hosszúság=%1, %2 bájt írva, Q-folyamathiba: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "A parancsfájl indítása nem sikerült." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "A parancsfájl összeomlott." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "A parancsfájl ideje lejárt." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Olvasási hiba." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Írási hiba." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Ismeretlen hiba." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Rétegek módosítása" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Réteg eltávolítása" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Rétegadatok eltávolítása" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Réteg hozzáadása" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Rétegadatok hozzáadása" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Réteg módosítása" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Atom hozzáadása" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Atom eltávolítása" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Atomok törlése" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Hidrogénatomok beállítása" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elemek módosítása" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Elem cseréje" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Atom hibridizáció módosítása" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Atom formális töltésének módosítása" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Atom színének módosítása" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Maradék színének módosítása" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Atomréteg módosítása" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Kötés hozzáadása" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Kötés eltávolítva" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Kötések törlése" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Kötésrendek beállítása" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Kötésrend módosítása" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Kötések frissítése" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Kötés frissítése" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Egységcella hozzáadása…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Egységsejt eltávolítása" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Egységsejt szerkesztése" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Atomok a sejtbe körbefolyatása" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Sejttérfogat méretaránya" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Felsősejt összeállítása" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli-csökkentés" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Szabványos tájolás elforgatása" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Egyszerű csökkentése" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Sejt hagyományosítása" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Sejt átváltozása szimmetriára" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Egységsejt kitöltése" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Sejt csökkentése aszimmetriaegységre" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Atompozíciók módosítása" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Atompozíció módosítása" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Atomfelirat módosítása" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Kötéscímke módosítása" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Kijelölés módosítása" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekula módosítása" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Beállítások" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Számítás…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Kevesebb mint egy másodperc van hátra" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n másodperc van hátra" msgstr[1] "%n másodperc van hátra" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n perc van hátra" msgstr[1] "%n perc van hátra" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 óra %n perc van hátra" msgstr[1] "1 óra %n perc van hátra" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n óra van hátra" msgstr[1] "%n óra van hátra" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3Dmol HTML-blokk." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fájl" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportálás" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "3Dmol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Elemek módosítása…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "Fe&lépítés" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elem:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alkímia" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Az atomok elemeinek megváltoztatása." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Rendezés" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Molekulák igazítása\n" "\n" "Bal egér:\tVálasszon ki legfeljebb két atomot.\n" "\tAz első atom középpontjában az origó található.\n" "\tA második atom a kiválasztott tengelyhez igazodik.\n" "Jobb egér:\tÁllítsa vissza az igazítást.\n" "Dupla kattintás:\tAz atom középpontba állítása az origóban." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Tengely:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Igazítsa az eredethez" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Igazítsa a tengelyhez" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Központosítsa az atomot az eredetre." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" "Forgassa el a molekulát, hogy az atomot a megadott tengelyhez igazítsa." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Igazítóeszköz" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Molekulák rendezése Descates-tengelyre" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS futtatása…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Kimeneti fájl megnyitása…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Bemenet" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Kimeneti fájl megnyitása" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-fájl (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Bemeneti/kimeneti hiba" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Hiba történt a szerkezetfájl (%1) olvasásakor." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX hiba" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Hiba történt az OpenDX fájl olvasásakor: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Hiba történt az OpenDX fájl olvasásakor: Kocka nem található" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS-közművek kölcsönhatása." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB-fájl megnyitása" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-fájlok (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR-fájl megnyitása" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-fájlok (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Hiba történt" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Hiba történt az APBS futtatásakor: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Kérjük, adja meg a PDB (Protein Data Bank - Fehérje adatbank)-fájlt" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Sikerült" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Létrehozva %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Hiba a PDB2PQR futtatásakor" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS bemeneti fájl mentése" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS-bemenet (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Bemeneti fájl mentve ide: %1" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "%1 fájl mentése nem sikerult." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Egyedi szín szerint…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Atomi tárgymutató szerint…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Távolság szerint…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Elem szerint" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Lánc szerint" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Részleges töltés szerint…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Másodlagos szerkezet szerint" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Aminosav szerint" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Formásséma szerint" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Hőség" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Forró" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Szürke" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Pokol" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spektrális" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Hideg meleg" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Egyensúly" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Kék-sötétvörös" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbó" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Színsémák alkalmazása az atomokra és a maradékokra." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Nézet" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Atomok színezése" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Maradék színezése" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Színleképezés kijelölése" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Színleképezés:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Tárgymutatószínek alkalmazása" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Töltési színek alkalmazása" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Távolságszínek alkalmazása" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Atomszínek visszaállítása" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Egyéni szín alkalmazása" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Egyéni maradékszín alkalmazása" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Maradék színek visszaállítása" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Másodlagos szerkezeti színek alkalmazása" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Aminosav-színek alkalmazása" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Formás színek alkalmazása" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Színek alkalmazása" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Automatikus optimalizálás" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimalizálás" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinamika" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Feladat:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Módszer:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Hőmérséklet:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Időlépés:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Indítás" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Leállítás" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Geometria optimalizálása" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molekuladinamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 hőmérséklet = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔEnergia = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Automatikus optimalizálás eszköz" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "A molekuláris geometria interaktív optimalizálása" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atomi méretarány" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Kötési méretarány" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Átlátszóság" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Többszörös kötések megjelenítése" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Hidrogénatomok megjelenítése" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" "Atomok, mint gömbök megjelenítése. Kötések, mint hengerek megjelenítése." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Kötésközpontú kezelése" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Kötésközpontú-művelőeszköz\t(%1)\n" "\n" "Bal egérgomb:\tKattintson és húzza a nézet elforgatásához.\n" "Középső egérgomb:\tKattintson és húzza a nagyításhoz vagy kicsinyítéshez.\n" "Jobb egérgomb:\tKattintson és húzza a nézet mozgatásához.\n" "Dupla kattintás:\tA nézet visszaállítása.\n" "\n" "Kattintson a bal egérgombbal, és húzza a kötvényt a műveletsík " "beállításához.\n" "Kattintson a bal egérgombbal, és húzza az egyik atomot a kötésben a szög " "megváltoztatásához.\n" "Kattintson a jobb egérgombbal, és húzza az egyik atomot a kötésben a hossz " "megváltoztatásához." #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Kötésközpontú-művelőeszköz." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "A molekuláris geometria szerkesztésére szolgáló eszköz a kötéshosszak és " "kötésszögek módosítatásával." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Kötésatomok" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Kötésrendek érzékelése" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Kötések eltávolítása" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Kötési beállítások…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Kijelölt atomok kötése" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Kötés" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Kötések eltávolítása az összes vagy a kijelölt atomról." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Kötések létrehozása az összes vagy a kijelölt atom között." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Kötésrendek érzékelése." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Kötés" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Kötési műveletek végrehajtása." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Szerkezeti váz" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Nyomkövetés" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Cső" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Szalag" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Egyszerű fehérje szalag" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Fehérje szalag" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Kötél" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Biomolekula szalagok / fehérje szalagok megjelenítése." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Súlypont hozzáadása" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Tömegközéppont hozzáadása" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Merőleges hozzáadása" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Súlypont" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Súlypontok és tömegközéppont hozzáadása." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Legnagyobb távolság:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Vonalvastagság:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Érintkezés" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Sóhíd" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Taszító" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Atomok között szoros érintkezések megjelenítése." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "Ki&terjesztések" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "&Parancsfájlok" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Hiba történt a(z) „%1” kimeneti fájl olvasásakor:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "%1 feldolgozása" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Python-értelmező elérési útja beállítása:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Python-értelmező kijelölése a külső parancsfájlok futtatásához.\n" "Az Avogadro alkalmazást újra kell indítani, hogy a módosítások érvénybe " "lépjenek." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Parancsfájlok" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Külső parancsfájl futtatása" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python beállításai…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Python telepítése" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "A Python számos Avogadro szolgáltatáshoz használatos. Szeretné letölteni a " "Python-t?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Python beállítása" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Python-környezetek beállításai." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Egyéb…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Korlátozások…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "S&zámítás" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Korlátozások" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Geometria optimalizálási korlátozások beállítása" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Távolság" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Szög" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Csavarodásszög" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Atom fagyasztása" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "X tengely fagyasztása" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Y tengely fagyasztása" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Z tengely fagyasztása" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Típus" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Érték" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "1. atom" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "2. atom" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "3. atom" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "4. atom" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atom&koordináta-szerkesztő…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordináta-szerkesztő" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Az atomkoordináták szövegszerkesztése." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Felülírni a módosításokat?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "A szöveges dokumentum módosult. Szeretné elvetni a módosításokat, és " "visszatérni a jelenlegi molekulához?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Túl kevés bejegyzés a sorban." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Érvénytelen elemnév." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Elemnév." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Érvénytelen kémiai elem szimbóluma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Kémiai elem szimbóluma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Érvénytelen atomcímke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Érvénytelen atomindex." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomi index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Érvénytelen atomszám." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomszám." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Érvénytelen koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "a-hálókoordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "b-hálókoordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "c-hálókoordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Hiba történt a geometria alkalmazásakor" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Nem sikerült elemezni a geometria meghatározását. Javítsa ki a kiemelt " "hibákat, és próbálja újra.\n" "\n" "(Tipp: A hiba leírásához tartsa az egeret a piros szöveg fölé.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Atomkoordináták szerkesztése" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Egyéni" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-formátum (szimbólumok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-formátum (nevek)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-formátum (atomszámok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Hálókoordináták (szimbólumok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Hálókoordináták (nevek)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Hálókoordináták (atomszámok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-formátum (szimbólumok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-formátum (nevek)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "TURBOMOLE-formátum" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Másolás" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Kivágás" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Törlés" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Beillesztés" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "Egyszerűsített molekuláris bemeneti vonalbeviteli rendszer" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "S&zerkesztés" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Másolás másként" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Hiba történt a molekula kivágásakor" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Hiba történt a vágólapra vonatkozó adatok létrehozásakor." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Kimeneti formátum: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Olvasó hiba:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Hiba történt a molekula beillesztésekor" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Nem lehet beilleszteni a molekulát: Üres a vágólap!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Hiba történt a vágólap adatainak olvasásakor." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Felismert formátum: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Másolás és beillesztés" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Vágólap kölcsönhatása." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K bemenet" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "CP2K bemenetének létrehozása." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energia és erők" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometria optimalizálása" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Elektronikus szerkezeti módszerek (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekulamechanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrid klasszikus kvantum (Még nem támogatott)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "EGYIK SEM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "MAG" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "TÖRVÉNYEK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "ELŐZMÉNYEK_TÖRLÉSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC (Molecular Orbital PACkage - Molekuláris orbitális csomag)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "VÉLETLEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "ÚJRAINDÍTÁS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Konjugált grádiensek" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" "DIIS (direct inversion in the iterative subspace - közvetlen inverzió az " "iteratív alűrben)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Legmeredekebb ereszkedés" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "A bemeneti fájl módosult. Szeretné felülírni a módosításokat, hogy azok " "tükrözzék az új geometriát vagy feladatbeállításokat?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Felülírja a módosított bemeneti fájlt?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "CP2K bemeneti fájl mentése" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "CP2K számítás elküldése" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Kristály importálása a vágólapról…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Egységsejt váltása" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Egységsejt szerkesztése…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "Atomoktól egységcelláig &körbefolyatása" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Szabványos tájolás el&forgatása" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Sejt&térfogat méretaránya…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "&Felsősejt összeállítása…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Sejtcsökkentés (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kristály" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&Egységsejt eltávolítása" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "&Egységsejt hozzáadása" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Kristály importálása a vágólapról" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Atomoktól egységcelláig körbefolyatása." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Egységcella elforgatása a szabványos tájolásba." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli csökkentett kristály" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Az egységsejt már csökkent." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristály" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Kristályspecifikus szerkesztő/elemző eszközök." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Színes tengelyek:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Vonal színe:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Egység sejt határainak megjelenítése." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Szöveg nem elemezhető" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Nem sikerült az adatok olvasása a megadott formátummal." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Nincs egységsejt." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Egységsejtszerkesztő" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Az egyedülálló sejtmátrix figyelmen kívül hagyása" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Az egyedülálló frakcionális sejtmátrix figyelmen kívül hagyása" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "&Egyéni elemek újra hozzárendelése…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Egyéni elemtípusok manipulálása a jelenlegi molekulában." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Egyéni elemek" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipólusmomentum" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Molekula dipólusmomentumának megjelenítése." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Rajzolás" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Rajzeszköz\t(%1)\n" "\n" "Bal egérgomb:\tKattintson és húzza az atomok és a kötés létrehozásához\n" "Jobb egérgomb:\tAtom törlése" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Atom rajzolása" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Kötés típusának módosítása" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Kötés eltávolítása" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Távolság:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Szerkesztő eszköz" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Önműködő" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Egyszeres" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Kétszeres" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Háromszoros" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importálás" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB (Protein Data Bank - Fehérje adatbank) lekérése" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "A PDB-molekula nem olvasható: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB (Protein Data Bank - Fehérje adatbank) kód" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Letöltendő kémiai szerkezet." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Érvénytelen PDB-kód" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "A PDB-kódnak pontosan 4 karakter hosszúnak kell lennie." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "A PDB-kód első karakterének 1-9 között kell lennie." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "%1 lekérdezése" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Hálózati letöltés nem sikerült" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Hálózati időtúllépés vagy más hiba." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "A megadott molekula nem található: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB (Protein Data Bank - Fehérje adatbank) lekérése" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "PDB-modellek letöltése a fehérjeadatbankból" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Összpontosítás kijelölése" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Összpontosítás eltávolítása" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Összpontosítás" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Meghatározott jellemzőkre összpontosítása a nézetben." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Atomi erőtérek képi megjelenítése a molekula számára." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Erők" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Beállítások…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Kijelölt atomok fagyasztása" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "X fagyasztása" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Y fagyasztása" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Z fagyasztása" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Kijelölt atomok fagyásának feloldása" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Kijelölt atomok egyesítése" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Kijelölt atomok egyesítésének feloldása" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Nincsenek atomok az optimalizáláshoz" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energia: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 energia = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Erő Norm = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Erőtér optimalizálása" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Erőtér minimalizálás, parancsfájlok beleértve" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Beállítások…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Érvénytelen modellbeállítások" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Nem sikerült elemezni a(z) „%1” modell felhasználói beállításait." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 beállításai" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatikus felismerés (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Egyetemes erőtér" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Általánosított borostyánsárga erőtér" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck molekuláris erőtér 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS bemenet" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESS bemenetének létrehozása." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Egyetlen pont" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Egyensúlyi geometria" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Átmeneti állapot" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvenciák" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "EFP készítés" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Mag potenciál" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nincs" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gáz" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Víz" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Szinglett" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dublett" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplett" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Semleges" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "GAMESS bemeneti fájl mentése" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "GAMESS számítás elküldése" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "Hidrogénatomok &beállítása" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Hidrogénatomok hozzáadása" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Felesleges hidrogénatomok el&távolítása" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Minden hidrogénatom eltávolítása" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Hidrogénatomok hozzáadása/eltávolítása a jelenlegi molekulából." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrogénatomok" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogénatomok" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "PQR-&keresés…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR importálása" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR-molekula letöltése." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNS/RNS…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Beszúrás" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNS/RNS beszúrása…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Molekula beszúrása…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "3D molekula létrehozása…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNS beszúrása" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "DNS/RNS-töredékek beszúrása párbeszédpanelen keresztül." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristály…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Hiba történt a fájl olvasásakor (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Kristály importálása" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Töredék beillesztése" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Töredék beillesztése" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Molekulatöredék beillesztése nagyobb molekulák létrehozásához." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptid…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Peptid beszúrása" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "Peptid beszúrása" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Oligopeptid sorozatok beillesztése." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Szín:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Távolság a központtól:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Címkeméret:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Tárgymutató" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Egyedi azonosító" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elem" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Elemnév és elemszám" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Elem és azonosító" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Részleges töltés" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atomi címke:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Hosszúság" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Kötéscímke:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "Azonosító" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Név" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Név és azonosító" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Maradékcímke:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Címkék megjelenítése labda és bot modellben." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Címkék szerkesztése" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Címke létrehozása" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Címkeszerkesztő eszköz" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS bemenet" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "LAMMPS bemenetének létrehozása." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Szeretné frissíteni az előnézeti szöveget, elveszítve a LAMMPS (Large-scale " "Atomic/Molecular Massively Parallel Simulator - nagyméretű atomi/molekuláris " "tömegesen párhuzamos szimulátor) bemeneti fedélzet előnézeti ablaka összes " "módosítását?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Átlátszóság:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Atom megjelenítése vonal- vagy pálcamodell szerint." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Leírók nem találhatók!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Nem található sorformátumú olvasó!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "A kért formátumolvasó betöltése nem sikerült." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Nem található koordináta!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "A 3D koordináták létrehozása nem sikerült." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "SorFormátumúBemenet" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Egysoros molekulaleírók betöltése egy beviteli párbeszédpanelen keresztül." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulálás" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Művelőeszköz\t(%1)\n" "\n" "Bal egérgomb:\tKattintson és húzza az atomok mozgatásához.\n" "Jobb egérgomb:\tKattintson és húzza a kijelölt atomok elforgatásához." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipuláló eszköz" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mérés" #: qtplugins/measuretool/measuretool.cpp:54 #, fuzzy, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Méretezőeszköz\t(%1)\n" "\n" "Bal egérgomb:\tJelölés ki legfeljebb négy atomot.\n" "\tA távolságokat 1-2 és 2-3 között mérik\n" "\tA szöget 1-3 között mérik, 2-vel közös pontként\n" "\tA diéderest 1-2-3-4 között mérik\n" "Jobb egérgomb:\tÁllítsa vissza a méréseket." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diéderes:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Szög:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Méretezőeszköz" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(függőben)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Tulajdonság" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molekulanév" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molekulatömeg (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Monoizotópos tömeg (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Kémiai képlet" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Atomok száma" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Kötések száma" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Koordinátakészletek" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Maradékok száma" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Láncok száma" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Nettó töltés" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Nettó centrifugálási többszörösség" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Dipólusmomentum (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Összenergia (hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nullapont energia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entrópia (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs-energia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Pontcsoport" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molekuláris…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Molekula általános tulajdonságok megtekintése." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Elemzés" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Tulajdonságok" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekula tulajdonságai" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molekula tulajdonságai" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Exportálás CSV-fájlként" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-fájlok (*.csv);;Minden fájl (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Nem lehetett megnyitni a fájlt íráshoz." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Hiba történt a fájl írása közben." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Exportálás…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigálás" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Navigációs eszköz\t(%1)\n" "\n" "Bal egérgomb:\tKattintson és húzza a nézet elforgatásához.\n" "Középső egérgomb:\tKattintson és húzza a nagyításhoz vagy kicsinyítéshez.\n" "Jobb egérgomb:\tKattintson és húzza a nézet mozgatásához." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Forgassa el a jelenetet az x, y vagy z tengely mentén." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "A jelenet nagyítása." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Jelenet áthelyezése." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "A nagyítás fordított iránya a görgetésen" #: qtplugins/navigator/navigator.cpp:108 #, fuzzy msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Alapértelmezett:\tLefelé görgetés a kicsinyítéséhez, felfelé görgetés a " "nagyításához\n" "Fordított:\tFelfelé görgetés a kicsinyítéséhez, lefelé görgetés a " "nagyításához" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigációs eszköz" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kémiai név" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Hálózati adatbázisok" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Online adatbázisokkal, lekérdezési struktúrákkal kölcsönhatása." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Szögtűrés:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogén" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Kalkogén" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Néhány nem kovalens kölcsönhatás megjelenítése." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Erőtér beállítása…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Alkalmazkodás keresése…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Kötések érzékelése" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Hidrogénatomok hozzáadása a pH szint értékhez…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Hidrogénatomok eltávolítása" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nem található! Az Open Babel beépülő modul műveleteinek letiltása." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel kémiai eszköztár" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Az „Open Babel” kémiai eszköztár fájlformátumok nem állnak készen a " "hozzáadásra." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Molekula betöltése az Open Babelből…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Belső hiba történt: OpenBabel::readMolecule meghívva, de az elemzéshez nem " "elérhető obabel kimenet!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Hiba történt az „Open Babel” kémiai eszköztár (%1) futtatása közben." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Hiba történt az „Open Babel” kémiai eszköztár kimenet elemzésekor." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Hiba történt a támogatott erőterek listájának lekérésekor. („%1” " "használatával)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "A molekula érvénytelen. Nem lehet optimalizálni a geometriát." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "A geometria nem optimalizálható az „Open Babel” kémiai eszköztárával." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Geometria optimalizálása („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Létrehozás folyamatban…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Belső hiba történt a jelenlegi molekula Open Babel-képviseletének " "létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 indítása…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "%1. lépés, összesen: %2\n" "Jelenlegi energia: %3\n" "ΔE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Molekula frissítése…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Hiba történt az „Open Babel” kémiai eszköztár kimenet értelmezésekor." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Az obabel kimenetben lévő atomok száma (%1) nem egyezik meg az eredeti " "molekula atomjainak számával (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molekula érvénytelen. Nem lehet létrehozni az alkalmazkodásokat." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" "Nem lehet létrehozni az alkalmazkodásokat az „Open Babel” kémiai eszköztár " "használatával." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Alkalmazkodások („Open Babel” kémiai eszköztár) létrehozása" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Alkalmazkodások létrehozása" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" "A fájl megnyitása nem sikerült az „Open Babel” kémiai eszköztár " "használatával." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Érvénytelen molekula: A kötések nem érzékelhetők." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Kötések érzékelése („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "XYZ-képviselet létrehozása…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Hiba történt az XYZ karakterlánc létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Az XYZ átalakítása Open Babel-re a következővel: %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "A molekula frissítése az Open Babelből…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" "Hidrogénatomok hozzáadása nem lehetséges az „Open Babel” kémiai eszköztárral." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Hidrogénatomok hozzáadása („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "„Open Babel” kémiai eszköztár bemenetének létrehozása…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" "Hiba történt az „Open Babel” kémiai eszköztári bemenetének létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "%1 futtatása…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Hidrogénatomok hozzáadása a pH szint értékhez" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "obabel bemenetének létrehozása…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" "Hidrogénatomok eltávolítása nem lehetséges az „Open Babel” kémiai " "eszköztárával." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Hidrogénatomok eltávolítása („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Hiba történt az „Open Babel” kémiai eszköztári adatok létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Az obabel bemenet olvasása…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Az „Open Babel” kémiai eszköztár futtatása folyamatban van. Várja meg a " "másik művelet befejeződését, majd próbálja meg újból." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "Open Babel kémiai eszköztár" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "„Open Babel” kémiai eszköztár kölcsönhatása." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM parancsfájl…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM bemenet" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "OpenMM bemenetének létrehozása." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Szeretné frissíteni az előnézeti szöveget, elveszítve az OpenMM bemeneti " "fedélzet előnézeti ablaka összes módosítását?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Igaz" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "A referenciatengelyek megjelenítése a kijelző sarkában." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Bővítmények kezelése…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Csomagtelepítő" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Avogadro csomagok telepítése, frissítése és eltávolítása." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Hiba történt a bővítménylista letöltése közben: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Hiba: üres válasz a kiszolgálótól." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Hiba történt a README-fájl lekérésekor: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Semmi nincs kijelölve" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" "Jelölje be a bővítmény melletti négyzetet a telepítéshez vagy frissítéshez." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (%2 szükséges)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Verzióinkompatibilitás" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "A következő bővítményekhez az Avogadro újabb verziója szükséges:\n" "\n" "%1\n" "\n" "Mégis folytatja a telepítést?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "Nincs elérhető letöltés" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "A tervezett bővítmény(ek) nem biztosítanak letölthető forrás URL-címet:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Nem sikerült követni az átirányítást a(z) %1 letöltése közben.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Nem sikerült letölteni innen: %1: állapot %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Nem sikerült letölteni innen: %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1-%2 letöltése\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "%1 kicsomagolása…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Kicsomagolás befejeződött (%1 fájl)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Hiba: nem sikerült áthelyezni a kicsomagolt csomagot (%1) ide: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Kicsomagolási hiba: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "A kicsomagolás nem hozott eredményt fájlokból.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "A telepítés sikeresen befejeződött.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nincs mit eltávolítani" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" "Jelölje be a telepített bővítmény melletti négyzetet az eltávolításához." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Bővítmények eltávolítása" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Szeretne eltávolítani %n kijelölt bővítményt?" msgstr[1] "Szeretne eltávolítani %n kijelölt bővítményt?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Fájlok megtartása" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Fájlok törlése" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Bővítménykönyvtár kijelölése" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Érvénytelen könyvtár" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "A kijelölt könyvtár nem tartalmaz pyproject.toml-fájlt." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "A bővítmény már telepítve van szimbolikus hivatkozásként: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Létrehozott szimbolikus hivatkozás: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" "Nem sikerült létrehozni a szimbolikus hivatkozás; ehelyett fájlokat " "másolni…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Nem sikerült a csomagot másolni ide: %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Bővítmény telepítése innen: %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Nincs telepítve" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Telepítve (naprakész)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Frissítés érhető el" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Helyileg telepítve (nem szerepel az online katalógusban)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Avogadro %1 vagy újabb verziót igényel (jelenleg a %2 verzió fut)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Állapot" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Verzió" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Jellemzők" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Leírás" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Elektrosztatika" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Energiamodellek" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Fájlformátumok" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Bemenet-létrehozók" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Parancsok" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "HIBA: a zip-fájl nem nyitható meg a tartalom listázásához.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "HIBA: nem sikerült megnyitni a zip-fájlt a fájlok kicsomagolásához.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Figyelmeztetés: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Lejátszó" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Élénkség eszköz (%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Képkocka:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Kezdés:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Befejezés:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dinamikus kötések?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Képkockasebesség:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " képkocka/másodperc" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Lejátszás" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Felvétel…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Szüneteltetés" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Rajzfilmfájl (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Bittérképes grafika exportálása" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Rajzfilmfájl (*.mp4);;Rajzfilmfájl (*.avi);;GIF-fájl (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF-fájl (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF-fájl képkocka/másodperc támogatási figyelmeztetés" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "A GIF-fájlformátum nem támogatja a 100 képkocka/másodperc feletti " "képsebességet." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Rajzfilmfájl (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Hiba történt: nem sikerült képkockát hozzáadni a videóhoz." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Lejátszó eszköz" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Pályák lejátszása" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Alkalmazkodások adatok ábrázolása…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Alkalmazkodás elemzése" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Ábra típusa:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "Gyök-közép-négyzet eltérés" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Sebességek" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Energiaegységek:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "/" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "Gyök-közép-négyzet eltérés (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Relatív energia (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Erők (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Sebesség (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "Alkalmazkodás-ábrázoló" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" "Alkalmazkodás adatok létrehozása és ábrázolása (Gyök-közép-négyzet eltérés " "vagy energia)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Pár eloszlásfüggvény ábrázolása…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Nem sikerült létrehozni a pár eloszlásfüggvény (PDF) mintát" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Hibaüzenet: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "Pár eloszlásfüggvény ábrázolása" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Pár elosztásfüggvény létrehozása és ábrázolása." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Elméleti röntgendiffrakciós minta ábrázolása…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Röntgendiffrakciós minta létrehozása nem sikerült" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" "Nem sikerült átalakítani a molekulát kristálytani információs fájlformátumba " "(CIF-fájl)." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "A genXrdPattern-ből olvasott adatok sérültnek tűnnek!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Hiba történt: nem található genXrdPattern végrehajtható fájl!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Hiba történt: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "Röntgendiffrakciós minta ábrázolása" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "Elméleti röntgendiffrakciós minta létrehozása és ábrázolása ObjCryst ++ " "használatával." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Frissítés" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Hiba történt a beépülő modul adatainak letöltése közben." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Hiba történt a beépülő modul adatainak elemzése közben." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Ehhez a beépülő modulhoz bizonyos csomagok telepítése szükséges.\n" "Telepíteni szeretné őket?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Mindig" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Soha" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" "Nem sikerült letölteni a(z) %1 URL-címről: HTTP-állapotkód: %2, hibaüzenet: " "%3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1-%2 kicsomagolása\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1 fájl befejezve\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "A fájlok kicsomagolása sikeresen megtörtént.\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Hiba történt a kicsomagolás során: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Telepítés megszakítva\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Beépülő modulok letöltése…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Beépülő modulok letöltése" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Beépülő modulok letöltése a GitHub adattáraiból." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY megjelenítése…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Fájl mentése" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY-fájl (*.ply);;Szövegfájl (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "A jelenet megjelenítése a PLY használatával." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray megjelenítése…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray-fájl (*.pov);;Szövegfájl (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" "A jelenet megjelenítése a látás kitartása sugárjelző (POV-Ray) segítségével." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Kattintson a szín módosításához" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Vegyérték" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Hivatalos töltés" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 részleges töltés" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Címke" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Izotóp" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Szín" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "&Atomanimáció indítása" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Utolsó atom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Kötésrend" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Hosszúság (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Lánc" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Másodlagos szerkezet" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogén" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Csúcs" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Szög (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "Gyök-közép-négyzet eltérés (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energia (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Töredék beállítása" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-spirál" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Hajlítás" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-spirál" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-lap" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3_10-spirál" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-híd" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Fordulás" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Tekercs" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Kötés tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Szög tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Csavarodás tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Maradék tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Alkalmazkodás tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Táblázatok az atom-, kötés-, szög- és csavarodás tulajdonságok " "megjelenítésére és szerkesztésére." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tulajdonságtáblázok" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atom tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Kötés tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Szög tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Csavarodás tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Alkalmazkodás tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Maradék tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Részleges töltés típusa" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Részleges töltés típusának kijelölése:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Töltés típusának módosítása…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Atom fagyasztása" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "X fagyasztás" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Y fagyasztás" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Z fagyasztás" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Atom fagyásának feloldása" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Kötéskorlátozás" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Szögkorlátozás" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Csavarodáskorlátozás" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Korlátozás eltávolítása" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Nem sikerült beolvasni a(z) %1 fájlt." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Nem sikerült létrehozni az ideiglenes fájlt." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "Molekulák atomjainak kvantumelmélete" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" "Egyszerű kijelző az atomok kvantumelméletével a molekulák tulajdonságaiban" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekuladiagram…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molekuláris ábrázolása magányos párral…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomi töltés…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "WFN-fájl megnyitása" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-fájlok (*.wfn);;Minden fájl (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Molekulák atomjainak kvantumelmélete kiterjesztése" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Kvantum bemenet" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Kvantumkódok bemenetének létrehozása." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Középre" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Nézet igazítása a tengelyekhez" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Nézet igazítása a tengelyekhez." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Nézet visszaállítása" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Nézet kamera manipulálása." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Parancsfájl töltési modellek" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Elektrosztatikus modellek betöltése külső parancsfájlokból." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Parancsfájl formátumok" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Fájlolvasók/fájlírók betöltése külső parancsfájlokből." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Összes kijelölése" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Kijelölés megszüntetése" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Kijelölés megfordítása" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Elem szerinti kijelölése…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Atomindex szerint kijelölése…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Maradék szerint kijelölése…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Gerincatomok kijelölése…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Oldalláncatomok kijelölése…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Víz kijelölése" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Kijelölés nagyítása" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Kijelölés csökkentése" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Új réteg létrehozása a kijelölésből" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Kijelölések módosítása" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Ki&jelölés" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Elem kijelölése" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Gerincatomok kijelölése" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Oldalláncatomok kijelölése" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Index szerint atom kijelölése" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomok kijelölése:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Atom kijelölése" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Maradék szerint atomok kijelölése" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Maradékok kijelölésondó:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Maradékatomok kijelölése" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Kijelölés" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Kijelölés" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Kijelölőeszköz\t(%1)\n" "\n" "Bal egérgomb:\tKattintson ide az egyes atomok, maradékok vagy töredékek " "kijelöléséhez\n" "\tHúzással jelöl ki az atomok tartományát\n" "Jobb egérgomb:\tKattintson a molekulán kívülre a kijelölés törléséhez\n" "Dupla kattintás:\tJelöl ki egy teljes töredéket." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Atomok kirajzolása" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Kijelölőeszköz" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Új réteg" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Tércsoport észlelése…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Szimmetria átváltozása" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Aszimmetriaegységre csökkentése" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Tűréshatár beállítása…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Egységsejt kitöltése…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Áthelyezési cella kitöltése…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Tércsoport" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Szimmetrikus atomok kitöltése a kristálytércsoport alapján." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Az összes atom kitöltése a kristálytércsoport alapján." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Tércsoport észlelése" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "A tércsoport már be van állítva a következőre: %1.\n" "Szeretné felülírni?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Hiba" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Tércsoport észlelése nem sikerült.\n" "Új tűréshatárral próbálja újra?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Egyszerű csökkentése" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "A tűréshatár jelenleg: %1.\n" "Folytassa ezzel a tűréshatárral?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Az egyszerű csökkentése nem sikerült.\n" "Kérjük, ellenőrizze a kristályt, és próbálkozzon újra más tűréssel." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A sejt hagyományosítása nem sikerült.\n" "Kérjük, ellenőrizze a kristályt, és próbálkozzon újra más tűréssel." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A szimmetria nem sikerült.\n" "Kérjük, ellenőrizze a kristályt, és próbálkozzon újra más tűréssel." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Tűréshatár kijelölése (Å):" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triklinika" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoklinika" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Ortorombos" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Négyszögű" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonális" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Romboéderes" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hatszögletű" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Kocka alakú" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Egyszerű sejt észlelve" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "A cella hagyományosítása nem sikerült." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Külföldi" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Terem" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Kristályrendszer" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Tércsoport kijelölése" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Tércsoport" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "A tércsoport jellemzői a kristályokhoz." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Spektrumok ábrázolása…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spektrumok" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Spektrábrák megjelenítése." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infravörös" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "VCD (Vibrational circular dichroism – Rezgési körkörös dikroizmus)" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "MCD (Magnetic circular dichroism – Mágneses körkörös dikroizmus)" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Elektronikus" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Körforgásos dikroizmus" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Állapotok sűrűsége" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Háttérszín kijelölése" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Előtérszín kijelölése" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Számított spektrum színének kijelölése" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Nyers spektrumok színének kijelölése" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Importált spektrum színének kijelölése" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Hullámhossz (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frekvencia (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Rezgési spektrumok" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Hullámszám (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Átvitel" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Raman-spektrum" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Erősség" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Rezgési körkörös dikroizmus" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Mágneses körkörös dikroizmus" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR-spektrum" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Kémiai eltolódás (millió rész)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Elektronikus spektrum" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Körforgásos dikroizmus spektruma" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Sűrűség" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Simított" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Nyers" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Importált" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Adatok importálása" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV-fájlok (*.csv);;TSV-fájlok (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Felület" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Térfogat" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Stílus:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Molekuláris felületek megjelenítése." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Szimmetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Oldószer hozzáférhető" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Oldószer kizárva" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekulapálya" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronsűrűség" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Centrifugálási sűrűség" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "%L1. molekulapálya" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(Legmagasabb elfoglalt molekulapálya)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(Legalacsonyabb szabad molekulapálya)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Fájlból" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " / %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Felületek létrehozása…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Van der Waals felületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Van der Waals molekulafelületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Oldószerrel hozzáférhető molekulafelületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Oldószertől kizárt molekulafelületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Molekulapálya rajzolása." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Elektronsűrűség rajzolása." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Centrifugálási sűrűségének rajzolása." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Fájlhoz mellékelt kocka rajzolása." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Elektronsűrűség számítása folyamatban van…" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Centrifugálási sűrűség kiszámítása folyamatban van…" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Molekuláris pálya kiszámítása: %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "AVI-rajzfilmfájl (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Rajzfilmfájl exportálása" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "MP4-rajzfilmfájl (*.mp4);;AVI-rajzfilmfájl (*.avi);;GIF-fájl (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Felületek beolvasása és megjelenítése." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG-fájl…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG-fájl (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG-fájl" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "A jelenet megjelenítése SVG-fájlban." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Osztály" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Szimmetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Szimmetriatevékenység engedélyezése." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Szimmetria elemek megjelenítése." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Csoport név %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Sablon" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Sablon beszúrása" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Ligand beszúrása" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Sabloneszköz" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Van der Waals gömbök egyszerű megjelenítése." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Élénkség indítása" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Élénkség leállítása" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Rezgési módok…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Rezgési módok párbeszédpanel megjelenítése." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Rezgési mód beállítása." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Rezgési amplitúdó beállítása." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Rezgés-élénkség indítása." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Rezgés-élénkség leállítása." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Rezgés" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Rezgési módok megjelenítése." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Virtuális valóságot modellező nyelv megjelenítése…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML-fájl (*.wrl);;Szövegfájl (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML-fájl" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "A jelenet megjelenítése a virtuális valóságot modellező nyelvvel." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Drótkeret molekulai diagram megjelenítése." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Sávszerkezet kiszámítása…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&YAeHMOP" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Sávstruktúra kiszámítása nem sikerült: nincs egységsejt!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "YAeHMOP (Yet Another extended Huckel Molecular Orbital Package – Még egy " "kiterjesztett Huckel molekuláris orbitális csomag) végrehajtása a következő " "hibával sikertelen:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Nem sikerült a YAeHMOP sávszerkezet kimenet olvasása!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Csak egy különleges k-pont található a YAeHMOP kimenetben! Kettő vagy több " "szükséges!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Sáv: %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi-szint" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Yaehmop nem található" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Hiba: %1 indítása nem sikerült" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "YAeHMOP bemenet" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "YAeHMOP" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Végezzen kiterjesztett Hückel számításokat a YAeHMOP segítségével." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Párbeszéd" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Űrlap" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Számítási beállítások" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Helyőrző szöveg…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Visszaállítás" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Hibakeresési parancsfájl…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Számítás elküldése…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Bemenet mentése…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Várakozási sor és program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Frissítés" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Processzormagok szám foglalása a feladathoz.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processzormagok:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

A feladat befejezése után törölje a távoli " "munkafájlokat. Az eredmények továbbra is a helyi „MoleQueue” (Molekulasor) " "feladat gyorsítótárába kerülnek.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Távoli fájlok törlése amikor befejezve:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Jelölje be, hogy alapértelmezés szerint ne jelenjen " "meg a feladat a „MoleQueue” (Molekulasor) grafikus felhasználói felületén." #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Feladat elrejtése a „MoleQueue” (Molekulasor)-ban:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Rendszerértesítő előugró ablak megjelenítése amikor a " "feladat állapota megváltozik.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Állapot értesítések megjelenítése:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Kimenet megnyitása amikor befejezve:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Elemek átnevezése" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Töredék beillesztése…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Szűrés:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Adjon meg egy nevet vagy annak egy részét, hogy csak a megfelelő fájlok " "jelenjenek meg." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Beszúrás" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3Dmol HTML-kódrészlet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Vágólapra másolás" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Szerkezet bemeneti fájl" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Bemenet létrehozása a (PDB) fehérjeadatbankból" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB (Protein Data Bank - Fehérje adatbank)-fájl:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Erőtér:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "Elemzés" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR futtatása" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Meglévő PQR-fájl megnyitása" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR-fájl:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS bemeneti fájl" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Bemeneti fájl mentése" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS futtatása" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sikerült!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Szerkezetfájl betöltése" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Kockafájl betöltése" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Részleges töltések" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Töltés-modell:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Távolsági tűréshatár:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Legkisebb távolság:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Csak az „alap” konda környezet létezik.\n" "Szeretne új környezetet teremteni az Avogadro számára?\n" "Ez másolatot készít az alapkörnyezetről.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Környezetnév:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "A parancsfájlok kijelölésének futtatására használt Python verzió.\n" "Az Avogadro alkalmazást újra kell indítani, hogy a változtatások életbe " "lépjenek." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Környezet:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Korlátozások hozzáadása" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Típus:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Hozzáadás" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Korlátozás lekérése" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Rendben" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinátor szerkesztő" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Alap:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Távolság mértékegysége:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angström" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formátum:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Formátum meghatározása. Minden karakter az atomonként " "írandó értéket jelzi:

# - " "Atomi tárgymutató (1, 2, …, atomok száma)
Z - Atomszám (pl. „6” a szén esetében)
G - GAMESS-stílusú atomszám (pl. „6.0” a " "szén esetében)
N - Elem neve " "(pl. „Szén”)
S - Elem szimbólum " "(pl. \"C\" a szén esetében)
L - " "Atomcímke (pl. „C2” a második szénatom, „H1” az első hidrogén)
x - X pozíció koordináta
y - Y pozíció koordináta
z - Z pozíció koordináta
a - a-hálókoordináta (csak kristályok)
b - b-hálókoordináta (csak " "kristályok)
c - c-" "hálókoordináta (csak kristályok)
_ - Szó szerinti szóköz („ ”), hasznos az igazításhoz
0 - Szó szerinti 0 („0”), hasznos az " "optimalizálási zászlókhoz
1 - " "Szó szerinti 1 („1”), hasznos az optimalizálási zászlókhoz

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Súgó…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Beillesztés" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Visszaállítás" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Törlés" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Alkalmaz" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K bemenet" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Mindent visszaállít" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Alapértelmezések" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Fájl mentése…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Alap beállítások" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Cím:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Fájlnév alap:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "Feladat" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kiszámítás:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Alapkészlet:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Függvényes" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax spline centrifuga" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD típus" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "IGAZ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF TALÁLGATÁSA" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "KÜLSŐ LEGNAGYOBB SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "KÜLSŐ EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMALIZÁLÓ" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Fájlkiterjesztés az „Open Babel” kémiai eszköztár átalakításához " "(alapértelmezett: Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Felsősejt paraméterei" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Felsősejt beállításai" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A ismétlése:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B ismétlése:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C ismétlése:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Sejtmátrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Törtmátrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "Atomok á&talakítása" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Alkalmazás" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Visszaállítás" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Elrejtés" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Egységi sejttérfogat méretaránya" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Új &térfogat:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Méretezési tényező:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Jelenlegi térfogat:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Szövegcímke" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Kötésrend:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometria optimalizálási paraméterek" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Összefolyatás ismérv" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energia összefolyattatása:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Lépéskorlát:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " egység" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " lépés" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradiens összefolyattatása:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimalizálási módszer" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Erőtér:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Automatikus felismerés" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS bevitel" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Ebben:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Többszörösség:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Ezzel:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Töltés:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR importálása…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Keresés" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "név" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "címke" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "rokon értelmű szó" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "képlet" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Keresés: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Képlet:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Letöltés" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Név:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Nukleinsavak beszúrása" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNS/RNS-készítő" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleinsavak:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sorozat:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "a bázispárok száma spirálfordulatonként" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Egyéb" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bázis spirálfordulatonként:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Szálak:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Egyszeres" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Kétszeres" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Aszparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aszparaginsav" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisztein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutaminsav" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Hisztidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Izoleucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofán" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Szerin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lizin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Sztereokémia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Egyenes lánc" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Láncszám:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Az új peptid lánc-száma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS bemenet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Bemeneti fájl megjegyzéseit" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Egységstílus kijelölése a szimuláció felhasználásakor." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

https://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Egységek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "valós" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "fém" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Vízpotenciál" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Az adatfájl által használt „atom_style” (atom_stílus) kijelölése." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

https://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atomstílus" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "szög" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "kötés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "töltés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipól" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipszoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "teljes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "vonal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekuláris" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "gömb" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "három" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "hullámcsomag" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Adja meg a koordinátafájlhoz használandó nevet." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordináta adatfájl" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Együttes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Hőmérséklet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Nosé-Hoover láncok száma kijelölése az NVT együttesben." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH-láncok" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "A szimuláció-időlépés egységekben az „Egységek” meghatározás szerint." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Időlépés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "A szimuláció során írandó XYZ-fájl fájlneve." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ biztonsági másolat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Méretek száma a rendszerben." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Méretek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z végpont stílusának módosítása." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y végpont stílusának módosítása." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X végpont stílusának módosítása." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Határstílusok az X, Y és Z irányok kijelölésében." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Végpont" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Megismétlési száma a X, Y és Z irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Megismétlés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Megismétlési száma az X irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Megismétlési száma az Y irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Megismétlési száma a Z irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "A szimulátor időlépéseinek száma." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Összes lépés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Memóriaképi időköz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Kezdeti atomsebességek beállítása a szimulációhoz." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Kezdeti sebességek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Válassza ki a kezdeti atomsebességek eloszlását." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gauss" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "egységes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Kezdeti atomsebességek beállítása ennek a hőmérsékletnek megfelelően." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "A rendszeri lineáris lendület eltávolítása a kezdeti sebességekről." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Nulla lineáris lendület" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "A rendszeri perdület eltávolítása a kezdeti sebességekről." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nulla perdület" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Szabályozza a termodinamikai kimenetet a szimuláció során." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Kimenet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Kimeneti időköz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Termodinamikai kimeneti stílus." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Egy sor" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Többsoros" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Űrlap használata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Létrehozás…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Leíró:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Fordító:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Forgatás a következő körül:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Eredet" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-tengely" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-tengely" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-tengely" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Alkalmazkodás keresése" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Módszer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Alkalmazkodások száma:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Rendszeres rotor keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Véletlen rotor keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Súlyozott rotor keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetikai algoritmus keresése" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimalizálás alkalmazkodásonként:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetikai algoritmus beállításai" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "gyermekek száma minden szülő geometria számára" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Gyermekek:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutációs gyakoriság (alacsonyabb = gyakrabban fordul elő)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Változékonyság:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "azonos nemzedékek száma a konvergencia eléréséig" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Konvergencia:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Pontozási módszer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "pontozási módszer a genetikai algoritmushoz (Gyök-közép-négyzet eltérés = " "geometriai távolság, energia = legalacsonyabb energiák)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimalizáló algoritmus:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Vonalkeresési módszer:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Legmeredekebb ereszkedés" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjugált gradiens" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Egyszerű" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton módszer" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Nem-kötés kölcsönhatások korlátozása" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals levágási távolság:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Páros frissítési gyakoriság:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "elektrosztatikus levágási távolság:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "„Energia” összefolyattatása:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM parancsfájlkészítő" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Feladat parancsfájl:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "parancsfájl" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Bemeneti koordináták:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Bemeneti topológia:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Erőtér:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Vízmodell:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit oldószer (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Rendszer:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referencia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "Processzor" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Pontosság:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "egyszeres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "vegyes" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "kétszeres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Eszköztárgymutató:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL-rendszer tárgymutató:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nem-kötési módszer:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Nincs levágás" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Nem időszakos levágás" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Időszakos levágás" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald tűréshatára:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Korlátozások:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H kötések" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Minden kötés" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Vízszintes szögek" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Megszorítási tűréshatár:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Merev víz?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Hamis" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nem-kötési levágás:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Véletlenszerű kezdeti sebesség:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Hőmérséklet létrehozása:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrátor:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VáltozóLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VáltozóVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Hibatűrés:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Ütközési arány:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Nyomás:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat-i időköz" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Jelentéstevők:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Állapotadatok" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB (Protein Data Bank - Fehérje adatbank)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Jelentési időköz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Kiegyensúlyozási lépések:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Gyártási lépések:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimalizálni?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Legnagyobb minimalizálási lépések:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData (ÁllapotAdatok) beállításai:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Lépési tárgymutató" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Idő" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Sebesség" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Állapot" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Helyzeti energia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Mozgási energia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Összes energia" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Pár eloszlásfüggvény ábrázolása beállításai" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Legnagyobb sugár:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Lépés (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Elméleti röntgendiffrakciós minta beállításai" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

A csúcs kiszélesítése az alapnál (fokban).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

A legnagyobb 2θ érték fokban.

Alapértelmezett: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

A csúcsok kiszélesedése a tövében fokban.

Alapértelmezett: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Pontok száma:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Csúcs szélessége:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Hullámhossz:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

A röntgen hullámhossza Angströmben.

Alapértelmezett: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

A létrehozandó 2θ pont száma.

Alapértelmezett: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Letöltés kijelölve" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Kritikus pont sugara:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Kötési út sugara:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalens kötések" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Állandó méret" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Szín alkalmazása" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spektrábrázolás" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Nagyítási tényező:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Legalacsonyabb X-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Legnagyobb X-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Eltolás:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Legnagyobb Y-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Legalacsonyabb Y-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Csúcs szélessége:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Csúcs küszöbérték:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Meg&jelenés" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Importált spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Betűméret:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Vonalszélesség:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Megjelenítés" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Kísérleti spektrumok CSV-fájl importálása, átfedés az ábrán." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Háttér:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Számított spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Adatok exportálása" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Bezárás" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Beállítások…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Vezérlők:\n" "Kattintson duplán a bal egérgombbal: Az alapértelmezett tengelykorlátok " "visszaállítása\n" "Jobb kattintás + húzás: Terület mozgatása\n" "Középső kattintás + húzás: Nagyítás a régióra\n" "Görgető: Nagyítás a kurzorra" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Nagyon alacsony" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Alacsony" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Közepes" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Magas" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Nagyon magas" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Felületek létrehozása" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Felület:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "ɑ" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "β" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Szín szerint:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Elektrosztatikus potenciál" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Felbontás:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Izofelületi érték:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Simítás:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Világos" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Erős" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Számítás" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Rajzfilmfájl felvétele…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Szimmetrikusan egyenérték atomok:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Szimmetria lezárása" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Műveletek" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Szimmetria elemek:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Alcsoportok" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Alcsoportok:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tűréshatár:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Szoros" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normál" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Laza" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Nagyon laza" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Szimmetria észlelése" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Középre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Hivatalos töltés:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordináció:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Nyolcoldalú" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Lineáris" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Lineáris" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonális sík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraéderes" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Négyzetes sík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonális bipiramis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Négyzetes piramis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonális prizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Ötszögletű bipiramis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Négyzetes antiprizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Egyesfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Kettesfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Hármasfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Negyésfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hatosfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptikus" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Vágólapról" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Csoportok" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Csoport:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amid" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "karboxilát" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "észter" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilén" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "etin" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "foszfát" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "szulfonát" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Rezgési módok" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitúdó:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "YAeHMOP sáv" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Legalacsonyabb y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

A négyzet bejelölése előtt ismernie kell a Fermi-" "szintet. A Fermi-szintet az állapotsűrűség számításának elvégzésével és az " "adatok megjelenítésével fedezheti fel (ez az adatok tetején lesz). " "Ezenkívül, ha az állapotok sűrűségének kiszámítását végzik, a Fermi-szint " "itt automatikusan arra lesz beállítva, amit az állapotok sűrűségének " "számítása során észleltünk.

Ha ez a jelölőnégyzet be van jelölve, " "győződjön meg arról, hogy a megfelelő Fermi-szint van beállítva a jobb " "oldali spinboxban.

Alapértelmezett: kikapcsolva

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Fermi ábrázolása?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Energiák beállítása úgy, hogy a Fermi-szint nullát? " "Csak akkor érhető el, ha a Fermi-szintet meg van ábrázolva.


Alapértelmezett: kikapcsolva

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nulla Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "A különleges k-pontokat összekötő k-pontok száma:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Különleges k-pontok" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Legnagyobb y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

A Fermi-szint

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Adja meg a különleges k-pontokat, mint ilyeneket:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

Amely " "<symbol> <x> <y> <z> ahol x, y és z töredékes " "kölcsönös térkoordináták. Ezeket a grafikonon lévő k-pontokat összekötő " "vonalakat húzunk a sorrendben. Kérjük, vegye figyelembe, hogy a sejt " "tájolása hatással lehet ezeknek a kölcsönös térközöknek a helyére.

Ha " "a kristály tércsoportját észleltük vagy beállítottuk, a különleges k-pontok " "önműködően feltöltődnek az adott tércsoport egyszerűsejt magas " "szimmetriapontjaival. Van néhány tércsoport, amelyek a rács függvényében " "különböző magas szimmetriapontokkal rendelkeznek (például ha a > b vagy a " "< b) – amelyet önműködően figyelembe vesz.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Adja meg a különleges k-pontokat összekötő k-pontok " "számát. Ezen k-pontok közül több simítja az ábrázolást, de a számítás tovább " "tarthat.

Alapértelmezett: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Korlátozza az ábrán az y-tartományt?

Alapértelmezett: kikapcsolva

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Korlátozza az y-tartomány?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Az időszakos dimenziók száma.


Ha ezt " "1-re van beállítva, akkor az anyag periodikus lesz csak a kristály A-vektora " "mentén.


Ha ezt 2-re van beállítva, akkor az anyag " "periodikus lesz a kristály A- és B-vektora mentén.


Ha ezt " "3-ra van beállítva, akkor az anyag periodikus lesz a kristály A-, B- és C-" "vektora mentén.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Méretek száma:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "YAeHMOP bemenet megjelenítése?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Óvári" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "E-mail-címek" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "A(z) „%1” beállítás nem hivatkozik objektumra." #, qt-format #~ msgid "Tab %1" #~ msgstr "Lap: %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "" #~ "Hiba történt: az értéknek objektumnak kell lennie a(z) „%1” kulcsnál." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Színes átlátszósági térkép szerkesztése…" #~ msgid "ColorOpacityMap" #~ msgstr "Színes átlátszósági térkép" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Színes átlátszósági térképek szerkesztése, elsősorban térfogat-" #~ "megjelenítés céljából." #~ msgid "Volume Rendering" #~ msgstr "Térfogat megjelenítése" #~ msgid "Cube" #~ msgstr "Kocka" #~ msgid "Enable volume rendering" #~ msgstr "Térfogati megjelenítés engedélyezése" #~ msgid "Enable surface rendering" #~ msgstr "Felületi megjelenítés engedélyezése" #~ msgid "Isovalue" #~ msgstr "Iso-érték" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Hiba történt az energiaparancsfájl metaadatainak lekérésekor: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Hiba történt az energiaparancsfájl metaadatainak elemzésekor: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Hiba történt az energiaparancsfájl metaadatainak elemzésekor: %1\n" #~ "Az eredmény nem JSON-objektum.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Nem sikerült betölteni a(z) %1 parancsfájlt" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "%1 parancsfájl keresése a(z) %2 elérési útban" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Szögek:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Mégsem" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " , " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(függőben)" #~ msgid "unknown molecule" #~ msgstr "ismeretlen molekula" #~ msgid " & " #~ msgstr " és " #~ msgid "Reference Axes Overlay" #~ msgstr "Referenciatengelyek átfedése" #~ msgid "Meshes" #~ msgstr "Hálók" #~ msgid "Plot RMSD curve…" #~ msgstr "Gyök-közép-négyzet eltérés függvény ábrázolása…" #~ msgid "PlotRmsd" #~ msgstr "Gyök-közép-négyzet eltérés függvény ábrázolása" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Gyök-közép-négyzet eltérés függvény létrehozása és ábrázolása." #, fuzzy, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom címkeeszköz\t(%1)\n" #~ "\n" #~ "Bal egérgomb:\tEgyedi címkék hozzáadásához kattintson az atomokra" #~ msgid "Max 2*theta:" #~ msgstr "Legnagyobb 2θ:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Táblázatok az atom-, kötés-, szög- és csavarodás tulajdonságok " #~ "megjelenítésére és szerkesztésére." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Molekulák igazítása\n" #~ "\n" #~ "Bal egér: \tVálasszon ki legfeljebb két atomot.\n" #~ "\tAz első atom középpontjában az origó található.\n" #~ "\tA második atom a kiválasztott tengelyhez igazodik.\n" #~ "Jobb egér: \tÁllítsa vissza az igazítást.\n" #~ "Dupla kattintás: \tAz atom középpontba állítása az origóban." #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Alapértelmezett: Lefelé görgetés a kicsinyítéséhez, felfelé görgetés a " #~ "nagyításához\n" #~ "Fordított: Felfelé görgetés a kicsinyítéséhez, lefelé görgetés a " #~ "nagyításához" #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Sokszög hálók megjelenítése." #~ msgid "&Analysis" #~ msgstr "&Elemzés" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importálás..." #~ msgid "Set Color..." #~ msgstr "Színbeállítás..." #~ msgid "&Export..." #~ msgstr "&Exportálás…" #~ msgid "&Load data..." #~ msgstr "&Adatok betöltése..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Részleges töltés" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Kötésközpontú-művelőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza a nézet elforgatásához.\n" #~ "Középső egérgomb:\tKattintson és húzza a nagyításhoz vagy " #~ "kicsinyítéshez.\n" #~ "Jobb egérgomb:\tKattintson és húzza a nézet mozgatásához.\n" #~ "Dupla kattintás:\tA nézet visszaállítása.\n" #~ "\n" #~ "Kattintson a bal egérgombbal, és húzza a kötvényt a műveletsík " #~ "beállításához.\n" #~ "Kattintson a bal egérgombbal, és húzza az egyik atomot a kötésben a szög " #~ "megváltoztatásához.\n" #~ "Kattintson a jobb egérgombbal, és húzza az egyik atomot a kötésben a " #~ "hossz megváltoztatásához." #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Rajzeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza az atomok és a kötés létrehozásához\n" #~ "Jobb egérgomb:\tAtom törlése" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom címkeeszköz\n" #~ "\n" #~ "Bal egérgomb:\tEgyedi címkék hozzáadásához kattintson az atomokra" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Méretezőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tJelölés ki legfeljebb négy atomot.\n" #~ "\tA távolságokat 1-2 és 2-3 között mérik\n" #~ "\tA szöget 1-3 között mérik, 2-vel közös pontként\n" #~ "\tA diéderest 1-2-3-4 között mérik\n" #~ "Jobb egérgomb:\tÁllítsa vissza a méréseket." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigációs eszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza a nézet elforgatásához.\n" #~ "Középső egérgomb:\tKattintson és húzza a nagyításhoz vagy " #~ "kicsinyítéshez.\n" #~ "Jobb egérgomb:\tKattintson és húzza a nézet mozgatásához.\n" #~ msgid "Animation Tool" #~ msgstr "Animációs eszköz" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Kijelölőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson ide az egyes atomok, maradékok vagy töredékek " #~ "kijelöléséhez\n" #~ "\tHasználja a Ctrl billentyűt a kijelölés váltásához, és a Shift gombot a " #~ "kijelöléséhez való hozzáadáshoz.\n" #~ "\tHúzással jelöl ki az atomok tartományát\n" #~ "Jobb egérgomb:\tKattintson a molekulán kívülre a kijelölés törléséhez\n" #~ "Dupla kattintás:\tJelöl ki egy teljes töredéket." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Sablon eszköz\n" #~ "\n" #~ "Helyezze be a töredékeket, beleértve a fém középpontokat is.\n" #~ "Elem és koordinációs geometria kijelölése, majd kattintson a töredék " #~ "beillesztéséhez.\n" #~ "\n" #~ "Ligandum vagy funkciós csoport kijelölése, és kattintson a hidrogénatomra " #~ "a csatoláshoz." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Művelőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza az atomok mozgatásához.\n" #~ "Jobb egérgomb:\tKattintson és húzza a kijelölt atomok elforgatásához.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "" #~ "Van der Waals gömbök egyszerű megjelenítése környezeti elzáródással." #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Egységsejt hozzáadása" #~ msgid "By Atomic Index" #~ msgstr "Atomi index szerint" #~ msgid "By Distance" #~ msgstr "Távolság szerint" #~ msgid "Select Water…" #~ msgstr "Víz kijelölése…" #~ msgid "&Copy" #~ msgstr "&Másolás" #~ msgid "Molecule Name:" #~ msgstr "Molekulanév:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulatömeg (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kémiai képlet:" #~ msgid "Number of Atoms:" #~ msgstr "Atomok száma:" #~ msgid "Number of Bonds:" #~ msgstr "Kötések száma:" #~ msgid "TODO" #~ msgstr "Tennivalók" #~ msgid "Line Size:" #~ msgstr "Vonalméret:" #~ msgid "In." #~ msgstr "Ebben." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&Sz." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS bemeneti fájlok (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Python értelmező kijelölésa a bemeneti létrehozó parancsfájlok " #~ "futtatásához.\n" #~ "Kérjük, indítsa újra az Avogadro alkalmazást, hogy a módosítások érvénybe " #~ "lépjenek." #~ msgid "Set Python Path…" #~ msgstr "Python elérési útja beállítása…" #~ msgid "Fragment…" #~ msgstr "Töredék…" #~ msgid "Functional Groups" #~ msgstr "Függvényes csoportok" #~ msgid "Help..." #~ msgstr "Súgó…" #~ msgid "Submit Calculation..." #~ msgstr "Számítás elküldése…" #~ msgid "Save File..." #~ msgstr "Fájl mentése…" #~ msgid "Download Plugins..." #~ msgstr "Beépülő modulok letöltése…" #~ msgid "Record Movie..." #~ msgstr "Rajzfilmfájl felvétele…" #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "A fájlnév érvénytelen karaktereket tartalmaz. Kérjük, válasszon másik " #~ "fájlnevet." #~ msgid "Other..." #~ msgstr "Egyéb..." #~ msgid "Client server operations." #~ msgstr "Ügyfél/kiszolgáló műveletek." #~ msgid "S&erver" #~ msgstr "&Kiszolgáló" #~ msgid "Connection failed" #~ msgstr "A kapcsolódás sikertelen" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "A(z) %2 kapcsolat:%3 nem sikerült:kapcsolódás elutasítva." #~ msgid "Remote service error" #~ msgstr "Távoli szolgáltatás hiba" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "A kapcsolat nem sikerült a következővel: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "ügyfélKiszolgáló/%1:%2/utoljáraMegnyitottKönyvtár" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Ügyfél/kiszolgáló" #~ msgid "Connection refused" #~ msgstr "Kapcsolódás elutasítva" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "%2 kapcsolat:%3 sikerült!" #~ msgid "Filename" #~ msgstr "Fájlnév" #~ msgid "Formula" #~ msgstr "Képlet" #~ msgid "InChIKey" #~ msgstr "InChI kulcs" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "MongoChem kiszolgáló" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Felület a MongoChem kiszolgálóval." #~ msgid "YAeHMOP Band Structure" #~ msgstr "YAeHMOP-sávszerkezet" #~ msgid "Server settings" #~ msgstr "Kiszolgáló beállításai" #~ msgid "&Hostname:" #~ msgstr "Állomás&név:" #~ msgid "Port" #~ msgstr "Kikötő" #~ msgid "Test C&onnection..." #~ msgstr "&Kapcsolat ellenőrzése…" #~ msgid "Look in:" #~ msgstr "Keresés helye:" #~ msgid "Navigate Back" #~ msgstr "Lépés vissza" #~ msgid "Navigate Forward" #~ msgstr "Navigálás előre" #~ msgid "Navigate Up" #~ msgstr "Navigálás felfelé" #~ msgid "File name:" #~ msgstr "Fájlnév:" #~ msgid "Files of type:" #~ msgstr "Fájlok típusa:" #~ msgid "MongoChem Config" #~ msgstr "MongoChem beállítása" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API-kulcs:" #~ msgid "Base URL:" #~ msgstr "Alap URL-cím:" #~ msgid "Config" #~ msgstr "Beállítás" #~ msgid "Upload" #~ msgstr "Feltöltés" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Egyedülállóság" #~ msgid "Container:" #~ msgstr "Tároló:" #~ msgid "Image:" #~ msgstr "Kép:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"theory\": \"dft\",

\n" #~ "

\"functional\": \"b3lyp\",

\n" #~ "

\"basis\": \"6-31g\",

\n" #~ "

\"task\": \"energy\"

\n" #~ "

}

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"elmélet\": \"dft\",

\n" #~ "

\"függvényes\": \"b3lyp\",

\n" #~ "

\"bázis\": \"6-31g\",

\n" #~ "

\"feladat\": \"energia\"

\n" #~ "

}

" #~ msgid "Input Parameters:" #~ msgstr "Bemenet paraméterei:" #~ msgid "Element & Ordinal" #~ msgstr "Elemnév és elemszáma" #~ msgid "'c' coordinate." #~ msgstr "c-hálókoordináta." #~ msgid "Error: could not find yaehmop executable!" #~ msgstr "" #~ "Hiba történt: nem található a YAeHMOP (Yet Another extended Huckel " #~ "Molecular Orbital Package – Még egy kiterjesztett Huckel molekuláris " #~ "orbitális csomag) végrehajtható fájlt!" #, qt-format #~ msgid "Error: %1 crashed!" #~ msgstr "Hiba történt: %1 összeomlott!" #, qt-format #~ msgid "Error: %1 finished abnormally with exit code %2" #~ msgstr "" #~ "Hiba történt: „%1” rendellenesen befejeződött a(z) „%2” kilépési kóddal" #~ msgid "octahedral" #~ msgstr "nyolcoldalú" #~ msgid "Layer" #~ msgstr "Réteg" #~ msgid "Insert Molecule..." #~ msgstr "Molekula beszúrása…" #~ msgid "Generating 3D molecule..." #~ msgstr "3D molekula létrehozása…" #~ msgid "Z Å)" #~ msgstr "Z (Å)" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: A fájl létezik és nem írható." #~ msgid "Simple display of Cartoons family." #~ msgstr "Rajzfilmi család egyszerű megjelenítése." #~ msgid "Error interpreting obabel CML output." #~ msgstr "" #~ "Hiba történt az obabel-CML (kémiai jelölési nyelv) kimenet értelmezésekor." #~ msgid "Error generating CML data." #~ msgstr "Hiba törtent a (kémiai jelölési nyelv) CML-adatok létrehozásakor." #~ msgid "Run APBS..." #~ msgstr "APBS futtatása…" #~ msgid "Open Output File..." #~ msgstr "Kimeneti fájl megnyitása…" #~ msgid "Edit Unit Cell..." #~ msgstr "Egységsejt szerkesztése…" #~ msgid "&GAMESS..." #~ msgstr "" #~ "&GAMESS (Általános atomi és molekuláris elektronikus szerkezetrendszer)…" #~ msgid "&Import From PQR" #~ msgstr "PQR &importálása" #~ msgid "Crystal..." #~ msgstr "Kristály…" #~ msgid "Write" #~ msgstr "Mentés" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "InChI..." #~ msgstr "InChI…" #~ msgid "Add Hydrogens for pH..." #~ msgstr "Hidrogénatomok hozzáadása a pH szint értékhez…" #~ msgid "Atom Properties..." #~ msgstr "Atom tulajdonságai..." #~ msgid "Bond Properties..." #~ msgstr "Kötés tulajdonságai…" #~ msgid "Angle Properties..." #~ msgstr "Szög tulajdonságai..." #~ msgid "Torsion Properties..." #~ msgstr "Csavarodás tulajdonságai…" #~ msgid "Residue Properties..." #~ msgstr "Maradék tulajdonságai…" #~ msgid "Create Surfaces..." #~ msgstr "Felületek létrehozása..." #~ msgid "Symmetry..." #~ msgstr "Szimmetria…" #~ msgid "&Exit" #~ msgstr "&Kilépés" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "Töredék beillesztése…" #~ msgid "Theory:" #~ msgstr "Elmélet:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Távolság (3->4): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Forgatható" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Konformer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Szög %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torzió %1" #, fuzzy #~ msgid "Torsion" #~ msgstr "Torzió %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Igen" #~ msgid "No" #~ msgstr "Nem" #, fuzzy #~ msgid "Import" #~ msgstr "Importálás" #~ msgid "Insert SMILES" #~ msgstr "SMILES beillesztése" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES-töredék beillesztése" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Molekulatöredék beillesztése" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Molekulatöredék beillesztése nagyobb molekulák létrehozásához." #~ msgid "E&xtensions" #~ msgstr "K&iterjesztések" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&geometria optimalizáció" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometria optimalizálása" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Hidrogének hozzáadása" #, fuzzy #~ msgid "Stopped" #~ msgstr "Leállítás" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Felületek" #~ msgid "Color by Index" #~ msgstr "Szín index szerint" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Szín index szerint (piros, narancssárga, citromsárga, zöld, kék, lila)" #~ msgid "Color by Partial Charge" #~ msgstr "Szín parciális töltés szerint" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Szín atomi paricális töltés szerint (kék = pozitív, piros = negatív)" #~ msgid "Custom Color:" #~ msgstr "Egyedi szín:" #~ msgid "Set custom colors for objects" #~ msgstr "Saját színek beállítása objektumokra" #~ msgid "Color by Distance" #~ msgstr "Szín távolság szerint" #~ msgid "Color by distance from the first atom." #~ msgstr "Szín távolság szerint az első atomtól" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Színek elemek szerint (szén = zöld, oxigén = piros, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Szín molekularész szerint (aminosav-típus, hidrofobicitás, ..." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Név" #~ msgid "Axes" #~ msgstr "Tengelyek" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Primitívek renderelése gömböt (atom) és pálcát (kötés) használva" #~ msgid "Hydrogen Bond" #~ msgstr "Hidrogén kötés" #~ msgid "Renders hydrogen bonds" #~ msgstr "Hidrogén kötések rajzolása" #~ msgid "Polygon" #~ msgstr "Sokszög" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Atom tetrahedron, oktahedron és más poligonok rajzolása" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "A fehérjevázat szalagként jelenítse meg." #~ msgid "Ring" #~ msgstr "Gyűrű" #~ msgid "Renders rings with colored planes" #~ msgstr "A gyűrűket színes síkoknak mutatja" #~ msgid "Simple Wireframe" #~ msgstr "Egyszerű drótváz" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "a kötéseket drótként (vonalként) mutatja, ideális nagy molekulák esetén" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals szférák" #~ msgid "Stick" #~ msgstr "Pálca" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektron sűrűség, isosurface=%L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "A kötéseket pálcikáknak mutatja, ez ideális nagyon nagy (bio)molekulák " #~ "esetén" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi fájl kiterjesztés hozzáadása" #~ msgid "Animation..." #~ msgstr "Animáció" #~ msgid "Cannot read file format of file %1." #~ msgstr "Nem olvasható a fájlformátum a %1 fájlban" #~ msgid "Read trajectory file %1 failed." #~ msgstr "%1 trajektória fájl beolvasása nem sikerült" #~ msgid "Must specify a valid .avi file name" #~ msgstr "Határozza meg az .avi fájl pontos nevét" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL widget nincs megfelelően inicializálva ezért a video mentése nem " #~ "lehetséges." #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Érvénytelen video fájl név. Tartalmaznia kell az teljes elérési utat." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Érvénytelen video fájl név. Tartalmaznia kell az teljes elérési utat, " #~ "valamint a fájlnévnek .avi-ra kell végződnie." #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animált trajektóriák, reakciók és vibrációk." #~ msgid "Cartesian Editor..." #~ msgstr "Descartes-i szerkesztő" #~ msgid "Number of atoms: %1" #~ msgstr "Atomok száma: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Az elforduló kötések száma: %1" #~ msgid "Add constraint" #~ msgstr "Megszorítások hozzáadása" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "A molekulának muszáj tartalmaznia legalább egy atomot hogy " #~ "megszorításokat hozzá lehessen adni." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "A molekulának muszáj tartalmaznia legalább két hogy kötés megszorításokat " #~ "hozzá lehessen adni." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "A molekulának muszáj tartalmaznia legalább három atomot hogy szög " #~ "megszorításokat hozzá lehessen adni." #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "A molekulának legalább négy atomot kell tartalmaznia hogy térszög " #~ "megszorítást lehessen hozzáadni." #~ msgid "Trajectory..." #~ msgstr "Trajektória..." #~ msgid "Open chemical file format" #~ msgstr "Kémiai fájl formátum megnyitása" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Kémiai fájlok (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Kémiai fájlok (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Trajektória importálása" #~ msgid "Import trajectory files" #~ msgstr "Trajektória fájl importálása" #~ msgid "Calculate Energy" #~ msgstr "Energia kalkuláció" #~ msgid "Conformer Search..." #~ msgstr "Konformerek keresése..." #~ msgid "Constraints..." #~ msgstr "Megszorítások..." #~ msgid "Systematic Rotor Search" #~ msgstr "Szisztematikus forgópont-keresés" #~ msgid "Random Rotor Search" #~ msgstr "Véletlenszerű forgópont-keresés" #~ msgid "Weighted Rotor Search" #~ msgstr "Súlyozott forgópont-keresés" #~ msgid "ForceField" #~ msgstr "erőtér" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Molekulageometria optimalizálása és konformerek létrehozása a molekuláris " #~ "mechanikai erőterek használatával." #~ msgid "Change H to Methyl" #~ msgstr "H cseréje Metil csoportra" #~ msgid "H to Methyl" #~ msgstr "H metilcsoportra" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrogéneket metil csoportokra transzformál" #~ msgid "Add or remove hydrogens" #~ msgstr "Hidrogének hozzáadása vagy eltávolítása" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Oligopeptid-szekvencia beillesztése" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Becsült dipólusmomentum (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Standard molekulatulajdonságok megjelenítése" #~ msgid "Fetch from URL..." #~ msgstr "Betöltés URL-ről..." #~ msgid "PDB Entry" #~ msgstr "PDB bejegyzés" #~ msgid "PDB entry to download." #~ msgstr "Letöltendő PDB bejegyzés" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "Letöltendő molekula URL-je." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "A megadott molekulát nem lehet betölteni: %1" #~ msgid "Network Fetch" #~ msgstr "Hálózati letöltés" #~ msgid "Fetch molecule files over the network." #~ msgstr "Molekulafájlok letöltése a hálózatról." #~ msgid "Show Preview" #~ msgstr "Előnézet megjelenítése" #~ msgid "Hide Preview" #~ msgstr "A gyorsnézet elrejtése" #~ msgid "Save POV-Ray rendered image" #~ msgstr "POV-Ray által létrehozott kép tárolása" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Képfájlok (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nincs megadva érvényes fájlnév." #~ msgid "Does not compute." #~ msgstr "Számítás nem fut." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "Nem tud írni %1 fájlba. Van írási engedélyed erre a helyre?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray nem indult el." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "A POV-Ray nem indult el. Lehetséges hogy nem lett megfelelően megadva az " #~ "útvonal a futtatható fájlhoz." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "POV-Ray fájlok létrehozása és megjelenítése a parancssori POV-Ray " #~ "programmal" #~ msgid "Conformer Properties..." #~ msgstr "Konformer tulajdonságai..." #~ msgid "Python Terminal" #~ msgstr "Python terminál" #~ msgid "pythonTerminalDock" #~ msgstr "Python terminál ablak" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktív Python parancsnyelvi terminál" #~ msgid "QM Matches" #~ msgstr "QM-egyezések" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP kiválasztás..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM választás..." #~ msgid "You must make a selection!" #~ msgstr "Csinálnod kell egy kiválasztást!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES konverzió nem elérhető" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES formátum konverzió nem választható!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Kimeneti fájl generálása GAMESS kvantum kémiai csomaghoz" #~ msgid "Advanced Settings Changed" #~ msgstr "A speciális beállítások megváltoztak" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "A speciális beállítások megváltoztak.\n" #~ "Biztos ne mentsük?" #~ msgid "Advanced Settings Reset" #~ msgstr "Speciális beállítások visszaállítása" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Biztos, hogy visszaállítod a speciális beállításokat?\n" #~ "Minden változtatás el fog veszni!" #~ msgid "Basic Settings Reset" #~ msgstr "Alapbeállítások visszaállítása az eredeti értékre." #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Biztos vagy benne hogy visszaállítod az alapértelmezett beállításokra az " #~ "alapbeállításokat?\n" #~ "Minden beállításod elveszik." #~ msgid "Gaussian Running." #~ msgstr "Gaussian fut." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian fut. Várjon amíg az előző kalkuláció befejeződik." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian nincs installálva." #~ msgid "The G03 executable, cannot be found." #~ msgstr "A G03 futtatható nem található." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 nem indult el, talán nincs installálva megfelelően." #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian kalkuláci fut." #~ msgid "G03 Crashed." #~ msgstr "A G03 összeomlott." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian nem fut megfelelően, talán nincs installálva megfelelően." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "Copy text \t &NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC-bevitel figyelmeztetés" #~ msgid "MOPAC Running." #~ msgstr "A MOPAC fut" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "A MOPAC már fut. Várd meg amíg az előző számítás befejeződik." #~ msgid "MOPAC Not Installed." #~ msgstr "A MOPAC nincs telepítve." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "A MOPAC futtatható fájlt nem találom." #~ msgid "MOPAC failed to start." #~ msgstr "A MOPAC indítása nem sikerült." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "A MOPAC nem indult el. Lehet hogy nincs megfelelően telepítve." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC-számítás indítása..." #~ msgid "MOPAC Crashed." #~ msgstr "A MOPAC összeomlott." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "A MOPAC nem fut megfelelő módon. Lehet hogy nincs jól telepítve." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem beviteli panel generátor figyelmeztetés" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem beviteli panel generátor figyelmeztetés" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS kijelölés..." #~ msgid "Add Named Selection..." #~ msgstr "Megnevezett kijelölés hozzáadása..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS kijelölés" #~ msgid "SMARTS pattern to select" #~ msgstr "Kijelölendő SMARTS-minta" #~ msgid "There is no current selection." #~ msgstr "Jelenleg nincs kijelölés." #~ msgid "Add Named Selection" #~ msgstr "Megnevezett kijelölés hozzáadása" #~ msgid "Name cannot be empty." #~ msgstr "A név nem lehet üres." #~ msgid "There is already a selection with this name." #~ msgstr "Van már kijelölés ezzel a névvel." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Atomok, kötések, molekularészek kijelölése..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL árnyékolók..." #~ msgid "Open a vertex shader source file" #~ msgstr "Csúcs árnyékoló forrásfájl megnyitása" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Csúcs árnyékoló fájlok (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Molekularész árnyékoló forrásfájl megnyitása" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Molekularész árnyékoló fájlok (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Árnyékoló paraméterfájl megnyitása" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Árnyékoló paraméterfájlok (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL árnyékolók" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "OpenGL 2.0 GLSL árnyékolók betöltése és használata" #~ msgid "Transmittance (%)" #~ msgstr "Transzmittancia (%)" #~ msgid "Absorbance (%)" #~ msgstr "Abszorbancia (%)" #~ msgid "No intensities" #~ msgstr "Nincs intenzitás" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "A feltöltött molekula rezgési adatai nem tartalmaznak intenzitás " #~ "értékeket. Az intenzitásokat tetszőleges értékekre állítottam a " #~ "vizualizáció miatt." #~ msgid "X Axis" #~ msgstr "X tengely" #~ msgid "Y Axis" #~ msgstr "Y tengely" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infravörös spektumok beállítása" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR spektumok beállítása" #~ msgid "No data" #~ msgstr "Nincs adat" #~ msgid "Dark" #~ msgstr "Sötét" #~ msgid "Publication" #~ msgstr "Publikálás" #~ msgid "Handdrawn" #~ msgstr "Kézzel rajzolt" #~ msgid "New Scheme" #~ msgstr "Új séma" #~ msgid "Confirm Scheme Removal" #~ msgstr "Séma eltávolításának megerősítése" #~ msgid "Really remove current scheme?" #~ msgstr "Tényleg eltávolítod a jelenlegi sémát?" #~ msgid "Change Scheme Name" #~ msgstr "Séma nevének megváltoztatása" #~ msgid "Enter new name for current scheme:" #~ msgstr "Adj meg egy új nevet a jelenlegi sémának." #~ msgid "Export Calculated Spectrum" #~ msgstr "Számított spektrum exportálása" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tabulátorral elválasztott értékek (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tabulátorral elválasztott értékek" #~ msgid "Comma Separated Values" #~ msgstr "Vesszővel elválasztott értékek (CSV)" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Ismeretlen kiterjesztés: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR adatok (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR adatok (control)" #~ msgid "Data Format" #~ msgstr "Adatformátum" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formátum:" #~ msgid "Load Spectral Data" #~ msgstr "Spektrumadatok betöltése" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF (Tagged Image File Format)" #~ msgid "Windows Bitmap" #~ msgstr "Windows bittérkép" #~ msgid "Portable Pixmap" #~ msgstr "hordozható pixeltérkép" #~ msgid "X11 Bitmap" #~ msgstr "X11 bittérkép" #~ msgid "X11 Pixmap" #~ msgstr "X11 pixeltérkép" #~ msgid "Save Spectra Image" #~ msgstr "Spektrumkép mentése" #~ msgid "&Advanced <<" #~ msgstr "&Haladó <<" #~ msgid "&Spectra..." #~ msgstr "&Spektrumok..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Kvantumkémiai számításokból származó spektrumadatok megjelenítése" #~ msgid "No vibrational displacements exist." #~ msgstr "Nincs vibrációs eltolódás" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Vibrációs módok vizualizációja kvantumkémiai számításokból" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "%1 rezgések rendezése frekvencia szerint..." #~ msgid "Super Cell Builder..." #~ msgstr "Szupercella építő..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "A dokumentum jelenleg egy izolált molekulát tartalmaz. Létre kell hozni " #~ "egy egységcellát." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Krisztallográfiai szupercella építése és megjelenítése" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Semmi" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronsűrűség" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Hiba - nem definiált típus" #~ msgid "Calculating VdW Cube" #~ msgstr "VdW kocka számítása folyamatban" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "MO %L1 számítása folyamatban" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "A GL widget nem megfelelően indult a video készítéséhez" #~ msgid "GL widget has no molecule" #~ msgstr "A GL widgetben nincs molekula" #~ msgid "Building video " #~ msgstr "Video létrehozása " #~ msgid "Could not run mencoder." #~ msgstr "Nem sikerült futtatni a mencoder-t." #~ msgid "Set Aspect Ratio" #~ msgstr "Oldalarányok beállítása" #~ msgid "Debug Information" #~ msgstr "Hibakeresési információk" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Méret megjelenítése: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomok: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: %1 index nem elérhető." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "'%1' fájltípus olvasása nem támogatott." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "'%1' fájltípus olvasása nem támogatott." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "%1 indexű molekula beolvasása '%2' fájlból nem sikerült." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Molekula csere: %1 index nem elérhető" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "'%1' fájltípus írása nem támogatott." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "'%1' fájl típusának írása nem támogatott." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Nem sikerült megnyitni '%1' fájlt olvasáshoz." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "%1 indexű molekula cseréje '%2' fájlban nem sikerült." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "%1 fájlt nem sikerült olvasásra megnyitni" #~ msgid "File %1 can not be opened for writing." #~ msgstr "Nem lehet megnyitni %1 fájlt íráshoz." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Molekulafájl mentése sikertelen - nem lehet átnevezni az eredeti fájlt." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Molekulafájl mentése sikertelen - nem lehet átnevezni az új fájlt." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Molekulafájl mentése sikertelen - nem lehet törölni az eredeti fájlt." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Molekula írása '%1' fájlba nem sikerült. OpenBabel függvény nem működik" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Nem sikerült megnyitni %1 fájlt olvasáshoz." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Nem sikerült a konformereket '%1' fájlba menteni." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Ismeretlen Python motor" #~ msgid "PythonEngine: checking " #~ msgstr "Python motor: ellenőrzés " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - parancsfájlban nincs meghatásűrozva 'Engine' osztály" #~ msgid " - no module" #~ msgstr " - nincs modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ismeretlen Python bővítmény" #~ msgid "PythonExtension: checking " #~ msgstr "Python bővítmény ellenőrzése " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - parancsfájlban nincs definiálva 'bővítmény' osztály" #~ msgid "Unknown Python Tool" #~ msgstr "Ismeretlne Python eszköz" #~ msgid "PythonTool: checking " #~ msgstr "Python eszköz: ellenőrzés " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - parancsfájlban nincs definiálva 'eszköz' osztály" #~ msgid "Tools" #~ msgstr "Eszközök" #~ msgid "Align:" #~ msgstr "Igazítás:" #~ msgid "Everything" #~ msgstr "Minden" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Nem sikerült beállítani erőteret..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Frissítésenkénti lépések:" #~ msgid "Algorithm:" #~ msgstr "Algoritmus:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Mulekuladinamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Mulekuladinamika (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fix atomok mozgathatók" #~ msgid "Ignored atoms are movable" #~ msgstr "Kihagyott atomok mozgathatók" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt molekula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Molekulageometria Automatikus optimalizálása" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimalizálás beállításai" #~ msgid "Auto Rotation Tool" #~ msgstr "Automatikus forgatás eszköz" #~ msgid "x rotation:" #~ msgstr "x forgatás:" #~ msgid "x rotation" #~ msgstr "x forgatás" #~ msgid "y rotation:" #~ msgstr "y forgatás:" #~ msgid "y rotation" #~ msgstr "y forgatás" #~ msgid "z rotation:" #~ msgstr "z forgatás:" #~ msgid "z rotation" #~ msgstr "z forgatás" #~ msgid "Automatic rotation of molecules" #~ msgstr "Molekulák automatikus forgatása" #~ msgid "AutoRotate Settings" #~ msgstr "AutoForgatás beállításai" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Kötéshossz: %L1" #~ msgid " Show Angles" #~ msgstr " Szögek megjelenítése" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Diéderes szög: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Távolság:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Kötéshosszak, szögek, és diéderek mérése" #~ msgid "Draw Bond" #~ msgstr "Kötés rajzolása" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Atomok és kötések rajzolása és szerkesztése" #~ msgid "Selection Mode:" #~ msgstr "Kijelölés módja" #~ msgid "Atom/Bond" #~ msgstr "Atom/Kötés" #~ msgid "Residue" #~ msgstr "Molekularész" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Atomol, molekularészek és molekulák kijelölése" #~ msgid "Symbol" #~ msgstr "Szimbólum" #~ msgid "Bond Length" #~ msgstr "Kötéshossz" #~ msgid "Dihedral Angle" #~ msgstr "Diéderes szög" #~ msgid "Z Matrix Editor..." #~ msgstr "Z-mátrix szerkesztő..." #~ msgid "Z-Matrix" #~ msgstr "Z-mátrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Z-mátrix létrehozása/szerkesztése" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-mátrix beállításai" #~ msgid "Color residues by:" #~ msgstr "Molekularészek színezése:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicitás" #~ msgid "Atom Radius:" #~ msgstr "Atomsugár:" #~ msgid "Bond Radius:" #~ msgstr "Kötés sugara:" #~ msgid "Shape" #~ msgstr "Alak" #~ msgid "a" #~ msgstr "a" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Hurok" #~ msgid "Dipole:" #~ msgstr "Dipólus" #~ msgid "Width:" #~ msgstr "Szélesség" #~ msgid "Cut-off radius:" #~ msgstr "Levágási sugár" #~ msgid "Cut-off angle:" #~ msgstr "Levágási szög:" #~ msgid "Symbol & Atom number" #~ msgstr "Szimbólum és atomszám" #~ msgid "Partial charge" #~ msgstr "Parciális töltés" #~ msgid "Residue number" #~ msgstr "Molekularész szám" #~ msgid "Custom data" #~ msgstr "Egyéni adatok" #~ msgid "Bond length" #~ msgstr "Kötéshossz" #~ msgid "Bond number" #~ msgstr "Kötésszám" #~ msgid "Bond order" #~ msgstr "Kötésrend:" #~ msgid "Radius:" #~ msgstr "Sugár:" #~ msgid "Include Nitrogens" #~ msgstr "Nitrogének használata" #~ msgid "VdW Opacity:" #~ msgstr "VdW opacitás:" #~ msgid "Orbital:" #~ msgstr "Pálya:" #~ msgid "Render:" #~ msgstr "Képalkotás:" #~ msgid "Fill" #~ msgstr "Kitöltés" #~ msgid "Points" #~ msgstr "Pontok" #~ msgid "Draw Box:" #~ msgstr "Rajzoló doboz" #~ msgid "Positive" #~ msgstr "Pozitív" #~ msgid "Negative" #~ msgstr "Negatív" #~ msgid "Show Atoms" #~ msgstr "Atomok megjelenítése" #~ msgid "Animate Trajectory" #~ msgstr "Röppálya animálása" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Ciklus" #~ msgid "Save as .avi..." #~ msgstr "Mentési formátum: .avi..." #~ msgid "Paste to the End" #~ msgstr "Beillesztés a végére" #~ msgid "Number of atoms:" #~ msgstr "Atomok száma:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Forgó kötések száma" #~ msgid "Ignore Atom" #~ msgstr "Atom elrejtése" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torziós szög" #~ msgid "Save" #~ msgstr "Mentés" #~ msgid "Load" #~ msgstr "Betöltés" #~ msgid "Cartesian" #~ msgstr "Descartes-féle" #~ msgid "All" #~ msgstr "Mind" #~ msgid "File Import..." #~ msgstr "Fájl importálása..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Próbáljak kötést érzékelni?" #~ msgid "Setup Force Field" #~ msgstr "Erőtér beállítása" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Lépések száma" #~ msgid "Algorithm" #~ msgstr "Algoritmus" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa hélix" #~ msgid "Beta Sheet" #~ msgstr "Béta redő" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Molekularészek száma:" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipólusmomentum (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Haladó" #~ msgid "Control" #~ msgstr "Kontroll" #~ msgid "Grid" #~ msgstr "Rács" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Exportálás" #~ msgid "Select..." #~ msgstr "Kijelölés…" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Háttérszín áttetszőre állítása" #~ msgid "Alpha transparency" #~ msgstr "Alpha-áttetszőség" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Molekula megjelenítése közvetlenül a parancssori POV-Ray használatával" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "POV-Ray forrás megtartása megjelenítés befejezése után" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "POV-Ray forrás megtartása megjelenítés után" #~ msgid "Path:" #~ msgstr "Útvonal:" #~ msgid "Compute..." #~ msgstr "Számítás..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EFP Matches" #~ msgstr "EFP egyezések" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Haladó beállítások" #~ msgid "Hessian" #~ msgstr "Hess-i" #~ msgid "Stat Point" #~ msgstr "Stat pont" #~ msgid "System" #~ msgstr "Rendszer" #~ msgid "MO Guess" #~ msgstr "MO becslés" #~ msgid "Misc" #~ msgstr "Egyéb" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D nehézatom polarizációs függvény:" #~ msgid "Read" #~ msgstr "Olvasás" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Dupla zéta vegyérték" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Tripla zéta vegyérték" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA vegyérték" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt vegyérték" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP típus:" #~ msgid "Default" #~ msgstr "Alapbeállítás" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F nehézatom polarizációs függvény" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#könnyű atom polarizációs függvény" #~ msgid "Polar:" #~ msgstr "Poláris:" #~ msgid "Max SCF Iterations:" #~ msgstr "maximális SCF iterációk:" #~ msgid "Gradient" #~ msgstr "Grádiens" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Nyeregpont" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Spin Orbit" #~ msgstr "Spin orbitál" #~ msgid "Finite Electric Field" #~ msgstr "Véges elektromos mező" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globális optimalizálás" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO optimalizálás" #~ msgid "Raman Intensities" #~ msgstr "Raman intenzitás" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nincs (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF típus:" #~ msgid "Localization Method:" #~ msgstr "Lokalizációs módszer" #~ msgid "Exec Type:" #~ msgstr "Exec típus:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. determináns" #~ msgid "CI Singles" #~ msgstr "CI egyszeres" #~ msgid "Full Second Order CI" #~ msgstr "Teljes másodrendű CI" #~ msgid "General CI" #~ msgstr "Általános CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearizált CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC duplákkal" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC szimplákkal és duplákkal" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normális futtatás" #~ msgid "Check" #~ msgstr "Ellenőrzés" #~ msgid "Debug" #~ msgstr "Hibakeresés" #~ msgid "Run Type:" #~ msgstr "Futtatás típusa" #~ msgid "Use MP2" #~ msgstr "MP2 használata" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Z-Matrix változók száma" #~ msgid "Order of Principal Axis:" #~ msgstr "Főtengely rendje" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Egyedi Descartes-koordináták" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internálok" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Szimmetria használata számítás során" #~ msgid "Point Group:" #~ msgstr "Pont csoport" #~ msgid "Minutes" #~ msgstr "Perc" #~ msgid "Hours" #~ msgstr "Óra" #~ msgid "Days" #~ msgstr "Nap" #~ msgid "Weeks" #~ msgstr "Hét" #~ msgid "Years" #~ msgstr "Év" #~ msgid "Millenia" #~ msgstr "Évezred" #~ msgid "MegaWords" #~ msgstr "MegaWord" #~ msgid "MegaBytes" #~ msgstr "MegaBájt" #~ msgid "GigaWords" #~ msgstr "GigaWord" #~ msgid "GigaBytes" #~ msgstr "GigaBájt" #~ msgid "Force Parallel Methods" #~ msgstr "Párhuzamos módszerek használata" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "\"core\" fájl létrehozása megszakításkor" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memória:" #~ msgid "Diagonalization Method:" #~ msgstr "Hibakereső módszer" #~ msgid "Parallel Load Balance Type" #~ msgstr "Párhuzamos töltési egyensúly típus" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Ciklus" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Következő érték" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Külső adatmegjelenítés használata üzenetekhez" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO beolvasva ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO elmentve (DICTNRY)" #~ msgid "Skip" #~ msgstr "Kihagyás" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Alfa és béta pályák forgatása" #~ msgid "Print the Initial Guess" #~ msgstr "Kezdeti becslés kiírása" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK verzió)" #~ msgid "Direct SCF" #~ msgstr "Direkt SCF" #~ msgid "Slater exchange" #~ msgstr "Slater csere" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 csere" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) korreláció" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr korreláció" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater csere + VWN korreláció" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE csere + VWN5 korreláció" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE csere + LYP korreláció" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 csere" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) csere" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: egy-paraméteres progresszív korreláció" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) korreláció" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP korreláció" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE csere + OP korreláció" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL csere + VWN5 korreláció" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL csere + LYP korreláció" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE csere + VWN6 korreláció" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE csere +LYP korreláció" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE csere + OP korreláció" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF és BECKE csere + LYP korreláció" #~ msgid "words" #~ msgstr "szavak" #~ msgid "Compute MP2 Properties" #~ msgstr "MP2 tulajdonságok számítása" #~ msgid "Use Localized Orbitals" #~ msgstr "lokalizált orbitálok használata" #~ msgid "# of Core Electrons:" #~ msgstr "magelektronok száma" #~ msgid "Segmented Transformation" #~ msgstr "szegmentált átalakítás" #~ msgid "Numeric" #~ msgstr "Numerikus" #~ msgid "Print Internal Force Constants" #~ msgstr "Belső erőkonstansok megjelenítése" #~ msgid "Displacement Size:" #~ msgstr "Eltolódás mérete" #~ msgid "Read (from $HESS)" #~ msgstr "Olvas ($HESS - ből)" #~ msgid "Update Step Size" #~ msgstr "Lépésméret frissítése" #~ msgid "Jump Size:" #~ msgstr "Ugrás nagysága" #~ msgid "Stationary Point" #~ msgstr "Álló pont" #~ msgid "Initial:" #~ msgstr "Kezdeti:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Racionális függvény optimalizálás" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratikus megközelítés" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (kvázi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Szűkített optimalizálás" #~ msgid "Follow Mode:" #~ msgstr "Követési mód:" #~ msgid "Z-matrix" #~ msgstr "Z-mátrix" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Szabványos" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Ellenőrzőpont:" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO bevitel" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "Kvartett" #~ msgid "Quintet" #~ msgstr "Kvintett" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem bevitel" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Árnyékolók betöltése" #~ msgid "Shader Name:" #~ msgstr "Árnyékoló neve:" #~ msgid "Vertex Shader:" #~ msgstr "Csúcs árnyékoló:" #~ msgid "Display Type:" #~ msgstr "Meglenítés típusa:" #~ msgid "Font:" #~ msgstr "Betűtípus:" #~ msgid "Change Font..." #~ msgstr "A betűtípus megváltoztatása..." #~ msgid "New..." #~ msgstr "Új..." #~ msgid "Rename..." #~ msgstr "Átnevezés..." #~ msgid "&Schemes:" #~ msgstr "&Sémák:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Szélesség:" #~ msgid "&Height" #~ msgstr "&Magasság" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "&Betűméret automatikus beállítása" #~ msgid "&Gaussian Width:" #~ msgstr "Gauss-&szélesség:" #~ msgid "&Label peaks" #~ msgstr "&Csúcsok cimkézése" #~ msgid "&Y Axis Units:" #~ msgstr "&Y tengely egysége:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gauss-&szélesség:" #~ msgid "Label Peaks:" #~ msgstr "Csúcsok cimkézése:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekularezgés:" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "magasabb frekvenciájó rezgések esetéb gyorsabb mozgást mutat" #~ msgid "Animation speed set by frequency" #~ msgstr "Animáció sebességét a frekvencia állítja be" #~ msgid "Display force &vectors" #~ msgstr "Erő és vektorok megjelenítése" #~ msgid "Surface Type:" #~ msgstr "Felszín típusa:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Alacsony" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Közepes" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Magas" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Nagyon magas" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Ebben a megjelenítés típusban:" #~ msgid "New Display" #~ msgstr "Új megjelenítés" #~ msgid "Advanced..." #~ msgstr "Haladó..." #~ msgid "Python Settings" #~ msgstr "Python beállítások" #~ msgid "Z Matrix Editor" #~ msgstr "Z mátrix szerkesztő" OpenChemistry-avogadrolibs-ceb949f/i18n/id.po000066400000000000000000013657321516317240700212260ustar00rootroot00000000000000# Indonesian translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Andika Tulus Pangestu , 2020. # Ferdinand Tampubolon , 2021. # Reza Almanda , 2021, 2024. # RIDHO NURUL ADILLA , 2021. # Jacque Fresco , 2021. # fikril Ha , 2021. # Eisuke Kawashima , 2024, 2025. # "C.Y.A.N" , 2024. # Syifa Tadjoedin <31january2003@gmail.com>, 2024. # Arif Budiman , 2025, 2026. # Narada Fox , 2026. # LibreTranslate , 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-16 20:10+0000\n" "Last-Translator: Arif Budiman \n" "Language-Team: Indonesian \n" "Language: id\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Tugas Batch #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Tidak ada pesan yang ditentukan." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "keluaran skrip --print-options harus menghasilkan objek JSON di tingkat " "atas. Diterima:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Peringatan non-string dikembalikan." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Anggota ‘warnings’ bukanlah sebuah array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "File referensi ‘%1’ tidak ada." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Kesalahan saat mengisi file %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File ‘%1’ tidak valid. Elemen ‘contents’ atau ‘filePath’ tidak ditemukan." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entri file yang rusak: nama file/isi hilang atau bukan string:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entri file yang rusak pada indeks %1: Bukan objek." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "Anggota ‘files’ bukan array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Anggota ‘files’ tidak ditemukan." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "anggota 'mainFile' tidak merujuk pada entri di 'file'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Anggota ‘mainFile’ harus berupa string." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Respons harus berupa objek JSON di tingkat atas." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Output skrip:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Kesalahan parsing pada offset %L1: ‘%2’\n" "JSON mentah:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Kesalahan saat menyimpan representasi molekul ke string: Format file tidak " "dikenali: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Kesalahan saat menyimpan representasi molekul ke string: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Kesalahan saat membuat objek cjson: Kesalahan parsing pada offset %1: %2\n" "JSON mentah:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Kesalahan generator objek cjson: JSON yang diparsing bukan objek:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Generator Masukan (kesalahan)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Generator Masukan" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Lanjutkan" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tutup" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Tidak diketahui" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Berikut ini adalah file yang telah diubah:\n" "\n" "%1\n" "\n" "Apakah Anda ingin mengganti perubahan Anda untuk mencerminkan geometri atau " "opsi pekerjaan yang baru?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Apakah ingin mengganti file input yang telah diubah?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Masalah terjadi selama proses pembangkitan input:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Tidak ada file input yang perlu disimpan!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Tidak dapat terhubung ke MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Tidak dapat terhubung ke server MoleQueue. Pastikan server tersebut sedang " "berjalan dan coba lagi." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Kirim Perhitungan %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Pekerjaan Gagal" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Pekerjaan tidak berhasil diselesaikan." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Skrip menampilkan peringatan:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Sembunyikan Peringatan" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Tampilkan Peringatan" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Telah terjadi kesalahan:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Pilih nama file output" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Kesalahan internal: tidak dapat menemukan widget teks untuk nama file ‘%1’" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Kesalahan Output" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Gagal menulis ke file %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Pilih direktori output" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktori tidak ada!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktori tidak dapat dibaca!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File akan ditimpa." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File tidak dapat ditulis." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "File masukan tidak dapat ditulis karena terjadi kesalahan yang tidak " "diketahui." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "File masukan tidak dapat ditulis:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "File masukan tidak dapat ditulis:\n" "\n" "%1\n" "\n" "Peringatan:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Peringatan:\n" "\n" "%1\n" "\n" "Apakah Anda ingin melanjutkan?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Tulis file masukan" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Konfigurasi Tugas" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Mengirimkan pekerjaan ke MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Waktu Habis Pengiriman Pekerjaan" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro mengalami timeout saat menunggu respons dari MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Menunggu pekerjaan %1 “%2” selesai…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Berhenti menunggu" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Mendapatkan informasi pekerjaan yang telah selesai…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Waktu Habis untuk Pengambilan Pekerjaan" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro mengalami timeout saat menunggu detail pekerjaan yang telah selesai " "dari MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Kesalahan saat mengirimkan pekerjaan" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Pekerjaan telah ditolak oleh MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Tidak ada program yang dipilih." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Silakan pilih program tujuan dari daftar “Antrian dan Program”." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Klien gagal mengirimkan pekerjaan ke MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Kesalahan internal." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Tidak dapat menyelesaikan pemilihan program. Ini adalah bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Tidak ada set molekul yang ditetapkan dalam BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Tidak ada Io::FileFormat yang ditetapkan dalam BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Tidak ada nama file yang ditetapkan dalam BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Pembagian Horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Pembagian Vertikal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oksigen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silikon" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Belerang" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klorin" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Kromium" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Besi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Tembaga" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Seng" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdenum" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teknetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Perak" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Timah" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Yodium" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantanum" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Emas" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Merkuri" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Pimpin" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalsifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Telusuri" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Pilih file:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Pilih file executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Tidak dapat menemukan pembaca file yang sesuai untuk file yang dipilih." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Ekstensi file tidak ditemukan, sehingga formatnya tidak dapat ditentukan. " "Apakah Anda ingin menambahkannya?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Tidak dapat menemukan penulis file yang sesuai untuk format yang dipilih." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "penanganan" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "tangani" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "pembaca" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "baca" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "penulis" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "tulis" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Beberapa %1 ditemukan yang dapat %2 dalam format ini. Mana yang harus " "digunakan?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Semua file" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Semua format yang didukung" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Kesalahan saat membaca representasi molekul: Format file tidak dikenali: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 Pesan" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Peringatan" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Kesalahan" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Kesalahan saat menulis representasi molekul ke string: Format file tidak " "dikenali: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Kesalahan saat menulis representasi molekul ke string: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "‘userOptions’ tidak ditemukan." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Tidak dapat menemukan opsi ‘%1’." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "‘type’ bukan merupakan string untuk opsi ‘%1’." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Judul" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Nama File Dasar" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Inti Prosesor" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memori" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Jenis Perhitungan" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Dasar" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Muatan" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Keragaman" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Pelarut" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Model" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Nama Pengguna" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Kata sandi" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Jenis opsi yang tidak dikenali ‘%1’ untuk opsi ‘%2’." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Kesalahan saat menetapkan nilai default untuk opsi ‘%1’. Tipe widget tidak " "valid." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Kesalahan saat menetapkan nilai default untuk opsi ‘%1’. Nilai default yang " "tidak valid:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Kesalahan saat menetapkan nilai default untuk opsi ‘%1’. Tidak dapat " "menemukan indeks entri combo yang valid dari nilai:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Widget yang tidak ditangani dalam collectOptions untuk opsi ‘%1’." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[tidak ada molekul]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Lapisan %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola dan Tongkat" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Kartun" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Kontak Erat" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Jaringan Kristal" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kekuatan" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Label" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Permukaan" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-kovalen" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elemen Simetri" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volume" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Rangkaian kabel" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Sumbu Acuan" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Tanpa Judul" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Edit molekul" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Tidak disimpan" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Buat tampilan baru" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabel Periodik" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Mode paket memerlukan pixi tetapi tidak ditemukan." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Kesalahan saat menjalankan skrip ‘%1 %2’: Waktu tunggu habis saat menunggu " "proses dimulai (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Kesalahan saat menjalankan skrip ‘%1 %2’: gagal menulis ke stdin " "(panjang=%3, menulis %4 byte, kesalahan QProcess: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Kesalahan saat menjalankan skrip ‘%1 %2’: Waktu habis saat menunggu selesai " "(%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Kesalahan saat menjalankan skrip ‘%1 %2’: Status keluar abnormal %3 (%4: " "%5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Peringatan ‘%1’" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Kesalahan saat menulis permintaan mentah ke stdin skrip (len=%1, menulis %2 " "byte, kesalahan QProcess: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Skrip gagal dimulai." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Skrip mengalami crash." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Skrip telah habis waktu." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Kesalahan pembacaan." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Kesalahan penulisan." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Kesalahan yang tidak diketahui." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Ubah Lapisan" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Hapus Lapisan" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Hapus Informasi Lapisan" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Tambahkan Lapisan" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Tambahkan Informasi Lapisan" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Ubah Lapisan" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Tambahkan Atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Hapus Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Atom-atom yang jernih" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Sesuaikan Hidrogen" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Ubah Elemen" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Ubah Elemen" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Perubahan Hibridisasi Atom" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Ubah Muatan Formal Atom" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Ubah Warna Atom" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Ubah Warna Residu" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Ubah Lapisan Atom" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Tambahkan Ikatan" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Ikatan yang Dihapus" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Ikatan Jelas" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Tetapkan Urutan Ikatan" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Ubah Urutan Ikatan" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Pembaruan Ikatan" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Pembaruan Ikatan" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Tambahkan Sel Unit…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Hapus Sel Unit" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Edit Sel Unit" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Membungkus Atom ke Sel" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Ukuran Volume Sel" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Bangun Sel Super" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Pengurangan Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Putar ke Orientasi Standar" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Sederhanakan ke bentuk primitif" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Konvensionalisasi Sel" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Sel Simetri" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Isi Sel Unit" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Mengubah Sel menjadi Unit Asimetris" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Ubah Posisi Atom" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Ubah Posisi Atom" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Ubah Label Atom" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Ubah Label Ikatan" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Ubah Pilihan" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifikasi Molekul" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Pengaturan" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Menghitung…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Kurang dari satu detik tersisa" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n detik tersisa" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n menit tersisa" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 jam %n menit tersisa" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n jam tersisa" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Blok HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Berkas" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Ekspor" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "Tiga Dimensi Molekul" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Ubah Elemen…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Bangun" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemen:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alkimia" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Mengubah unsur-unsur atom." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Selaraskan" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Menyelaraskan Molekul\n" "\n" "Tombol Kiri Mouse: Pilih hingga dua atom.\n" "Atom pertama ditempatkan di titik asal.\n" "Atom kedua diselaraskan dengan sumbu yang dipilih.\n" "Tombol Kanan Mouse: Reset penyelarasan.\n" "Klik Ganda: Tempatkan atom di titik asal." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Sumbu:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Sesuaikan di Titik Awal" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Sesuaikan dengan Sumbu" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Letakkan atom di titik asal." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Putar molekul untuk menyelaraskan atom dengan sumbu yang ditentukan." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Alat penyelarasan" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Sesuaikan molekul dengan sumbu Cartesian" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Jalankan APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Buka File Keluaran…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "Masukan" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Buka File Keluaran" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "File OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Kesalahan IO" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Kesalahan saat membaca file struktur (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Kesalahan OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Kesalahan saat membaca file OpenDX: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Kesalahan saat membaca file OpenDX: Tidak ditemukan kubus." #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Berinteraksi dengan utilitas APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Buka File PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "File PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Buka File PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "File PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Kesalahan" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Kesalahan saat menjalankan APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Silakan tentukan file PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Kesuksesan" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Dihasilkan %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Kesalahan saat menjalankan PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Simpan File Masukan APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Masukan APBS (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "File masukan ditulis ke ‘%1’" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Tidak dapat menyimpan file %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Dengan Warna Kustom…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Oleh Indeks Atom…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Berdasarkan Jarak…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Oleh Elemen" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Oleh Rantai" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Dengan Muatan Parsial…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Oleh Struktur Sekunder" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Oleh Asam Amino" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Oleh Skema Shapely" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Panas" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Panas" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Abu-abu" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spektral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Dingin hangat" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Keseimbangan" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Biru-Merah Tua" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Terapkan skema warna pada atom dan residu." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Lihat" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Atom Warna" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Spektral" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Pilih Peta Warna" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Peta Warna:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Terapkan Warna Indeks" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Terapkan Warna Muatan" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Terapkan Warna Jarak" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Atur Ulang Warna Atom" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Terapkan Warna Kustom" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Terapkan Warna Residu Kustom" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Atur Ulang Warna Residu" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Terapkan Warna Struktur Sekunder" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Terapkan Warna Asam Amino" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Terapkan Warna Shapely" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Terapkan Warna" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Optimasi Otomatis" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Alat Optimalisasi Otomatis (%1)\n" "\n" "Fungsi Navigasi saat mengklik di ruang kosong.\n" "Tombol Kiri Mouse: Putar Ruang\n" "Tombol Tengah Mouse: Perbesar/Perkecil Ruang\n" "Tombol Kanan Mouse: Pindahkan Ruang\n" "Klik Ganda: Reset Tampilan\n" "\n" "Saat dijalankan:\n" "Tombol Kiri Mouse: Klik dan seret atom untuk memindahkannya.\n" "Tombol Kanan Mouse: Klik dan seret untuk memutar atom." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimalkan" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinamika" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Tugas:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Suhu:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Langkah waktu:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Mulai" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Berhenti" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimalkan Geometri" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Dinamika Molekuler" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Alat Optimasi Otomatis" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Optimisasi interaktif geometri molekul" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Skala atom" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Skala obligasi" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Kekeruhan" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Tampilkan beberapa ikatan" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Tampilkan hidrogen" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atom sebagai bola dan ikatan sebagai silinder." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulasi Berbasis Ikatan" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Alat Manipulasi Berbasis Ikatan (%1)\n" "\n" "Tombol Kiri Mouse: Klik dan seret untuk memutar tampilan.\n" "Tombol Tengah Mouse: Klik dan seret untuk memperbesar atau memperkecil " "tampilan.\n" "Tombol Kanan Mouse: Klik dan seret untuk memindahkan tampilan.\n" "Klik Ganda: Reset tampilan.\n" "\n" "Klik Kiri & Seret pada Ikatan untuk menetapkan bidang manipulasi\n" "Klik Kiri & Seret salah satu atom dalam ikatan untuk mengubah sudut\n" "Klik Kanan & Seret salah satu atom dalam ikatan untuk mengubah panjang" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Alat manipulasi yang berfokus pada obligasi." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Alat yang digunakan untuk mengedit geometri molekul dengan mengubah panjang " "ikatan dan sudut ikatan." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Atom Ikatan" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Menerima Perintah Ikatan" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Hapus Ikatan" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Konfigurasi Pengikatan…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Atom Terpilih dalam Ikatan" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Ikatan" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Hapus ikatan dari semua atau atom yang dipilih." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Buat ikatan antara semua atau atom-atom yang dipilih." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Menerima pesanan obligasi." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Pengikatan" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Lakukan operasi pengikatan." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Tulang punggung" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Lacak" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tabung" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Pita" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Kartun Sederhana" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Kartun" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Tali" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Tampilan pita biomolekul / kartun." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Tambahkan Titik Pusat" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Tambahkan Pusat Massa" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Tambahkan Tegak Lurus" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Titik pusat" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Tambahkan titik pusat dan pusat massa." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Jarak maksimum:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Lebar garis:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Hubungi" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Jembatan Garam" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Menjijikkan" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Menampilkan interaksi dekat antara atom." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Perpanjangan" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Skrip" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Kesalahan saat membaca file output ‘%1’:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Pengolahan %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Tetapkan jalur ke interpreter Python:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Pilih interpreter Python untuk menjalankan skrip eksternal.\n" "Avogadro harus di-restart agar perubahan dapat diterapkan." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Skrip perintah" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Jalankan perintah skrip eksternal" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Pengaturan Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Memasang Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python digunakan untuk banyak fitur Avogadro. Apakah Anda ingin mengunduh " "Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Konfigurasi Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Konfigurasikan lingkungan Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Lainnya…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Batasan…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Hitung" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Batasan" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Tetapkan batasan untuk optimasi geometri" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Jarak" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Sudut" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Sudut Torsi" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Bekukan Atom" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Bekukan Sumbu X" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Bekukan Sumbu Y" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Bekukan Sumbu Z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Jenis" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Nilai" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Editor Atomik Koordinat…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinator editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Pengeditan teks koordinat atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Apakah ingin mengganti perubahan?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Dokumen teks telah diubah. Apakah Anda ingin membatalkan perubahan Anda dan " "kembali ke molekul saat ini?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Terlalu sedikit entri yang tersedia secara online." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nama elemen tidak valid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nama elemen." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Simbol elemen tidak valid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbol unsur." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Label atom tidak valid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Indeks atom tidak valid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indeks atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Nomor atom tidak valid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Nomor atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Koordinat tidak valid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Koordinat X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Koordinat Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Koordinat Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Koordinat kisi ‘a’." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Koordinat kisi ‘b’." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Koordinat kisi ‘c’." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Kesalahan saat menerapkan geometri" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Tidak dapat memproses spesifikasi geometri. Perbaiki kesalahan yang ditandai " "dan coba lagi.\n" "\n" "(Tips: Arahkan kursor mouse ke teks berwarna merah untuk melihat deskripsi " "kesalahan.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Koordinat Atom" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Kustom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Format XYZ (simbol)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Format XYZ (nama)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Format XYZ (nomor atom)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Koordinat kisi (simbol)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Koordinat kisi (nama)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Koordinat kisi (nomor atom)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Format GAMESS (simbol)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Format GAMESS (nama)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Format Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Salin" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Potong" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Hapus" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Tempel" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SENYUM" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Salin Sebagai" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Kesalahan Pemotongan Molekul" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Kesalahan saat menghasilkan data clipboard." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format keluaran: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Kesalahan pembaca:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Kesalahan saat menempelkan molekul" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Tidak dapat menempelkan molekul: Clipboard kosong!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Kesalahan saat membaca data clipboard." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Format yang terdeteksi: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Salin dan tempel" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Berinteraksi dengan clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Masukan CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generate input untuk CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energi dan Gaya" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimasi Geometri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Metode struktur elektronik (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Mekanika Molekuler" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrida kuantum-klasik (Belum didukung)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "TIDAK ADA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "INTISARI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "KEPADATAN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "SEJARAH_MULAI_ULANG" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ACAK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "MULAI ULANG" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Gradien Konjugasi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Turunan tercuram" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "File input telah diubah. Apakah Anda ingin mengganti perubahan Anda untuk " "mencerminkan geometri atau opsi pekerjaan yang baru?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Apakah ingin mengganti file masukan yang telah diubah?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Simpan file input CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Kirimkan Perhitungan CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Impor Kristal dari Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Aktifkan/Nonaktifkan Sel Unit" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Sel Unit…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Membungkus Atom ke Sel Unit" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Putar ke Standar &Orientasi" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Skala Sel &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Bangun &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Mengurangi Sel (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Hapus &Sel Unit" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Tambahkan &Sel Unit" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Impor Crystal dari Clipboard" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Masukkan atom-atom ke dalam sel satuan." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Putar sel satuan ke orientasi standar." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli Mengurangi Kristal" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Sel unit sudah dikurangi." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Alat untuk pengeditan/analisis spesifik kristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Sumbu warna:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Warna garis:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render batas sel unit." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Tidak dapat memproses teks" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Gagal membaca data dengan format yang disediakan." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Tidak ada sel satuan yang ada." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Editor Sel Unit" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Mengabaikan matriks sel tunggal" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Mengabaikan matriks sel pecahan tunggal" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Pindahkan Elemen Kustom…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulasi jenis elemen kustom dalam molekul saat ini." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elemen Kustom" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momen Dipol" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Hitung momen dipol molekul." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Gambarlah" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Alat Gambar (%1)\n" "\n" "Tombol Kiri Mouse: Klik dan Seret untuk membuat Atom dan Ikatan\n" "Tombol Kanan Mouse: Hapus Atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Gambarlah Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Ubah Jenis Ikatan" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Hapus Ikatan" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Jarak:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Alat editor" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Otomatis" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Tunggal" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Ganda" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Tiga" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Impor" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Ambil PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Tidak dapat membaca molekul PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Kode PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Struktur kimia untuk diunduh." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Kode PDB tidak valid" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Kode PDB harus tepat 4 karakter panjangnya." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Huruf pertama kode PDB harus berupa angka 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Mencari untuk %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Unduhan Jaringan Gagal" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Waktu tunggu jaringan habis atau kesalahan lain." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Molekul yang ditentukan tidak dapat ditemukan: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Ambil dari PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Unduh model PDB dari Protein Data Bank" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Pilihan Fokus" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Tidak fokus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Fokus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Fokuskan tampilan pada fitur-fitur tertentu." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render visualisasi medan gaya untuk atom-atom molekul." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Pasukan" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Konfigurasikan…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Bekukan Atom yang Terpilih" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Bekukan X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Bekukan Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Bekukan Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Buka Beku Atom yang Terpilih" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Pilih Atom yang Dipilih" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Lepaskan atom yang dipilih" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Tidak ada atom yang disediakan untuk optimasi" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energi: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energi = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Norma Kekuatan = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Optimasi Forcefield" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Minimisasi Forcefield, termasuk skrip" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Opsi…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Opsi Model Tidak Valid" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Tidak dapat mengurai opsi pengguna untuk model '%1'." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "Opsi %1" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Deteksi otomatis (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Lapisan Pertahanan Universal" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Model Amber Force Field yang Digeneralisasi" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck Model Molekuler 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMES…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Masukan GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input untuk GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Titik Tunggal" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometri Keseimbangan" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Negara Transisi" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekuensi" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Buat EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potensi Inti" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Tidak ada" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Air" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dedikasi" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Netral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Simpan file input GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Kirimkan Perhitungan GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Sesuaikan Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Tambahkan Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Hapus Hidrogen Ekstra" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Hapus Semua Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Tambahkan/hapus hidrogen dari molekul saat ini." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrogen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Cari PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Impor dari PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Unduh molekul dari PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Sisipkan" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Masukkan DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Urasil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Masukkan Molekul…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Membuat molekul 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Sisipkan DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Masukkan fragmen DNA/RNA melalui dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Kesalahan saat membaca file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Impor Kristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Sisipkan Fragmen" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Sisipkan Fragmen" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Masukkan fragmen molekul untuk membangun molekul yang lebih besar." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptida…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Sisipkan Peptida" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "SisipkanPeptida" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Sisipkan sekuens oligopeptida." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Warna:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Jarak dari pusat:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Skala label:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Indeks" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID Unik" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemen" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Elemen & Nomor" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Elemen & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Muatan Parsial" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Label Atom:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Panjang" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Label Ikatan:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nama" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Nama & ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Label Sisa:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Tampilkan label pada gaya bola dan tongkat." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Edit Label" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Alat Label Atom\n" "\n" "Klik Kiri Mouse: Klik pada Atom untuk menambahkan Label Kustom" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Buat Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Alat pengedit label" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Masukan LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input untuk LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Apakah Anda ingin memperbarui teks pratinjau, yang akan menghapus semua " "perubahan yang telah dilakukan di panel pratinjau input deck Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Kekeruhan:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atom sebagai permen licorice / batang." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SENYUM…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Tidak ditemukan deskriptor!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Tidak ditemukan pembaca format baris!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Tidak dapat memuat pembaca format yang diminta." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Tidak ditemukan koordinat!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Tidak dapat menghasilkan koordinat 3D." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Format Masukan Baris" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Muat deskriptor molekul satu baris melalui dialog input." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulasi" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Alat Manipulasi (%1)\n" "\n" "Tombol Kiri Mouse: Klik dan seret untuk memindahkan atom\n" "Tombol Kanan Mouse: Klik dan seret untuk memutar atom." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Alat manipulasi" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Ukur" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Alat Pengukuran (%1)\n" "\n" "Tombol Kiri Mouse: Pilih hingga empat atom.\n" "Jarak diukur antara 1-2 dan 2-3\n" "Sudut diukur antara 1-3 dengan 2 sebagai titik acuan\n" "Sudut dihedral diukur antara 1-2-3-4\n" "Tombol Kanan Mouse: Reset pengukuran." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Sudut:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Alat pengukur" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(tertunda)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Properti" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Nama Molekul" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Massa Molekul (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Massa Monoisotopik (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Rumus Kimia" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Jumlah Atom" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Jumlah Ikatan" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Himpunan Koordinat" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Jumlah Sisa" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Jumlah Rantai" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Muatan Bersih" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Jumlah Putaran Jaring" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Momen Dipol (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Energi HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Energi LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Energi SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Energi Total (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Energi Titik Nol (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpi (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropi (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Energi Gibbs Bebas (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Kelompok Titik" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molekuler…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Lihat sifat umum molekul." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analisis" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Properti" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Sifat Molekuler" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Sifat Molekul" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Ekspor CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "File CSV (*.csv);;Semua File (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Tidak dapat membuka file untuk ditulis." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Kesalahan saat menulis ke file." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Ekspor…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigasi" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Alat Navigasi (%1)\n" "\n" "Tombol Kiri Mouse: Klik dan seret untuk memutar tampilan.\n" "Tombol Tengah Mouse: Klik dan seret untuk memperbesar atau memperkecil " "tampilan.\n" "Tombol Kanan Mouse: Klik dan seret untuk memindahkan tampilan." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Putar adegan sepanjang sumbu x, y, atau z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Perbesar adegan." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Terjemahkan adegan tersebut." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Balik Arah Zoom Saat Menggulir" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Default: Geser ke bawah untuk memperkecil, geser ke atas untuk " "memperbesar\n" "Terbalik: Geser ke atas untuk memperkecil, geser ke bawah untuk " "memperbesar" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Alat navigasi" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nama Kimia" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Database Jaringan" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Berinteraksi dengan basis data online, struktur kueri, dan sebagainya." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Toleransi sudut:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Kalkogen" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Gambarkan beberapa interaksi non-kovalen." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Konfigurasi Lapisan Pelindung…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Pencarian Conformer…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Mengenali Ikatan" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Tambahkan hidrogen untuk pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Hapus Hidrogen" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 tidak ditemukan! Menonaktifkan tindakan plugin Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "File Open Babel belum siap untuk ditambahkan." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Memuat molekul dari Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Terjadi kesalahan internal: Metode OpenBabel::readMolecule dipanggil, tetapi " "tidak ada output OpenBabel yang tersedia untuk diparsing!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Terjadi kesalahan saat menjalankan Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Kesalahan dalam mengurai output OpenBabel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Terjadi kesalahan saat mengambil daftar forcefield yang didukung. " "(menggunakan ‘%1’)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekul tidak valid. Tidak dapat mengoptimalkan geometri." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Tidak dapat mengoptimalkan geometri dengan Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimasi Geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Sedang diproses…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Terjadi kesalahan internal saat menghasilkan representasi Open Babel dari " "molekul saat ini." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Mulai %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Langkah %1 dari %2\n" "Energi saat ini: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Memperbarui molekul…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Kesalahan dalam menginterpretasikan output Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Jumlah atom dalam output obabel (%1) tidak sesuai dengan jumlah atom dalam " "molekul asli (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molekul tidak valid. Tidak dapat menghasilkan konformer." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Tidak dapat menghasilkan konformer dengan Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Pembuatan Konformer (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generate Konformer" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Tidak dapat membuka file dengan Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molekul tidak valid: Tidak dapat mendeteksi ikatan." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Mengenali Ikatan (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Membuat representasi XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Kesalahan saat menghasilkan string XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Mengonversi XYZ ke Open Babel dengan %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Mengonversi XYZ ke Open Babel dengan %1…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Tidak dapat menambahkan hidrogen menggunakan Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Menambahkan Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Membuat input Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Kesalahan saat menghasilkan input Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Menjalankan %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Tambahkan hidrogen untuk pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Membuat input obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Tidak dapat menghapus atom hidrogen menggunakan Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Menghapus Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Kesalahan saat menghasilkan data Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Membaca output obabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Sudah menjalankan Open Babel. Tunggu hingga operasi lain selesai dan coba " "lagi." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Berinteraksi dengan utilitas OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Skrip…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Masukan OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input untuk OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Apakah Anda ingin memperbarui teks pratinjau, yang akan menghapus semua " "perubahan yang telah dilakukan di panel pratinjau dek input OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.atas" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "atas" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Benar" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Tampilkan sumbu referensi di sudut layar." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Kelola Plugin…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Penginstal Paket" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Instal, perbarui, dan hapus paket Avogadro." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Kesalahan mengunduh daftar plugin: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Kesalahan: respons kosong dari server." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Kesalahan mengambil README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Tidak Ada yang Dipilih" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Centang kotak di samping plugin untuk menginstal atau memperbaruinya." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (memerlukan %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Ketidakcocokan Versi" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Plugin berikut memerlukan versi Avogadro yang lebih baru:\n" "\n" "%1\n" "\n" "Instal tetap saja?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "Tidak Ada Unduhan yang Tersedia" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Plugin yang dipilih tidak menyediakan URL sumber yang dapat diunduh:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Gagal mengikuti pengalihan saat mengunduh %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Gagal mengunduh dari %1: status %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Gagal mengunduh dari %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Mengunduh %1 hingga %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Mengekstrak %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Ekstraksi selesai (%1 file)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Kesalahan: tidak dapat memindahkan paket yang diekstrak %1 ke %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Kesalahan ekstraksi: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Ekstraksi tidak menghasilkan file.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Instalasi selesai.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Tidak Ada yang Dihapus" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Centang kotak di samping plugin yang terinstal untuk menghapusnya." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Hapus Plugin" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Hapus %n plugin yang dipilih?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Simpan File" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Hapus File" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Pilih Direktori Plugin" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Direktori Tidak Valid" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "Direktori yang dipilih tidak mengandung file pyproject.toml." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Plugin sudah terinstal sebagai symlink: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Symlink dibuat: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "Pembuatan symlink gagal; menyalin file sebagai gantinya…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Gagal menyalin paket ke %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Menginstal plugin dari %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Belum terinstal" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Terinstal (terkini)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Pembaruan tersedia" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Terinstal secara lokal (tidak ada dalam katalog online)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Memerlukan Avogadro %1 atau yang lebih baru (sedang menjalankan %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Ikon fitur:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versi" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Fitur" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Deskripsi" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Elektrostatika" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Model Energi" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Format File" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Generator Input" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Perintah" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERROR: Tidak dapat membuka file ZIP untuk menampilkan daftar isinya.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERROR: Tidak dapat membuka file ZIP untuk mengekstrak file.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Peringatan: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Pemain" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Alat Animasi (%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Bingkai:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Mulai:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Akhir:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Ikatan dinamis?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Kecepatan bingkai:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Mainkan" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Catat…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Jeda" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Ekspor Grafik Bitmap" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);;Film (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Peringatan dukungan GIF FPS" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "Format file GIF tidak mendukung kecepatan bingkai di atas 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Film (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Kesalahan: Tidak dapat menambahkan bingkai ke video." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Alat pemain" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Putarkan kembali lintasan" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Plot Data Konformer…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Analisis Konformer" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Jenis Plot:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Kecepatan" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Satuan Energi:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "hingga" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Energi Relatif (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Gaya (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Kecepatan (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "PlotKonformer" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Hasilkan dan plot data konformer (RMSD atau energi)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Fungsi Distribusi Pasangan Plot…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Gagal menghasilkan pola PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Pesan kesalahan: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "Plot PDF" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Buat dan gambarkan kurva Fungsi Distribusi Pasangan." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Pola XRD Teoritis…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Gagal menghasilkan pola XRD" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Gagal mengonversi molekul ke format CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data yang dibaca dari genXrdPattern tampaknya rusak!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Kesalahan: Tidak dapat menemukan file executable genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Kesalahan: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Buat dan plot pola XRD teoretis menggunakan ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Pembaruan" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Kesalahan saat mengunduh data plugin." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Kesalahan dalam memproses data plugin." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Plugin ini memerlukan beberapa paket untuk dipasang.\n" "Apakah Anda ingin memasang mereka?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Selalu" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Jangan pernah" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Gagal mengunduh dari %1: kode status %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Mengekstrak %1 hingga %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Selesai %1 file\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Ekstraksi berhasil\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Kesalahan saat mengekstrak: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Instalasi dibatalkan\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Unduh Plugin…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Unduh Plugin" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Unduh plugin dari repositori GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Simpan File" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;File teks (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render adegan menggunakan PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Render POV-Ray…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;File teks (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render adegan menggunakan POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Klik untuk mengubah warna" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valensi" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Muatan Formal" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Muatan Parsial" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Label" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isotop" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Warna" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Mulai Atom" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Akhir Atom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Pesanan Ikatan" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Panjang (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Rantai" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Struktur Sekunder" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Titik sudut" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Sudut (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energi (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Sesuaikan Fragmen" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π Heliks" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bengkok" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α Heliks" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β Sheet" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 heliks" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β Jembatan" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Putar" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Kumparan" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Sifat Atom…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Properti Obligasi…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Sifat Sudut…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Sifat Torsi…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Sifat Sisa…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Sifat-sifat Conformer…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tabel untuk menampilkan dan mengedit properti atom, ikatan, sudut, dan torsi." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tabel Properti" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Sifat Atom" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Sifat-sifat Ikatan" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Sifat Sudut" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Sifat Torsi" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Sifat-sifat Conformer" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Sifat Sisa" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Jenis Muatan Parsial" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Pilih jenis muatan parsial:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Ubah Jenis Muatan…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Bekukan Atom" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Bekukan X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Bekukan Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Bekukan Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Buka Beku Atom" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Pembatasan Ikatan" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Batas Sudut" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Membatasi Torsi" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Hapus Batasan" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Tidak dapat membaca file %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Gagal membuat file sementara." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Menampilkan primitif menggunakan properti QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Grafik Molekuler…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Grafik Molekul dengan Pasangan Elektron Bebas…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Muatan Atom…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Buka File WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "File WFN (*.wfn);;Semua file (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Perpanjangan QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Masukan kuantum" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generate input untuk kode kuantum." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Pusat" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Sesuaikan Tampilan dengan Sumbu" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Sesuaikan tampilan dengan sumbu." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset tampilan" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Mengoperasikan kamera pemandangan." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Model Muatan Skrip" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Muat model elektrostatik dari skrip eksternal." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Format File Skrip" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Muat pembaca/penulis file dari skrip eksternal." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Pilih Semua" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Pilih Tidak Ada" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Balikkan Pemilihan" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Pilih berdasarkan Elemen…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Pilih berdasarkan Indeks Atom…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Pilih berdasarkan residu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Pilih Atom Tulang Punggung…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Pilih Atom Sidechain…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Pilih Air" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Perbesar Pilihan" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Pilih Pilihan" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Buat Lapisan Baru dari Pemilihan" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Ubah pilihan" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Pilih" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Pilih Elemen" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Pilih Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Pilih Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Pilih Atom berdasarkan Indeks" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atom yang Dapat Dipilih:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Pilih Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Pilih Atom berdasarkan Residu" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Sisa-sisa yang akan dipilih:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Pilih Sisa" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Pilih" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Pemilihan" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Alat Pemilihan (%1)\n" "\n" "Tombol Kiri Mouse: Klik untuk memilih atom, residu, atau fragmen secara " "individual\n" " Seret untuk memilih rentang atom\n" "Tombol Kanan Mouse: Klik di luar molekul untuk menghapus pemilihan\n" "Gunakan Ctrl untuk beralih antara memilih dan membatalkan pemilihan, dan " "Shift untuk menambahkan ke pemilihan.\n" "Klik Ganda: Pilih seluruh fragmen." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Cat Atom" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Alat pemilihan" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Lapisan Baru" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Kelompok Perceive Space…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetri" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Mengurangi menjadi Unit Asimetris" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Atur Toleransi…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Isi Sel Unit…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Isi Sel Translasi…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Kelompok Ruang" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Isi atom simetris berdasarkan kelompok ruang kristal." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Isi semua atom berdasarkan grup ruang kristal." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Kelompok Persepsi Ruang" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Grup ruang sudah diatur ke: %1.\n" "Apakah Anda ingin menggantinya?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Persepsi grup ruang berhasil:\n" "Toleransi: %1 Å\n" "Grup Ruang: %2\n" "Simbol Hall: %3\n" "Simbol Internasional: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Kegagalan" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Penerimaan grup ruang gagal.\n" "Apakah Anda ingin mencoba lagi dengan toleransi yang berbeda?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Pengurangan Primitif" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Toleransi saat ini diatur ke: %1.\n" "Apakah Anda ingin melanjutkan dengan toleransi ini?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Pengurangan primitif gagal.\n" "Silakan periksa kristal Anda dan coba lagi dengan toleransi yang berbeda." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Proses konvensionalisasi sel gagal.\n" "Silakan periksa kristal Anda dan coba lagi dengan toleransi yang berbeda." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrizasi gagal.\n" "Silakan periksa kristal Anda dan coba lagi dengan toleransi yang berbeda." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "Dengan toleransi sebesar %1 Å, informasi grup ruang yang terdeteksi adalah " "sebagai berikut:\n" "Nomor internasional: %2\n" "Simbol Hall: %3\n" "Simbol Internasional: %4\n" "\n" "Lanjutkan dengan grup ruang ini?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Pilih toleransi dalam Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triklinik" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoklinik" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Ortorombik" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Rombohedral" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Heksagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Kubik" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Sel Primitif Terdeteksi" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "Sel unit saat ini tampak sebagai sel primitif (sudut bukan 90°), tetapi grup " "ruang %1 memerlukan sel konvensional berpusat.\n" "\n" "Mengisi sel unit dapat menyebabkan duplikasi atom yang tidak diharapkan.\n" "\n" "Apakah Anda ingin membuat sel konvensional terlebih dahulu?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Gagal mengonvensionalisasi sel." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internasional" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Sistem Kristal" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Pilih Kelompok Ruang" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Kelompok Ruang" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Fitur kelompok ruang untuk kristal." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Plot Spektrum…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spektrum" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Tampilkan grafik spektrum." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Inframerah" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "CD Vibrasional" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "CD Magnetik" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Elektronik" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Dichroisme Lingkar" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Kepadatan Negara" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Pilih Warna Latar Belakang" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Pilih Warna Latar Depan" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Pilih Warna Spektrum yang Dihitung" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Pilih Warna Spektra Mentah" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Pilih Warna Spektrum Impor" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Panjang gelombang (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frekuensi (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Spektrum Getaran" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Bilangan gelombang (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmisi" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Spektrum Raman" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensitas" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Dikroisme Sirkular Vibrasional" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Dikroisme Sirkular Magnetik" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "Spektrum NMR" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Pergeseran Kimia (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Spektrum Elektronik" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energi (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Spektrum Dichroisme Lingkar" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Kepadatan" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Dirapikan" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Mentah" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Diimpor" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Impor Data" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "File CSV (*.csv);;File TSV (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Permukaan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Gaya:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Render permukaan molekul." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Orbital Molekuler…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Jendela Orbital" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Tampilkan daftar orbit." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Okupansi" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Orbital Molekuler" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Akses Pelarut" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Pelarut Terkecuali" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molekuler" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Kepadatan Elektron" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Kepadatan Spin" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Dari File" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " dari %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Buat Permukaan…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Render permukaan van der Waals." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Render permukaan molekuler van der Waals." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Render permukaan molekul yang dapat diakses oleh pelarut." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Render permukaan molekul yang dikecualikan dari pelarut." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Render orbital molekul." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Render densitas elektron." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Render densitas spin." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Render kubus yang disertakan dalam file." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Kubus %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Perhitungan densitas elektron" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Menghitung densitas spin" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Perhitungan persentase orbital molekul %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Permukaan Selesai" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Film AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Ekspor Film" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Film MP4 (*.mp4);;Film AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Tidak dapat menemukan widget render yang aktif, gagal." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Membaca dan menampilkan permukaan." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render adegan dalam file SVG." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Kelas" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Simetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Sediakan fungsi simetri." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render elemen simetri." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Kelompok %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Template Tool (%1)\n" "\n" "Sisipkan fragmen, termasuk pusat logam.\n" "Pilih elemen dan geometri koordinasi, lalu klik untuk menyisipkan fragmen.\n" "\n" "Pilih ligan atau kelompok fungsional dan klik pada atom hidrogen untuk " "menempelkannya." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Papan Klip" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Sisipkan Template" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Masukkan Ligand" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Alat templat" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Tampilan sederhana bola VdW." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Memulai Animasi" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Menghentikan Animasi" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Mode Getaran…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Tampilkan dialog mode getaran." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Atur mode getaran." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Atur amplitudo getaran." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Mulai animasi getaran." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Hentikan animasi getaran." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Getaran" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Tampilkan mode getaran." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Render VRML…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;File teks (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render adegan menggunakan VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render molekul sebagai kerangka garis." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Hitung Struktur Band…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Tidak dapat menghitung struktur band: tidak ada sel satuan!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Eksekusi Yaehmop gagal dengan kesalahan berikut:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Gagal membaca output struktur band dari Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Hanya satu titik k khusus yang ditemukan dalam output Yaehmop! Diperlukan " "dua atau lebih!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "ruang k" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Tingkat Fermi" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Tidak dapat menemukan Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Kesalahan: %1 gagal dimulai" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop Masukan" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Lakukan perhitungan Hückel yang diperluas dengan yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulir" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Pengaturan Perhitungan" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Teks tempatholder…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Skrip…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Kirimkan Perhitungan…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Simpan Masukan…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Antrian dan Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Segarkan" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Jumlah inti prosesor yang akan dialokasikan untuk " "pekerjaan ini.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Inti prosesor:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Hapus file kerja jarak jauh setelah pekerjaan selesai. " "Hasil akan tetap disalin ke cache pekerjaan MoleQueue lokal terlebih dahulu." "

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Hapus file jarak jauh setelah selesai:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Centang kotak ini untuk mencegah pekerjaan ini muncul " "secara default di antarmuka pengguna MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Sembunyikan pekerjaan di MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Tampilkan pemberitahuan popup sistem saat status " "pekerjaan berubah.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Tampilkan pemberitahuan kemajuan:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Buka output setelah selesai:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Ubah Nama Elemen" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Sisipkan Fragmen…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Ketik nama atau sebagian nama untuk menampilkan hanya file yang sesuai." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Sisipkan" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol Snippet HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Salin ke Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Struktur File Masukan" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input dari PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "File PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Medan Gaya:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Jalankan PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Muat File PQR yang Sudah Ada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "File PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "File Masukan APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Simpan File Masukan" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Jalankan APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sukses!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Muat File Struktur" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Muat File Kubus" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Biaya Parsial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Model Muatan:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Toleransi Jarak:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Jarak Minimum:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Hanya lingkungan conda “dasar” yang ada.\n" "Apakah Anda ingin membuat lingkungan baru untuk Avogadro?\n" "Ini akan membuat salinan dari lingkungan dasar Anda.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nama lingkungan:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Pilih versi Python yang digunakan untuk menjalankan skrip.\n" "Avogadro harus di-restart agar perubahan dapat diterapkan." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Lingkungan:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Tambahkan Batasan" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Jenis:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Indeks Atom:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Nilai:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Tambahkan" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Pilihan" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Dapatkan Batasan" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Hapus yang Terpilih" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Hapus Semua" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Baiklah" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor Koordinator" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Pengaturan default:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Satuan Jarak:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Spesifikasi format. Setiap karakter menunjukkan nilai " "yang akan ditulis per atom:

# " "- Indeks atom (1, 2, ..., numAtoms)
Z - Nomor atom (misalnya “6” untuk karbon)
G - Nomor atom gaya GAMESS (misalnya “6.0” untuk " "karbon)
N - Nama unsur " "(misalnya “Karbon”)
S - Simbol " "unsur (misalnya “C” untuk karbon)
L - Label atom (misalnya ‘C2’ untuk atom karbon kedua, “H1” untuk atom " "hidrogen pertama)
x - " "Koordinat posisi X
y - " "Koordinat posisi Y
z - " "Koordinat posisi z
a - " "Koordinat kisi ‘a’ (hanya untuk kristal)
b - Koordinat kisi ‘b’ (hanya untuk kristal)
c - Koordinat kisi ‘c’ (hanya untuk " "kristal)
_ - Spasi literal " "(“ ”), berguna untuk penyelarasan
0 - Angka 0 literal (“0”), berguna untuk bendera optimasi
1 - Angka 1 literal (“1”), berguna untuk " "bendera optimasi

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Tolong…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Tempel" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Kembalikan" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Jelas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Ajukan" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Masukan CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset Semua" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Pengaturan default" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Simpan File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Pengaturan Dasar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Judul:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Nama File Dasar:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "pekerjaan" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Hitung:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Himpunan dasar:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Fungsional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Putar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Jenis Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson Ewald GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "BENAR" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF Tebak" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "EPS Luar SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T Pengurangan" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "Ekstensi file untuk konversi Open Babel (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parameter Supercell" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Pilihan Super Sel" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ulang A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ulang B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ulang C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriks Sel:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriks Pecahan:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformasi Atom" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "Terapkan" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Kembalikan" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sembunyikan" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Satuan Skala Volume Sel" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Baru &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Faktor Skala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume Saat Ini:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "LabelTeks" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orde Ikatan:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parameter Optimasi Geometri" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriteria Konvergensi" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Konvergensi energi:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Batasan langkah:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unit" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " langkah" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Konvergensi gradien:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metode Optimisasi" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Medan gaya:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Deteksi otomatis" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Masukan GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dalam:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "BATAS KONVERSI" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Pengalian:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Dengan:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Muatan:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Impor dari PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Cari" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nama" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inci" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Cari Berdasarkan: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Rumus:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Unduh" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nama:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Masukkan Asam Nukleat" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Pembangun DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Asam nukleat:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Sitosin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Urutan:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "jumlah pasangan basa per putaran heliks" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Yang lain" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Jumlah Basis per Putaran:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Serat:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Tunggal" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Ganda" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Pembuat Peptida" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Asam Aspartik" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Sistein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Asam Glutamik" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glisin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleusin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirosin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptopan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenilalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leusin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Asam Amino:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Urutan (N ke C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereokimia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Struktur:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Rantai Lurus" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "Heliks α" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "Lembaran β" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "Heliks 3-10" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "Heliks π" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Nomor Rantai:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Nomor rantai untuk peptide baru" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Masukan LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Masukkan file komentar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Pilih gaya unit yang akan digunakan selama simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unit" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "nyata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "logam" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potensial Air" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Pilih gaya atom yang digunakan oleh file data." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Gaya Atom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "sudut" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomik" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ikatan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "muatan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "penuh" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekuler" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "bola" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paket gelombang" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Tentukan nama yang akan digunakan untuk file koordinat." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "File Data Koordinat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Suhu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Pilih jumlah rantai Nosé-Hoover dalam ensambel NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Jaringan NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Langkah waktu untuk simulasi dalam satuan sesuai dengan spesifikasi “Satuan”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Langkah Waktu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nama file XYZ yang akan ditulis selama simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Buang XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Jumlah dimensi dalam sistem." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Ubah gaya batas Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Ubah gaya batas Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Ubah gaya batas X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Pilih gaya batas pada arah X, Y, dan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Batas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Jumlah replikasi pada arah X, Y, dan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replikasi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Duplikat arah X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Duplikat arah Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Duplikat arah Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Jumlah total langkah waktu yang diperlukan untuk menjalankan simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Jumlah Langkah" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Interval Pembuangan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Tentukan kecepatan awal atom untuk simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Kecepatan Awal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Pilih distribusi kecepatan atom awal." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "seragam" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Atur kecepatan atom awal agar sesuai dengan suhu ini." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Hapus momentum linier sistem dari kecepatan awal." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momentum Linear Nol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Hapus momentum sudut sistem dari kecepatan awal." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momen Sudut Nol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Mengontrol keluaran termodinamika selama simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval Keluaran" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Gaya keluaran termodinamika." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Satu Baris" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Baris" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Gunakan Bentuk" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Diterjemahkan oleh:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Berputar di sekitar:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Asal" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Pusat Molekul" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Pusat Seleksi" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Sumbu X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Sumbu Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Sumbu Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Pindahkan:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Atom-atom Terpilih" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Segala Hal Lainnya" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Pencarian Conformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Jumlah konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Pencarian rotor sistematik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Pencarian rotor acak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Pencarian rotor terbeban" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Pencarian algoritma genetika" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimasi per konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opsi Algoritma Genetika" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "jumlah anak untuk setiap induk dalam geometri" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Anak-anak:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frekuensi mutasi (semakin rendah = semakin sering terjadi mutasi)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Kemampuan berubah:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "jumlah generasi identik sebelum konvergensi tercapai" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Konvergensi:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Metode penilaian:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "metode penilaian untuk algoritma genetika (RMSD = jarak geometris, energi = " "energi terendah)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritma optimasi:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Teknik pencarian garis:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Cara Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradien Konjugasi" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Sederhana" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Metode Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Batasi Interaksi Non-Terikat" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Jarak potong Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frekuensi pembaruan pasangan:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "jarak pemutusan elektrostatik:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Konvergensi “Energi”:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Pembuat Skrip OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Skrip pekerjaan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "skrip" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coord Masukan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Masukan Topologi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Perisai:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Model Air:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Pelarut Implisit (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referensi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Presisi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "tunggal" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "campuran" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "ganda" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indeks Perangkat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indeks Platform OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Metode nonbonded:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Toleransi Ewald:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Kendala:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Toleransi Batasan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Air kaku?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Salah" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Pemotongan tanpa ikatan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Kecepatan awal acak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Suhu Generasi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Gerak Brown" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariabelLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariabelVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Toleransi kesalahan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Tingkat tabrakan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Tekanan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Interval Barostat" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporter:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StatusData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval Laporan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Langkah-langkah Penyeimbangan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Langkah-langkah Produksi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimalkan?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maksimum langkah-langkah yang diperkecil:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opsi StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Indeks Langkah" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Waktu" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Kecepatan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Kemajuan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energi potensial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energi Kinetik" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energi Total" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Cari plugin…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Instal dari Direktori…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Hapus yang Dipilih" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Instal / Perbarui yang Dipilih" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opsi Plot PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Radius Maksimum:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Tahap (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opsi Pola XRD Teoritis" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

Perkembangan puncak di dasar (dalam derajat).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

Nilai maksimum 2theta dalam derajat.

Default: " "162,00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

Perkembangan puncak di dasar dalam derajat.

Default: 0,52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Nomor dari poin-poin:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Lebar puncak:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Panjang gelombang:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Panjang gelombang x-ray dalam Angstroms.

" "Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Jumlah titik 2theta yang akan dihasilkan.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Nilai maksimum 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Unduh yang Terpilih" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Jejari Titik Kritis:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Jejari Jejak Ikatan:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalen" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Ukuran Konstan" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Terapkan Warna" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Visualisasi Spektrum" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Faktor Skala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Sumbu X Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Sumbu X Maksimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Offset:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Sumbu Y Maksimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Sumbu Y Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Faktor Skala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Ambang Batas Puncak:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Satuan:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Pen&ilan" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Atur Warna…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spektra yang diimpor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Ukuran Font:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Lebar Garis:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Tampilkan" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Mengimpor file TSV spektrum eksperimental untuk ditumpangkan pada grafik." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Impor…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Latar Belakang:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Spektrum yang dihitung:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Spektra Mentah:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Ekspor…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Ekspor Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "T&utup" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opsi…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrol:\n" "Klik kiri dua kali: Mengembalikan batas sumbu bawaan\n" "Klik kanan + seret: Menggeser Plot\n" "Klik tengah + seret: Perbesar atau perkecil daerah\n" "Putar roda tetikus: Perbesar atau perkecil menurut kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Muat data…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kualitas: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Sangat Rendah" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Rendah" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Sedang" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Sangat Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Render" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Konfigurasi" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Membuat Permukaan" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Permukaan:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Warna dengan:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potensial Listrik Statis" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolusi:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Nilai PermukaanISO:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Pengerasan:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Terang" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Kuat" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Menghitung" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Rekam Film…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "c1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Atom-atom yang setara secara simetris:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Kunci Simetri" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operasi" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elemen simetri:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subkelompok" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subkelompok:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Toleransi:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Ketat" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Longgar" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Sangat Longgar" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Deteksi Simetri" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Pusat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Muatan Formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordinasi:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Oktahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Rencana Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Rencana Persegi Datar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Piramida Persegi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Prisma Segitiga" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Bipyramida Pentagonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Antiprisma Persegi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligand" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Dari Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Kelompok" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Kelompok:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amida" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "karboksilat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "etilena" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonat" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Mode Getaran" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitudo:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Tingkat Fermi harus diketahui sebelum mencentang kotak " "ini. Anda dapat menentukan tingkat Fermi dengan melakukan perhitungan " "densitas negara dan menampilkan data (data tersebut akan berada di bagian " "atas data). Selain itu, jika perhitungan densitas negara dilakukan, tingkat " "Fermi di sini akan secara otomatis disetel ke nilai yang terdeteksi selama " "perhitungan densitas negara.

Jika kotak ini dicentang, pastikan " "tingkat Fermi yang benar telah diatur di kotak putar di sebelah kanan.

Default: mati

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Sesuaikan energi sehingga nol adalah tingkat Fermi? " "Hanya tersedia jika kita menggambar tingkat Fermi.


Default: mati

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nol Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "Jumlah titik k yang menghubungkan titik k khusus:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Titik k khusus" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Tingkat Fermi

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Masukkan titik k khusus sebagai berikut:

L 0.5 " "0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

Artinya, " "<symbol> <x> <y> <z> di mana x, y, dan z adalah " "koordinat ruang balik fraksional. Garis akan digambar menghubungkan titik-" "titik k ini pada grafik sesuai urutan yang Anda masukkan. Perlu diperhatikan " "bahwa orientasi sel Anda dapat memengaruhi lokasi titik-titik ruang balik " "ini.

Jika grup ruang kristal telah ditentukan atau disetel, titik-" "titik k khusus akan secara otomatis diisi dengan titik-titik simetri tinggi " "sel primitif untuk grup ruang tersebut. Ada beberapa grup ruang yang " "memiliki titik simetri tinggi yang berbeda tergantung pada kisi (seperti " "jika a > b atau a < b) - hal ini diperhitungkan secara otomatis.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Masukkan jumlah titik k yang akan menghubungkan titik " "k khusus. Semakin banyak titik k ini, grafik akan semakin halus, tetapi " "perhitungan mungkin memakan waktu lebih lama.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Batasi rentang y pada grafik?

Default: mati

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Batas rentang y?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Jumlah dimensi periodik.


Jika nilai " "ini diatur ke 1, material akan bersifat periodik hanya sepanjang vektor A " "kristal.


Jika nilai ini diatur ke 2, material akan " "bersifat periodik sepanjang vektor A dan B kristal.


Jika " "nilai ini diatur ke 3, material akan bersifat periodik sepanjang vektor A, " "B, dan C kristal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Nomor dari Dimensi:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Tampilkan Input Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Muhammad Radifar,Waluyo Adi " "Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Muhammad " "Radifar,Samsul Ma'arif,Waluyo Adi Siswanto, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Muhammad Radifar,Samsul " "Ma'arif,Waluyo Adi Siswanto" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "avogadro-devel@lists.sourceforge.net,hay@samsul.web.id,arifpedia@gmail.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Opsi ‘%1’ tidak merujuk pada suatu objek." #, qt-format #~ msgid "Tab %1" #~ msgstr "Tab %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Kesalahan: Nilai harus berupa objek untuk kunci ‘%1’." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Edit Peta Opasitas Warna…" #~ msgid "ColorOpacityMap" #~ msgstr "Peta Transparansi Warna" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "Mengedit peta opasitas warna, terutama untuk rendering volume." #~ msgid "Volume Rendering" #~ msgstr "Render Volume" #~ msgid "Cube" #~ msgstr "Bilah" #~ msgid "Enable volume rendering" #~ msgstr "Aktifkan rendering volume" #~ msgid "Enable surface rendering" #~ msgstr "Aktifkan rendering permukaan" #~ msgid "Isovalue" #~ msgstr "Nilai isovalue" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Kesalahan saat mengambil metadata untuk skrip energi: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Kesalahan dalam memproses metadata untuk skrip energi: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Kesalahan saat memproses metadata untuk skrip energi: %1\n" #~ "Hasil bukan objek JSON.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Tidak dapat memuat skrip %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Memeriksa skrip %1 di jalur %2" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 kJ/mol" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Sudut:" #~ msgid " °" #~ msgstr " °" #~ msgid "Hartree" #~ msgstr "Hartree" #~ msgid "eV" #~ msgstr "eV" #~ msgid "kcal/mol" #~ msgstr "kkal/mol" #~ msgid "kJ/mol" #~ msgstr "kJ/mol" #, qt-format #~ msgctxt "argument is program name" #~ msgid "Installing dependencies with %1…" #~ msgstr "Menginstal dependensi dengan %1…" #~ msgid "Cancel" #~ msgstr "Batalkan" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kkal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(sedang diproses)" #~ msgid "unknown molecule" #~ msgstr "molekul yang tidak diketahui" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Overlay Sumbu Acuan" #~ msgid "Meshes" #~ msgstr "Jaring" #~ msgid "Plot RMSD curve…" #~ msgstr "Gambarkan kurva RMSD…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generate dan plot kurva RMSD." #~ msgid "Max 2*theta:" #~ msgstr "maksimum 2*teta:" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Jendela untuk menampilkan properti atom, ikatan, angle dan torsi." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analitik" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Impor..." #~ msgid "Set Color..." #~ msgstr "Atur Warna..." #~ msgid "&Export..." #~ msgstr "&Ekspor..." #~ msgid "&Load data..." #~ msgstr "&Muat data..." #, fuzzy #~| msgid " eV" #~ msgid "eV)" #~ msgstr " eV" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Muatan parsial" #~ msgid "Animation Tool" #~ msgstr "Alat Animasi" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometri" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Tambahkan &Unit Sel" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indeks Atom" #, fuzzy #~ msgid "By Distance" #~ msgstr "Jarak" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indeks Atom" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Salin" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nama Molekul IUPAC:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Berat Molekul (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Rumus Kimia:" #~ msgid "Number of Atoms:" #~ msgstr "Nomor dari Atom:" #~ msgid "Number of Bonds:" #~ msgstr "Nomor dari Ikatan:" #~ msgid "TODO" #~ msgstr "Perlu Dikerjakan" #, fuzzy #~ msgid "Line Size:" #~ msgstr "luas terpuncak:" #, fuzzy #~ msgid "In." #~ msgstr "Dalam:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmen..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "DFT Fungsional:" #~ msgid "Other..." #~ msgstr "Lainnya..." #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, fuzzy #~ msgid "Filename" #~ msgstr "Nama berkas:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktur:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigasi" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigasi" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "Kunci API:" #~ msgid "Config" #~ msgstr "Konfigurasi" #~ msgid "Upload" #~ msgstr "Unggah" #~ msgid "Singularity" #~ msgstr "Singularitas" #~ msgid "Container:" #~ msgstr "Kontainer:" #~ msgid "Image:" #~ msgstr "Gambar:" #~ msgid "Input Parameters:" #~ msgstr "Parameter Masukan:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nama Unsur" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Semua berkas" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekul" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Tidak ada atur molekul" #~ msgid "Z Å)" #~ msgstr "Z Å)" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: File ada dan tidak bisa ditulis." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristal" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Tambah Hidrogen untuk pH..." #~ msgid "Atom Properties..." #~ msgstr "Properti Atom..." #~ msgid "Bond Properties..." #~ msgstr "Properti Ikatan..." #~ msgid "Angle Properties..." #~ msgstr "Properti Sudut..." #~ msgid "Torsion Properties..." #~ msgstr "Properti Torsi..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Properti Molekul..." #~ msgid "Create Surfaces..." #~ msgstr "Membuat Permukaan..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetri" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "Sisipkan Fragmen..." #~ msgid "Theory:" #~ msgstr "Teori:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Jarak (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Dapat diputar" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Panjang %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Sudut %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Sudut %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Torsi %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsi %1" #~ msgid "Torsion" #~ msgstr "Torsi" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energi (kJ/mol):" #~ msgid "Yes" #~ msgstr "Ya" #~ msgid "No" #~ msgstr "Tidak" #, fuzzy #~ msgid "Import" #~ msgstr "Impor" #~ msgid "Insert SMILES" #~ msgstr "Sisipkan SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Sisipkan SMILES fragmen:" #~ msgid "Insert Crystal" #~ msgstr "Masukkan Kristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Sisipkan fragmen molekul untuk membuat molekul yang lebih besar" #~ msgid "E&xtensions" #~ msgstr "E&kstensi" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimisasi Geometri" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimisasi Geometri" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Tambah Hidrogen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Berhenti" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Bidang Permukaan" #~ msgid "Color by Index" #~ msgstr "Warna berdasarkan Indeks" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Warna berdasarkan Indeks (merah, oranye, kuning, hijau, biru, ungu)." #~ msgid "Color by Partial Charge" #~ msgstr "Warna berdasarkan Muatan Parsial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Warna berdasarkan muatan parsial (biru = positif, merah = negatif)" #~ msgid "Custom Color:" #~ msgstr "Warna Atur Sendiri:" #~ msgid "Set custom colors for objects" #~ msgstr "Atur warna untuk obyek" #~ msgid "Color by Distance" #~ msgstr "Warna berdasarkan jarak" #~ msgid "Color by distance from the first atom." #~ msgstr "Warna berdasarkan jarak dari atom pertama" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Warna berdasarkan Unsur (karbon = kelabu, oksigen = merah, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Warna berdasarkan Residu (tipe asam amino, hidrofobisitas, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Pola SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Warna Sorot:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Warna Berdasarkan Pola SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Sorot fitur tertentu yang sesuai dengan pola SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Engines" #~ msgstr "Mesin" #~ msgid "Axes" #~ msgstr "Sumbu" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Menggambarkan sumbu x, y, dan z di titik pusat" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Menggambarkan bentuk dasar menggunakan Bola (atom) dan Batang (ikatan)" #~ msgid "Hydrogen Bond" #~ msgstr "Ikatan Hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Menggambarkan ikatan hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Pilih Warna Label Atom" #~ msgid "Select Bond Labels Color" #~ msgstr "Pilih Warna Label Ikatan" #~ msgid "Select Bond Labels Font" #~ msgstr "Pilih Warna Label Ikatan" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "" #~ "Menggambarkan atom sebagai bentuk tetrahedral, oktahedral, dan bentuk " #~ "poligon" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Menggambar struktur utama protein dengan pita" #~ msgid "Ring" #~ msgstr "Cincin" #~ msgid "Renders rings with colored planes" #~ msgstr "Menggambar cincin dengan bidang berwarna" #~ msgid "Simple Wireframe" #~ msgstr "Wireframe sederhana" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Menggambar ikatan dengan jaring (garis), sesuai untuk melekul besar" #~ msgid "Van der Waals Spheres" #~ msgstr "Bola Van der Waals" #~ msgid "Stick" #~ msgstr "Batang" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Kepadatan elektron, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, PermukaanIso = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Membuat gambar ikatan dengan jaringan (garis), sesuai untuk (bio)molekul " #~ "yang sangat besar" #~ msgid "Trajectory files" #~ msgstr "Berkas trayektori" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Berkas DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Berkas Trayektori Terbuka" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Menambah ekstensi .avi" #~ msgid "Animation..." #~ msgstr "Animasi..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Tidak bisa membaca format dari berkas %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Gagal membaca berkas trayektori %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Perlu menyatakan nama berkas .avi yang sahih." #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Alat GL tidak di inisiasi dengan benar untuk menyimpan video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nama berkas video tidak sahih. Perlu menyertakan direktori berkas secara " #~ "lengkap" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nama berkas video tidak sahih. Perlu menyertakan direktori berkas secara " #~ "lengkap, diakhiri dengan .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Tidak bisa mengenali format dari berkas: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animasi trayektori, reaksi dan getaran." #~ msgid "Cartesian Editor" #~ msgstr "Penyunting Cartesian" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Unit sel belum didefinisakan untuk molekul -- tidak bisa menggunakan " #~ "koordinat molekul." #~ msgid "Cartesian Editor..." #~ msgstr "Pneyunting Kartesian..." #~ msgid "Cartesian editor" #~ msgstr "Penyunting Cartesian" #~ msgid "Number of atoms: %1" #~ msgstr "Jumlah atom: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Jumlah ikatan yang bisa diputar: %1" #~ msgid "Add constraint" #~ msgstr "Tambahkan kendala" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Untuk menambah kendala, molekul anda harus terdiri dari paling tidak satu " #~ "atom" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Untuk menambah satu kendala ikatan, molekul anda harus mempunyai paling " #~ "sedikit dua atom" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Untuk menambah satu kendala sudut, molekul anda harus mempunyai paling " #~ "sedikit tiga atom" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Untuk menambah satu kendala torsi, molekul anda harus mempunyai paling " #~ "sedikit empat atom" #~ msgid "&Crystallography" #~ msgstr "Kristalografi" #~ msgid "&Reduce" #~ msgstr "Sederhanakan" #~ msgid "&Length Unit" #~ msgstr "Satuan Panjang" #~ msgid "&Angle Unit" #~ msgstr "Satuan Sudut" #~ msgid "Coordinate &Preservation" #~ msgstr "Pilihan koordinat" #~ msgid "&Matrix Display" #~ msgstr "Tampilan Matriks" #~ msgid "Hide &Editors" #~ msgstr "Sembunyikan &Editors" #~ msgid "Show &Editors" #~ msgstr "Perlihatkan &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Sembunyikan Tampilan &Property" #~ msgid "Show &Property Display" #~ msgstr "Perlihatkan Tampilan &Property" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipe Kisi: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Kelompokruang: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume sel unit: %L1%2" #~ msgid "Undefined" #~ msgstr "Tak-terdefinisi" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklin" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklin" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombik" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Heksagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubik" #~ msgid "Paste Crystal" #~ msgstr "Tempelkan Kristal" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gagal mereduksi jumlah sel setelah 1000 kali pengulangan algoritma " #~ "reduksi. Proses diberhentikan." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Putar ke Orientasi Standar" #~ msgid "&Slab..." #~ msgstr "$Slab...." #~ msgid "Set &Spacegroup..." #~ msgstr "Atur Grup ruang" #~ msgid "&Fill Unit Cell" #~ msgstr "isi satuan sel" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Isi satuan sel dengan grup ruang yang sekarang" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Kurangi ke ukuran &Asimetrik" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Pindahkan atom dalam posisi yang sama (berlawanan dengan Fill Unit Cell)" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Kristal Simetri" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Sederhanakan Sel (&Primitif)" #~ msgid "&Bohr" #~ msgstr "Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Pikometer" #~ msgid "&Degree" #~ msgstr "&Derajat" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Tampilkan koordinat kartesian" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Tetap Menggunakan Koordinat Kartesian Ketika Modifikasi Sel" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Tetap Menggunakan Koordinat Fraksional Ketika Modifikasi Sel" #~ msgid "Display &cartesian matrix" #~ msgstr "Menampilkan matriks kartesian" #~ msgid "Display &fractional matrix" #~ msgstr "Menampilkan matriks fraksional" #~ msgid "Display as &column vectors" #~ msgstr "Menampilkan kolom vektor" #~ msgid "&Crystal View Options..." #~ msgstr "Pilihan melihat &Kristal..." #~ msgid "Set Spacegroup" #~ msgstr "Atur grup ruang" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Tidak ada ruangkelompok yang diatur untuk dokumen ini.\n" #~ "\n" #~ "Apakah Anda ingin mengatur sebuah ruang kelompok sekarang?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Ruang kelompok P1 terdeteksi -- tidak dapat mensimetriskan ke ruang " #~ "kelompok ini.\n" #~ "\n" #~ "Apakah Anda ingin mencoba lagi dengan toleransi berbeda?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Masukkan Atom-atom Kedalam Sel" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Sederhanakan ke Sel Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Pilih toleransi di satuan kartesian yang dipakai:" #~ msgid "Crystallography" #~ msgstr "Kristalografi" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Menyusun and menganalisis struktur periodik." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Masukan tidak mengikuti salah satu dari\n" #~ "format yang didukung berikut:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Format VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Komposisi Salah" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Field teridentifikasi harus berisi nomor yang sama dari pemisah ruang " #~ "entri seperti baris 6 dari POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Koordinat Kartesian" #~ msgid "Fractional Coordinates" #~ msgstr "Koordinat Fraksional" #~ msgid "Set Fractional Coordinates" #~ msgstr "Atur Koordinat Fraksional" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matriks Sel (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Atur Matriks Satuan Sel" #~ msgid "Set Unit Cell Params" #~ msgstr "Atur Param Satuan Sel" #~ msgid "Working..." #~ msgstr "Bekerja..." #~ msgid "Build" #~ msgstr "Bangun" #~ msgid "Cut Slab From Crystal" #~ msgstr "Potong Slab dari Kristal" #~ msgid "No GLWidget?" #~ msgstr "Tanpa GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Silahkan pilih satu atau beberapa atom." #~ msgid "Trajectory..." #~ msgstr "Trajektori..." #~ msgid "Open chemical file format" #~ msgstr "Buka format berkas kimia" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Berkas kimia (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Buka berkas parameter" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Berkas kimia (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Impor Trayektori" #~ msgid "Import trajectory files" #~ msgstr "Impor berkas trayektori" #~ msgid "Calculate Energy" #~ msgstr "Menghitung Energi" #~ msgid "Conformer Search..." #~ msgstr "Pencarian Conformer..." #~ msgid "Constraints..." #~ msgstr "Kendala..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Tidak bisa menetapkan gaya bidang yang sekarang untuk molekul ini. " #~ "Dipindahkan ke UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimisasi Geometrik" #~ msgid "Systematic Rotor Search" #~ msgstr "Pencarian Rotor Sistimatik" #~ msgid "Random Rotor Search" #~ msgstr "Pnecarian Rotor Acak" #~ msgid "Weighted Rotor Search" #~ msgstr "Pencarian Rotor Terbeban" #~ msgid "ForceField" #~ msgstr "BidangGaya" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimalkan molekul dan membentuk conformer menggunakan mekanika molekular " #~ "bidang gaya" #~ msgid "&Vector Graphics..." #~ msgstr "&Vektor Grafik ..." #~ msgid "Common vector image formats" #~ msgstr "Format gambar vektor yang umum" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Ekspor Vector Graphics" #~ msgid "Change H to Methyl" #~ msgstr "Meruba H ke Metil" #~ msgid "H to Methyl" #~ msgstr "H ke Metil" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformasi hidrogen ke grup metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Tambah atau hapus hidrogen" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Masukkan rantai DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Sisipkan urutan oligopeptide" #~ msgid "Invert Chirality" #~ msgstr "Inverskan Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Balik sumbu chiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "tak dikenal" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Perkiraan Momen Dipol (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Tampilkan properti molekul standar" #~ msgid "Fetch by chemical name..." #~ msgstr "Ambil menurut nama kimia......" #~ msgid "Fetch from URL..." #~ msgstr "Mengambil dari URL..." #~ msgid "PDB Entry" #~ msgstr "Entri PDB" #~ msgid "PDB entry to download." #~ msgstr "Entri PDB untuk muaturun." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekul untuk muaturun." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Molekul yang dikehendaki tidak bisa dimuat: %1" #~ msgid "Network Fetch" #~ msgstr "Pengambilan dari Jaringan" #~ msgid "Fetch molecule files over the network." #~ msgstr "Mengambil berkas molekul dari jaringan." #~ msgid "Show Preview" #~ msgstr "Mengeluarkan Pratampilan" #~ msgid "Hide Preview" #~ msgstr "Menyembunyikan Pratampilan" #~ msgid "Intensities" #~ msgstr "Intensitas" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Menyimpan gambar hasil POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Berkas gambar (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nama berkas yang diberikan tidak sahih." #~ msgid "Does not compute." #~ msgstr "Tidak melakukan perhitungan" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Anda meminta tidak menggambar langsung menggunakan POV-Ray dan tidak " #~ "menyimpan berkas POV-Ray. Keluaran yang dihasilkan tidak akan disimpan. " #~ "Apakah ini anda inginkan?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Tidak bisa menulis ke berkas %1. Apakah anda mempunyai hak menulis ke " #~ "lokasi tersebut?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray gagal dijalankan." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray gagal dijalankan. Kemungkinan karena lokasi berkas yang " #~ "dijalankan tidak tepat." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Membuat berkas POV-Ray dan memunculkan gambar hasil menggunakan perintah " #~ "baris program POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Properti Conformer..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interaktif untuk skrip python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Peringatan Pembuat Dek Masukan Abinit" #~ msgid "Abinit_Input_Deck" #~ msgstr "Dek_Masukan_Abinit" #~ msgid "Abinit Running." #~ msgstr "Menjalankan Abinit." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit sedang berjalan. Mohon ditunggu sampai perhitungan sebelumnya " #~ "selesai." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Belum Terpasang." #~ msgid "The abinit executable cannot be found." #~ msgstr "Berkas menjalankan Abinit tidak ditemukan." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit tidak bisa dijalankan. Mungkin tidak dipasang dengan benar." #~ msgid "Running Abinit calculation..." #~ msgstr "Perhitungan Abinit sedang berjalan..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit tidak berjalan dengan benar. Mungkin tidak dipasang dengan benar." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Peringatan Pembuat Berkas Masukan Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Apakah anda ingin memperbarui pratampilan teks, dan menghilangkan semua " #~ "perubahan pada pratampilan berkas masukan Dalton" #~ msgid "QM Matches" #~ msgstr "QM Sesuai" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Pemilihan EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Pemilihan QM..." #~ msgid "You must make a selection!" #~ msgstr "Anda harus memilih salah satu!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Konversi SMILES tidak tersedia" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Konversi Format SMILES Tidak Tersedia!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Membuat berkas masukan untuk program kimia kuantum GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Pengaturan Lanjut Berubah" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Pengaturan lanjut sudah dipilih.\n" #~ "Dibatalkan?" #~ msgid "Advanced Settings Reset" #~ msgstr "Tata Ulang Pengaturan Lanjut" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda yakin ingin menata ulang pengaturan lanjut?\n" #~ "Semua perubahan akan terhapus!" #~ msgid "Basic Settings Reset" #~ msgstr "Tata Ulang Pengaturan Dasar" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda yakin ingin menata ulang pengaturan dasar?\n" #~ "Semua perubahan akan terhapus!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Peringatan pembuat berkas masukan GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Apakah akan memperbarui teks pratampilan, dengan konsekuensi perubahan di " #~ "jendela pratampilan berkas masukan GAMESS-UK akan hilang?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Berkas masukan GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Pembuat Peringatan Masukan Program Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Masukan Program Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Sedang Berjalan." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian sedang berjalan. Tunggu sampai perhitungan sebelumnya selesai." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Tidak Di Instal." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 yang bisa dijalankan, tidak ditemukan." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "G03 tidak bisa dijalankan. Mungkin tidak bisa di instal dengan benar." #~ msgid "Running Gaussian calculation..." #~ msgstr "Menjalankan perhitungan Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 Gagal." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian tidak bisa dijalankan dengan semestinya. Mungkin tidak di instal " #~ "dengan benar." #~ msgid "&Abinit..." #~ msgstr "Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Peringatan Pembuat Berkas Masukan Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Apakah anda akan memperbarui tampilan teks, semua perubahan yang ada " #~ "dalam berkas masukan Molpro pada jendela pratampilan akan hilang?" #~ msgid "Molpro Input Deck" #~ msgstr "Berkas Masukan Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Peringatan Masukan MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Berkas Masukan MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC sedang berjalan." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC sedang berjalan. Tunggu sampai perhitungan sebelumnya selesai." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Belum di instal." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Berkas program MOPAC yang bisa dijalankan tidak ditemukan." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC gagal dijalankan." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC tidak bisa dijalankan. Kemungkinan tidak di instal dengan benar." #~ msgid "Running MOPAC calculation..." #~ msgstr "Perhitungan MOPAC sedang berlangsung..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Bertabrakan." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC tidak berjalan dengan benar. Kemungkingan tidak di instal dengan " #~ "benar." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Pembuat Peringatan Masukan Program NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Apakah anda akan memperbarui teks pratampilan, semua perubahan pada " #~ "masukan progam NWChem di jendela pratampilan akan terhapus?" #~ msgid "NWChem Input Deck" #~ msgstr "Berkas Masukan NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Pembuat Peringatan Masukan Program Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Apakah anda akan memperbarui teks pratampilan, semua perubahan pada " #~ "masukan progam Q-Chem di jendela pratampilan akan terhapus?" #~ msgid "QChem Input Deck" #~ msgstr "Berkas Masukan QChem" #~ msgid "Select SMARTS..." #~ msgstr "Pemilihan SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Tambah Pilihan Yang Dinamai..." #~ msgid "SMARTS Selection" #~ msgstr "Pilihan SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Memilih pola SMARTS" #~ msgid "There is no current selection." #~ msgstr "Sekarang belum ada pilihan" #~ msgid "Add Named Selection" #~ msgstr "Tambah Pilihan Yang Dinamai" #~ msgid "Name cannot be empty." #~ msgstr "Nama tidak boleh kosong." #~ msgid "There is already a selection with this name." #~ msgstr "Sudah ada pilihan dengan nama ini" #~ msgid "Selections" #~ msgstr "Pilihan" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Pilih atom, ikatan, residu..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shader..." #~ msgid "Open a vertex shader source file" #~ msgstr "Buka berkas sumber vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Berkas vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Buka berkas sumber fragmen shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Berkas fragmen shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Buka berkas parameter shader" #~ msgid "Shader parameters files (*.params)" #~ msgstr "berkas parameter shader (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shader" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Memuat dan menggunakan OpenGL 2.0 GLSL shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitas (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Kemampatan States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Kemampatan States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Kemampatan States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitansi (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbansi (%)" #~ msgid "No intensities" #~ msgstr "Tanpa intensitas" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Data getaran di molekul yang anda tambahkan tidak mempunyai data " #~ "intensitas. Sembarang angka diberikan sebagai intensitas untuk tujuan " #~ "penggambaran." #~ msgid "Activity" #~ msgstr "Aktivitas" #~ msgid "X Axis" #~ msgstr "Sumbu X" #~ msgid "Y Axis" #~ msgstr "Sumbu Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Pengaturak Spektra &Inframerah" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Pengaturan Spektra &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Pengaturan &UV" #~ msgid "&CD Settings" #~ msgstr "Pengaturan &CD" #~ msgid "&Raman Settings" #~ msgstr "Pengaturran &Raman" #~ msgid "No data" #~ msgstr "Tidak ada data" #~ msgid "Dark" #~ msgstr "Gelap" #~ msgid "Publication" #~ msgstr "Publikasi" #~ msgid "Handdrawn" #~ msgstr "Gambaran tangan" #~ msgid "New Scheme" #~ msgstr "Skema Baru" #~ msgid "Confirm Scheme Removal" #~ msgstr "Konfirmasi Menghapus Skema" #~ msgid "Really remove current scheme?" #~ msgstr "Apakah akam menghapus skema yang ada?" #~ msgid "Change Scheme Name" #~ msgstr "Merubah Nama Skema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Tuliskan nama baru untuk sekema yang sekarang" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Angka Dipisahkan Tab (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Angka Dipisahkan Tab" #~ msgid "Comma Separated Values" #~ msgstr "Angka Dispisahkan Koma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Impor Spektra" #~ msgid "Unknown extension: %1" #~ msgstr "Ekstensi tidak dikenal: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Data Turbomole IR (kontrol)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Data Turbomole UV (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Data Turbomole CD (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Format Data" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Memuat Data Spektral" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Berkas Turbomole CD tidak diformat dengan benar : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Simpan Gambar Spektral" #~ msgid "&Advanced <<" #~ msgstr "&Lanjut <<" #~ msgid "&Advanced >>" #~ msgstr "&Lanjut >>" #~ msgid "&Spectra..." #~ msgstr "&Spektra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Memvisualisasikan data spektral dari perhitungan kimia kuantum" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analisis Getaran" #~ msgid "No vibrational displacements exist." #~ msgstr "Tidak ada simpangan getaran" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Menggambarkan pola getaran dari perhitungan kimia kuantum" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Mengurutkan getaran %1 berdasarkan frekuensi..." #~ msgid "Super Cell Builder..." #~ msgstr "Pembangun Super Sel..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dokumen ini merupakan molekul yang di isolasi saat ini. Anda perlu " #~ "membuat satu sel." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Membangun dan menampilkan kristalografi super sel" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbit molekuler..." #~ msgid "Orbitals" #~ msgstr "Orbit" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Kosong" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Kepadatan Elektron" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Salah - tipe tidak terdefinisi" #~ msgid "Calculating VdW Cube" #~ msgstr "Menghitung kubus VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Menghitung MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Menghitung orbit melekul dan bidang lainnya" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "Alat GL tidak di inisiasi dengan benar untuk membuat filem" #~ msgid "GL widget has no molecule" #~ msgstr "Alat GL tidak memiliki molekul" #~ msgid "Building video " #~ msgstr "Membuat gambar filem " #~ msgid "Could not run mencoder." #~ msgstr "Tidak dapat menjalankan mencoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Atur Aspek Rasio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Pengaturan sekarang untuk layar adalah %1x%2 piksel, dan mempunyai aspek " #~ "rasio %3.\n" #~ "Anda dapat memakai ukuran ini, apabila anda ingin menggunakan misalnya " #~ "POV-Ray\n" #~ "untuk mendapatkan gambar of %4x1000 piksel, atau anda bisa mengganti " #~ "dengan ukuran lain,\n" #~ "apabila anda ingin menggunakan POV-Ray untuk membuat gambar, seperti " #~ "ukuran 1000x1000 piksel." #~ msgid "Connect" #~ msgstr "Sambung" #~ msgid "Disconnect" #~ msgstr "Putus Sambungan" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion menggunakan Wii remote" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Konteks OpenGL ada kesalahan.\n" #~ "Kemungkingan ada kesalahan dalam pengaturan OpenGL (apakah anda bisa " #~ "menjalankan aplikasi OpenGL lainnya?), atau mungkin anda menemukan kutu." #~ msgid "Debug Information" #~ msgstr "Informasi Awakutu" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Ukuran Tampilan: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atom: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Tipe berkas '%1' tidak mempunyai dukungan untuk dibaca." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "" #~ "Tipe berkas pada berkas '%1' tidak mempunyai dukungan untuk dibaca." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Gagal membaca molekul dengan indeks %1 dari berkas '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "mengganti Molekul: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Tipe berkas '%1' tidak mempunyai dukungan untuk ditulis." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "" #~ "Tipe berkas pada berkas '%1' tidak mempunyai dukungan untuk ditulis." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Tidak bisa membuka berkas '%1' untuk dibaca." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Gagal mengganti molekul dengan indeks %1 pada berkas '%2'" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Berkas %1 tidak bisa dibuka untuk dibaca." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Berkas %1 tidak bisa dibuka untuk ditulis." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Gagal menyimpan berkas molekul - tidak bisa menamai ulang." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Gagal menyimpan berkas molekul - tidak bisa memberikan nama baru." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Gagal menyimpan berkas molekul - tidak bisa menghapus nama berkas lama." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Gagal menulis molekul ke berkas'%1'. Fungsi OpenBabel gagal." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Berkas %1 tidak bisa dibuka untuk ditulis." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Gagal menulis conformer ke berkas '%1'." #~ msgid "Molecule %1" #~ msgstr "Molekul %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Enjin Python Tidak Dikenal" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: memeriksa " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - skrip belum mendefinisikan 'Enjin' class" #~ msgid " - no module" #~ msgstr " - tidak ada modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ekstensi Python Tidak Dikenal" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: pengecekan " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - skrip belum mendefiniskan 'Ekstensi' class" #~ msgid "Unknown Python Tool" #~ msgstr "Alat Python Tidak Dikenal" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: pengecekan " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - skrip tidak mempunyai definisi 'Tool' class" #~ msgid "Tools" #~ msgstr "Alat-alat" #~ msgid "Align:" #~ msgstr "Pelurusan:" #~ msgid "Everything" #~ msgstr "Semuanya" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Tidak bisa mengatur bidang gaya...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Jumlah Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Jumlah Langkah setiap Pembaruan:" #~ msgid "Algorithm:" #~ msgstr "Algoritma:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamika Molekuler (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamika Molekuler (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Atom-atom tetap dapat dipindahkan" #~ msgid "Ignored atoms are movable" #~ msgstr "Atom-atom yang lain dapat dipindahkan" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molekul" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimisasi otomatis untuk geometri molekul" #~ msgid "AutoOptimization Settings" #~ msgstr "Pengaturan OptimisasiOtomatis" #~ msgid "Auto Rotation Tool" #~ msgstr "Bantuan Putaran Otomatis" #~ msgid "x rotation:" #~ msgstr "rotasi x:" #~ msgid "x rotation" #~ msgstr "rotasi x" #~ msgid "y rotation:" #~ msgstr "rotasi y:" #~ msgid "y rotation" #~ msgstr "rotasi y" #~ msgid "z rotation:" #~ msgstr "rotasi z:" #~ msgid "z rotation" #~ msgstr "rotasi z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Putaran otomatis molekul" #~ msgid "AutoRotate Settings" #~ msgstr "Pengaturan PutaranOtomatis" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Panjang Ikatan: %L1" #~ msgid " Show Angles" #~ msgstr " Tampilkan Sudut" #~ msgid "Snap-to Threshold: " #~ msgstr "Kancingkan ke Batas: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Memanipulasi Ikatan Sentrik" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulasi panjang ikatan, sudut dan torsi" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Pengaturan Manipulasi Ikatan Sentrik" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Jarak (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Jarak (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Sudut Dihedral: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Jarak:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Pengukuran panajng ikatan, sudut, dan dihedral" #~ msgid "Draw Bond" #~ msgstr "Menggambar Ikatan" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Menggambar dan menyunting atom serta ikatan" #~ msgid "Draw Settings" #~ msgstr "Pengaturan Menggambar" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Menggeser, memutar dan mengatur atom serta fragmen" #~ msgid "Manipulate Settings" #~ msgstr "Pengaturan Manipulasi" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Menggeser, memutar dan mengatur besar kecil tampilan" #~ msgid "Navigate Settings" #~ msgstr "Pengaturan Navigasi" #~ msgid "Selection Mode:" #~ msgstr "Mode Pemilihan:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Ikatan" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Add Center of Atoms" #~ msgstr "Tambahkan Pusat dari Atom-atom" #~ msgid "Change color of the atom" #~ msgstr "Ubah warna atom" #~ msgid "Change label of the atom" #~ msgstr "Ubah label atom" #~ msgid "Change label of the bond" #~ msgstr "Ubah label ikatan" #~ msgid "Change radius of the atom" #~ msgstr "Ubah jejari atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Jejari Baru, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Pemilihan atom, residu dan molekul" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Panjang Ikatan" #~ msgid "Dihedral Angle" #~ msgstr "Sudut Dihedral" #~ msgid "Z Matrix Editor..." #~ msgstr "Penyunting Matriks Z" #~ msgid "Z-Matrix" #~ msgstr "Matriks-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Membuat/menyunting matriks-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Pengaturan Matriks-Z" #~ msgid "Color residues by:" #~ msgstr "Warna Residu berdasarkan:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobisitas" #~ msgid "Axes:" #~ msgstr "Poros:" #~ msgid "Cartesian Axes" #~ msgstr "Sumbu Cartesian" #~ msgid "Orthogonal Axes" #~ msgstr "Sumbu orthogonal" #~ msgid "Axis 1:" #~ msgstr "Sumbu 1:" #~ msgid "Axis 2:" #~ msgstr "Sumbu 2:" #~ msgid "Axis 3:" #~ msgstr "Sumbu 3:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Tetap mempertahankan vektor normal" #~ msgid "Atom Radius:" #~ msgstr "Jejari Atom:" #~ msgid "Bond Radius:" #~ msgstr "Jejari Ikatan:" #~ msgid "Shape" #~ msgstr "Bentuk" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Duakutub:" #~ msgid "Custom Vector" #~ msgstr "Vektor Aturan Sendiri" #~ msgid "Custom:" #~ msgstr "Penyesuaian:" #~ msgid "Width:" #~ msgstr "Lebar:" #~ msgid "Cut-off radius:" #~ msgstr "Jejari potong:" #~ msgid "Cut-off angle:" #~ msgstr "Sudut potong:" #~ msgid "Rendering Engine:" #~ msgstr "Mesin Pewarnaan:" #~ msgid "TextRenderer" #~ msgstr "PengaturanWarnaTeks" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Teks:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbol & Nomor dalam Grup" #~ msgid "Symbol & Atom number" #~ msgstr "Simbol & nomor Atom" #~ msgid "Residue number" #~ msgstr "Nomor residu" #~ msgid "Custom data" #~ msgstr "Data sendiri" #~ msgid "Change Font" #~ msgstr "Ganti Huruf" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Panjang Ikatan" #~ msgid "Bond number" #~ msgstr "Nomor Ikatan" #~ msgid "Bond order" #~ msgstr "Orde Ikatan" #~ msgid "Radius:" #~ msgstr "Jejari:" #~ msgid "Include Nitrogens" #~ msgstr "Termasuk Nitrogen" #~ msgid "VdW Opacity:" #~ msgstr "Opasitas VdW:" #~ msgid "Orbital:" #~ msgstr "Orbit:" #~ msgid "Render:" #~ msgstr "Menggambar:" #~ msgid "Fill" #~ msgstr "Berisi" #~ msgid "Points" #~ msgstr "Titik-titik" #~ msgid "Draw Box:" #~ msgstr "Menggambar Kotak:" #~ msgid "Mapped Colors" #~ msgstr "Peta Warna" #~ msgid "Positive" #~ msgstr "Positif" #~ msgid "Negative" #~ msgstr "Negatif" #~ msgid "Show Atoms" #~ msgstr "Perlihatkan Atom" #~ msgid "Animate Trajectory" #~ msgstr "Animasi Trayektori" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Perulangan" #~ msgid "Save as .avi..." #~ msgstr "Simpan sebagai .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Pecahan" #~ msgid "XYZ, coords only" #~ msgstr "Hanya koord XYZ" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Masukan #2" #~ msgid "Priroda Input" #~ msgstr "Masukan Priroda" #~ msgid "Apply Changes" #~ msgstr "Terapkan Perubahan" #~ msgid "Cut All" #~ msgstr "Potong Semuanya" #~ msgid "Paste to the End" #~ msgstr "Tempelkan ke Akhir" #~ msgid "(None)" #~ msgstr "(Tiada)" #~ msgid "Sort by " #~ msgstr "Urutkan menurut " #~ msgid "Number of atoms:" #~ msgstr "Jumlah atom:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Jumlah ikatan yang bisa diputar:" #~ msgid "Ignore Atom" #~ msgstr "Tidak Hiraukan Atom" #~ msgid "Fix Atom" #~ msgstr "Atom tetap" #~ msgid "Fix Atom X" #~ msgstr "Atom Tetap X" #~ msgid "Fix Atom Y" #~ msgstr "Atom Tetap Y" #~ msgid "Fix Atom Z" #~ msgstr "Atom Tetap Z" #~ msgid "Torsion angle" #~ msgstr "Sudut Torsi" #~ msgid "Save" #~ msgstr "Simpan" #~ msgid "Load" #~ msgstr "Muat" #~ msgid "Atomic &identites:" #~ msgstr "Identitas atom:" #~ msgid "by arbitrary vector" #~ msgstr "mengikuti vektor bebas" #~ msgid "Translation vector:" #~ msgstr "Vektor translasi:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Satuan vektor:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "Geser" #~ msgid "All" #~ msgstr "Semua" #~ msgid "File Import..." #~ msgstr "Impor Berkas..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Berusaha melihat ikatan?" #~ msgid "Setup Force Field" #~ msgstr "Pengaturan Bidang Gaya" #~ msgid "Ghemical" #~ msgstr "Kimia" #~ msgid "Number of steps" #~ msgstr "Jumlah Langkah" #~ msgid "Algorithm" #~ msgstr "Algoritma" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Lembar Beta" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Nomor dari Residu:" #~ msgid "Dipole Moment (D):" #~ msgstr "Momen Dipol (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Lanjut" #~ msgid "Control" #~ msgstr "Kontrol" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "POV-Ray Export" #~ msgstr "Ekspor POV-Ray" #~ msgid "Select..." #~ msgstr "Pilih..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Menggunakan antialiasing penuh" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Ubah warna latar dengan transparan" #~ msgid "Alpha transparency" #~ msgstr "Transparansi Alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Menggambar molekul secara langsung menggunakan perintah baris POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Simpan perintah POV-Ray setelah penggambaran selesai" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Simpan perintah POV-Ray setelah penggambaran" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Masukan Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Disederhanakan" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Toleransi untuk gaya(Ha/bohr):" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Jumlah pita:" #~ msgid "# k-point shifts:" #~ msgstr "# geseran titik-k:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Maximum Force" #~ msgstr "Gaya Maksimum" #~ msgid "Relative Force" #~ msgstr "Gaya Relatif" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Lebar Smearing (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - ion tidak bergerak " #~ msgid "1 - viscous damping" #~ msgstr "1 - redaman viscous" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS dengan energi" #~ msgid "# Geometrical time steps:" #~ msgstr "# Jangkah waktu Geometri:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Menghitung..." #~ msgid "Basics" #~ msgstr "Dasar" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Memambahkan apa yang anda tulis pada baris judul di berkas masukan untuk " #~ "tujuan\n" #~ "memberikan informasi tambahan." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarisasi Jensen konsisten" #~ msgid "Dunning's correlation consistent" #~ msgstr "Korelasi Dunning konsisten" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Fungsi korelasi utama" #~ msgid "Diffuse functions" #~ msgstr "Fungsi difusi" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Langsung" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Jalankan secara paralel jika memungkinkan. Hanya mungkin untuk SCF\n" #~ "fungsi gelombang dan perhitungan DFT. Dalton hanya mendukung MPI\n" #~ "untuk rilis yang sekarang dan perlu di kompail dan di instal\n" #~ "dengan benar. Jumlah nodal diatur dengan pilihan \"-N #\" ketika " #~ "menjalankan skrip \"dalton\"." #~ msgid "Parallel" #~ msgstr "Paralel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Spesifikasi Grid" #~ msgid "Partitioning Scheme:" #~ msgstr "Skema Partisi:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (asli)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kualitas Grid:" #~ msgid "coarse" #~ msgstr "kasar" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "halus" #~ msgid "ultrafine" #~ msgstr "sangat halus" #~ msgid "Radial Scheme:" #~ msgstr "Skema Radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Tampilkan semua fungsional" #~ msgid "Property:" #~ msgstr "Properti:" #~ msgid "Polarizability" #~ msgstr "Kemampuan polarisasi" #~ msgid "Frequency Dependent" #~ msgstr "Frekuensi ikutan" #~ msgid "No. excitations:" #~ msgstr "No. eksitasi:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Label Grup:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Pengaturan Lanjut" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Poin Stat" #~ msgid "System" #~ msgstr "Sistem" #~ msgid "MO Guess" #~ msgstr "Kiraan MO" #~ msgid "Misc" #~ msgstr "Lain-lain" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Fungsi Polarisasi Atom Berat:" #~ msgid "Read" #~ msgstr "Baca" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Menghamburkan S-Shell pada Atom" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Hamburkan L-Shell pada Atom Berat" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valensi Dua Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valensi Tiga Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valensi SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valensi Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipe ECP:" #~ msgid "Default" #~ msgstr "Bawaan" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Fungsi Polarisasi Atom Berat:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Fungsi Polarisasi Atom:" #~ msgid "Polar:" #~ msgstr "Kutub:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iterasi SCF Max:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Tertatih" #~ msgid "Saddle Point" #~ msgstr "Titik Duduk" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiasi Transisi mom." #~ msgid "Spin Orbit" #~ msgstr "Orbit Putaran" #~ msgid "Finite Electric Field" #~ msgstr "Bidang Elektrik Terhingga" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimisasi global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimisasi FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensitas Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Kosong (Cl)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipe SCF:" #~ msgid "Localization Method:" #~ msgstr "Metoda Localisasi:" #~ msgid "Exec Type:" #~ msgstr "Tipe Exec:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinan Ames Lab." #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Penempatan Terbatas Ruang Aktif Berganda" #~ msgid "CI Singles" #~ msgstr "CI Tunggal" #~ msgid "Full Second Order CI" #~ msgstr "Orde Dua Cl Penuh" #~ msgid "General CI" #~ msgstr "CI Umum" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC Linier" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC dengan Berganda" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC dengan Tunggal dan Berganda" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Dijalankan Normal" #~ msgid "Check" #~ msgstr "Periksa" #~ msgid "Debug" #~ msgstr "Awakutu" #~ msgid "Molecule Charge:" #~ msgstr "Muatan Molekul:" #~ msgid "Run Type:" #~ msgstr "Tipe Run:" #~ msgid "Use MP2" #~ msgstr "Gunakan MP2" #~ msgid "Use DFT" #~ msgstr "Gunakan DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# dari Variabel Matriks-Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Orde Sumbu Utama:" #~ msgid "Coordinate Type:" #~ msgstr "Tipe Koordinat:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Koordinat Cartesian." #~ msgid "Hilderbrant internals" #~ msgstr "Internal Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Matriks-Z" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Gunakan Simetri Ketika Menghitung" #~ msgid "Point Group:" #~ msgstr "Grup Poin:" #~ msgid "Minutes" #~ msgstr "Menit" #~ msgid "Hours" #~ msgstr "Jam" #~ msgid "Days" #~ msgstr "Hari" #~ msgid "Weeks" #~ msgstr "Minggu" #~ msgid "Years" #~ msgstr "Tahun" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Metoda Gaya Paralel" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Mnghasilkan berkas \"core\" saat membatalkan" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memori:" #~ msgid "Diagonalization Method:" #~ msgstr "Metoda Diagonalisasi" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipe Keseimbangan Beban Paralel" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Perulangan" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Angka Selanjutnya" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Gunakan Representasi Data Eksternal untuk Pesan Catatan" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Dibaca ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Disimpan (DICTNRY)" #~ msgid "Skip" #~ msgstr "Lewati" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Putar Orbit Alfa dan Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Cetak Terkaan Awal" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Antarmuka GAMESS dengan Program Lain" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Paksa pada Tipe Check Run" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Solvate with Water" #~ msgstr "Solvate dengan Air" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Membuat Orbit UHF Alami" #~ msgid "Direct SCF" #~ msgstr "SCF Langsung" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Menghitung Hanya Perubahan di Matriks Fock" #~ msgid "Slater exchange" #~ msgstr "Pergantian Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Pertukaran Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Korelasi Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Korelasi Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: pertukaran Slater + korelasi VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Pertukaran BECKE + korelasi VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: pertukaran BECKE + korelasi LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Pertukaran Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Pertukaran Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Korelasi progresif satu-parameter" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Korelasi SLATER + Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Korelasi SLATER + OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Pertukaran BECKE + korelasi OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: pertukaran GILL + korelasi VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: pertukaran GILL + korelasi LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: pertukaran PBE + korelasi VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: pertukaran PBE + korelasi LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: pertukaran PBE + korelasi OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: pertukaran HF dan BECKE + korelasi LYP" #~ msgid "Grid-Free" #~ msgstr "Tanpa-Grid" #~ msgid "AO Integral Storage" #~ msgstr "Penyimpanan AO Integral" #~ msgid "Duplicated on Each Node" #~ msgstr "Ditiru pada Setiap Nodal" #~ msgid "Distributed Across All Nodes" #~ msgstr "Terdistribusi Pada Semua Nodal" #~ msgid "words" #~ msgstr "kata" #~ msgid "Compute MP2 Properties" #~ msgstr "Menghitung Properti MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Pemotongan Integral Retensi:" #~ msgid "Use Localized Orbitals" #~ msgstr "Gunakan Orbit Lokal" #~ msgid "# of Core Electrons:" #~ msgstr "# dari Elektron Inti:" #~ msgid "Transformation Method" #~ msgstr "Metoda Transformasi" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Transformasi Tersegmentasi" #~ msgid "Numeric" #~ msgstr "Numerik" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Cetak Konstanta Gaya Internal" #~ msgid "Displacement Size:" #~ msgstr "Ukuran Simpangan:" #~ msgid "Purify Hessian" #~ msgstr "Bersihkan Hessian" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessian Awal" #~ msgid "Guess (+ define)" #~ msgstr "Kiraan (+ definisi)" #~ msgid "Read (from $HESS)" #~ msgstr "Baca (dari $HESS)" #~ msgid "Update Step Size" #~ msgstr "Perbarui Ukuran Langkah" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Cetak Orbit pada setiap iterasi" #~ msgid "Jump Size:" #~ msgstr "Ukuran Lompatan:" #~ msgid "Stationary Point" #~ msgstr "Titik Stasioner" #~ msgid "Initial:" #~ msgstr "Awal:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Fungsi Rasional Optimisasi" #~ msgid "Quadratic Approximation" #~ msgstr "Pendekatan Kuadrat" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimisasi dengan Kendala" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Menghitung Ulang Setiap Hessian:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "Masukan GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Masukan GAMESS-UK yang dihasilkan Avogadro" #~ msgid "Transition State Search" #~ msgstr "Pencarian Transition State" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriks-Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Pada mode langsung, integral tidak akan disimpan, tetapi dihitung bila " #~ "diperlukan.\n" #~ "Di beberapa sistem dengan prosesor unggul, mode ini akan lebih cepat." #~ msgid "Run in direct mode:" #~ msgstr "Jalankan pada mode langsung:" #~ msgid "Gaussian Input" #~ msgstr "Masukan Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrix-Z (ringkas)" #~ msgid "MOLPRO Input" #~ msgstr "Masukan MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versi Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Masukan NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Masukan Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Memuat Shader" #~ msgid "Shader Name:" #~ msgstr "Nama Shader:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragmen Shader:" #~ msgid "Assign Shader" #~ msgstr "Terapkan Shader" #~ msgid "Display Type:" #~ msgstr "Tipe Monitor:" #~ msgid "Font:" #~ msgstr "Huruf:" #~ msgid "Change Font..." #~ msgstr "Merubah Huruf..." #~ msgid "New..." #~ msgstr "Baru..." #~ msgid "Rename..." #~ msgstr "Namai ulang..." #~ msgid "&Schemes:" #~ msgstr "&Skema:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "Lebar:" #~ msgid "&Height" #~ msgstr "Tinggi" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Gunakan ukuran huruf yang optimal sebagai ganti dari angka dinyatakan " #~ "melalui skema" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Pengaturan Otomatis Ukuran Huru&f" #~ msgid "Spectra Tab" #~ msgstr "Tab Spektra" #~ msgid "&Gaussian Width:" #~ msgstr "Lebar &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipe Rotatory Strength:" #~ msgid "Energy units:" #~ msgstr "Satuan Energi:" #~ msgid "Density units" #~ msgstr "Satuan Densitas" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energi: " #~ msgid "States / Cell" #~ msgstr "States / Sel" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Elektron valensi" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energi saat nol" #~ msgid "Scale integrated DOS" #~ msgstr "Skala terintegrasi DOS" #~ msgid "Show integrated DOS" #~ msgstr "Tampilan terintegrasi DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Satuan Sumbu &Y:" #~ msgid "Scaling Type:" #~ msgstr "Tipe Skala:" #~ msgid "Relative" #~ msgstr "Relatif" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Le&bar Gaussian:" #~ msgid "Reset &Plot Axes" #~ msgstr "Tata Ulan Sumbu &Plot" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Getaran molekuler" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Aktivitas (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Tampilkan &Spektra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "getaran dengan frekuensi lebih tinggi akan memperlihatkan pergerakan " #~ "lebih cepat" #~ msgid "Animation speed set by frequency" #~ msgstr "Kecepatan animasi diatur dengan frekuensi" #~ msgid "Display force &vectors" #~ msgstr "Menampilkan &vektor gaya" #~ msgid "&Normalize displacements" #~ msgstr "Simpangan dengan &normalisasi" #~ msgid "&Recalculate All" #~ msgstr "Hitung ulang semuanya" #~ msgid "Default &Quality:" #~ msgstr "Kualitas Bawaan" #~ msgid "Show occupied orbitals first" #~ msgstr "Pertama tampilkan orbit yang ditempati" #~ msgid "Surface Type:" #~ msgstr "Tipe Permukaan:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Rendah" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Sedang" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Tinggi" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Sangat Tinggi" #~ msgid "Isosurface cutoff value" #~ msgstr "Angka potong Permukaan Iso" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tipe Ditampilkan:" #~ msgid "New Display" #~ msgstr "Tampilan Baru" #~ msgid "Advanced..." #~ msgstr "Pengaturan Lanjut..." #~ msgid "Display visual cues" #~ msgstr "Tampilkan visual cues" #~ msgid "Python Settings" #~ msgstr "Setelan Python" #~ msgid "Z Matrix Editor" #~ msgstr "Penyunting Z Matrix" OpenChemistry-avogadrolibs-ceb949f/i18n/it.po000066400000000000000000012625021516317240700212350ustar00rootroot00000000000000# Italian translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Alessandro Mandelli , 2021. # Will Owy , 2021. # Ludovico Besana , 2021. # Giacomo , 2021. # J. Lavoie , 2021. # Alex B , 2022. # Marco Marchiò , 2023. # nicola zanna , 2023. # Eisuke Kawashima , 2024, 2025, 2026. # Giggino Bibitaro , 2024. # LibreTranslate , 2024, 2025. # Daniel Colciaghi , 2025. # Weblate Translation Memory , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Italian \n" "Language: it\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Processo Batch #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nessun messaggio specificato." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Lo script --print-options output deve essere un oggetto JSON al livello più " "alto. Received:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Nessuna stringa di errore." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "L'elemento di \"warnings\" non è un array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Il file di riferimento '%1' non esiste." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Errore nel popolamento del file %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "File '%1' non completo. Manca la stringa 'contents' o 'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Inserimento file malformato: nome file/contenuti mancanti o non stringhe:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "File malformato all'indice %1: Non è un oggetto." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "L'elemento di \"files\" non è un array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Elemento di \"files\" mancante." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" "Una elemento di \"mainFile\" non fa riferimento ad alcuna voce in \"files\"." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "L'elemento di \"mainFile\" deve essere una stringa." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "La risposta deve essere un oggetto JSON alla radice." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Output dello script:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Errore di parsificazione alla posizione %L1: \"%2\"\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Errore nel salvataggio della rappresentazione della molecola come stringa: " "Formato del file non riconosciuto:%1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" "Errore nel salvataggio della rappresentazione della molecola come stringa:%1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Generatore di input" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continua" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Chiudi" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Sconosciuto" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Non ci sono file di input da salvare!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Invia %1 calcolo" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Errore di output" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Impossibile scrivere sul file %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: il file verrà sovrascritto." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: il file non può essere scritto." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nessun programma selezionato." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nessuna molecola definita in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nessun Io::FileFormat impostato in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nessun nome file impostato in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Idrogeno" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Elio" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berillio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbonio" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azoto" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Ossigeno" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluoro" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alluminio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Zolfo" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadio" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Cromo" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nichel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Rame" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinco" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallio" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenico" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Cripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stronzio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ittrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecnezio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argento" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Stagno" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurio" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodio" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantanio" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promezio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Olmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Itterbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutezio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Afnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalio" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsteno" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Oro" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercurio" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tallio" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Piombo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francio" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Attinio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protoattinio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Nettunio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curio" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berchelio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einstenio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurenzio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Borio" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicio" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennesso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Esplora" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Seleziona file:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Seleziona gli eseguibili:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Tutti i file" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titolo" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Base del nome del file" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Core dei processori" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Tipo di calcolo" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[nessuna molecola]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Sfera e bastoncino" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartone" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Forza" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etichetta" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfici" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non covalente" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Senza titolo" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tavola periodica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Errore di lettura." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Errore sconosciuto." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Aggiungi Atomo" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Rimuovi atomo" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Regola gli idrogeni" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Cambia Elemento" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Cambia Elemento" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Aggiungi legame" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Elimina legame" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Ordine di legame" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Cambia l'ordine dei legami" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Aggiorna legami" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Rimuovi cellula dell'unità" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Lega gli atomi alla cellula" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Scala il volume della cellula di unità" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Ruota nell'orientamento standard" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Riduci a Cella Primitiva" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 #, fuzzy msgid "Symmetrize Cell" msgstr "Simmetrizza la cella" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Riempi la Cella Unitaria" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Cambiare la Posizione degli Atomi" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Cambiare la Posizione dell'Atomo" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Cambiare l'Etichetta dell'Atomo" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Cambia la selezione" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Impostazioni" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Esporta" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Compila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Allinea" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Asse:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Allineare all'Origine" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Allineare a Axis" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centrare l'atomo all'origine." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Strumento di allineamento" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Allinea le molecole a un asse cartesiano" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Errore" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Errore durante la lettura del file di struttura (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Errore" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Successo" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Impossibile salvare il file %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Per colore personalizzato…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Elemento" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Per la carica parziale.." #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "Per struttura secondaria" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Per Amminoacido" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spettri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Visualizza" #: qtplugins/applycolors/applycolors.cpp:153 #, fuzzy msgid "Color Atoms" msgstr "Colori" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Colore per Residuo" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Ottimizzazione" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metodo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Avvia" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Ferma" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Ottimizza la geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamiche molecolari" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacità" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostrare i legami multipli" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostrare l'idrogeno" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Visualizza gli atomi come sfere e i legami come cilindri." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipolazione basata sui legami" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Strumento di manipolazione incentrato sui legami." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Percepire i legami" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configura unione…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Legame" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Percepire i legami." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone (Spina dorsale)" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Nastro" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Fumetto" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Aggiungi il Centro di Massa" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Distanza massima:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Estensioni" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Errore nel leggere il file di output '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Script di comando" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Altre…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "&Calcola" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Angolo" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipo" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atomo 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atomo 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atomo 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor atomico di &Coordinate…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Cambia le coordinate" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Sovrascrivere cambiamenti?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nome dell'elemento non valido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nome elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Simbolo dell'elemento non valido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbolo dell'elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indici Atomici." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Numero atomico non valido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Numero atomico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordinate non valide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordinata X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordinata Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordinata Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Coordinata reticolare 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Coordinata reticolare 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Coordinata reticolare 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizzato" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Input Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copia" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Taglia" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Elimina" #: qtplugins/copypaste/copypaste.cpp:37 #, fuzzy msgid "&Paste" msgstr "Incolla" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Modifica" #: qtplugins/copypaste/copypaste.cpp:87 #, fuzzy msgid "Copy As" msgstr "Copia come" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato di output: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato rilevato: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Ottimizzazione della Geometria" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Meccanica molecolare" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NESSUNO" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradienti coniugati" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Massima pendenza" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importa il Cristallo dagli appunti…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Modifica cella unitaria…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Lega gli atomi alla cellula" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Ruota nell'&orientamento standard" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Scala Cella &Volume…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Costruisci &Super Cella…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Riduci la cellula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Cristallo" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Rimuovi cellula dell'&unità" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Aggiungi cellula dell'&unità" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Importa il Cristallo dagli appunti" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Mantieni gli atomi in una cellula unitaria." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 #, fuzzy msgid "The unit cell is already reduced." msgstr "Questa cellula di unità è già riprodotta." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristallo" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Rendi i confini delle celle unitarie." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Non è possibile analizzare il testo" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento di dipolo" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Disegna" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Disegna Atomo" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distanza:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Singolo" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Doppio" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triplo" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importa" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Preleva da PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Struttura chimica da scaricare." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Download dalla Rete Fallito" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Timeout di rete o altro errore." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molecola specificata non è stata trovata: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Preleva da PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configura…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Fissa gli atomi selezionati" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energia = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Ottimizzazione del campo di forze" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Input GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Energia del punto singolo" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometria di Equilibrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Stato di Transizione" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequenze" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Costruisci EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potenziale core" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nessuno" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Acqua" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singoletto" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doppietto" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Tripletto" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicatione" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Catione" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anione" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianione" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Regola gli idrogeni" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Aggiungi idrogeni" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Rimuovi idrogeni" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Idrogeni" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Idrogeni" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Inserisci" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Inserisci DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracile" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Inserisci molecola…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Inserisci DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molecola…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristallo…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importa cristallo" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Inserisci Frammento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserisci Frammento" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Inserisci frammenti molecolari per costruire molecole più grandi." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Colore:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID Univoco" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Etichette atomo:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Desideri aggiornare il testo di anteprima, perdendo tutti i cambiamenti " "fatti nel pannello del file di input Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacità:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Rendi gli atomi come liquirizia." #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Nessuna descrizione trovata!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipola" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Misura" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedrico:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angolo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Proprietà" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Proprietà Molecolari" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Proprietà della molecola" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Esporta CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "File CSV (*.csv);;Tutti i file (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Non è stato possibile aprire il file in scrittura." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Esporta…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Naviga" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Strumento di navigazione" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nome chimico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Definisci il campo di forza…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Ricerca Conformeri…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Percepire i legami" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Aggiungi idrogeni per il pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Rimuovi idrogeni" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Ottimizza la geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Il numero di atomi nell'output di obabel (%1) non corrisponde al numero di " "atomi nella molecola originale (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Aggiungi idrogeni (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Generando l'input Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Errore nel generare l'input Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, fuzzy, qt-format msgid "Running %1…" msgstr "Esecuzione di %1…" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Aggiungi idrogeni per il pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 #, fuzzy msgid "Generating obabel input…" msgstr "Generando l'input obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Rimuovi idrogeni (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Desideri aggiornare il testo di anteprima, perdendo tutti i cambiamenti " "fatti nel pannello del file di input OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Stato" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Generatore di input" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Legame dinamico?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Metti in pausa" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Esporta la grafica vettoriale" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "File video (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 #, fuzzy msgid "Plot Pair Distribution Function…" msgstr "Funzione di distribuzione delle coppie di grafici…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Messaggio di errore: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Errore: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Salva File" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Renderizzare la scena usando PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Carica formale" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Colore" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atomo" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Atomo Iniziale" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Atomo terminale" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Ordine dei legami" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lunghezza (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertica" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Angolo (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Elica 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Proprietà dell'Atomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Proprietà del legame…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Proprietà dell'Angolo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Proprietà di torsione…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Finestre per la visualizzazione dell'atomo, del legame, dell'angolo e delle " "proprietà di torsione." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Proprietà" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Proprietà dell'Atomo" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Proprietà del legame" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Proprietà dell'Angolo" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Proprietà di torsione" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Proprietà del conformero" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Carica Atomica…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Apri file WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "File WFN (*.wfn);;Tutti i file (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Estensione QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centra" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Seleziona tutto" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Seleziona Niente" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Seleziona per residuo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Cambia selezioni" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleziona" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Seleziona residuo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Seleziona" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selezione" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepisci il gruppo di spazio…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 #, fuzzy msgid "Set Tolerance…" msgstr "Imposta tolleranza…" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Riempi la Cella Unitaria…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Gruppo di spazio" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internazionale" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Imposta il gruppo di spazio" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Gruppo di spazio" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spettri" #: qtplugins/spectra/spectra.h:34 #, fuzzy msgid "Display spectra plots." msgstr "Visualizza gli spettri." #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infrarosso" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elettrone" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Densità degli Stati" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Seleziona il colore di sfondo" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Seleziona il colore di primo piano" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Seleziona il colore degli spettri calcolati" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Seleziona il colore degli spettri importati" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Numero d'onda (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intensità" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "Spettri NMR" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbitale" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simmetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbitale Molecolare" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densità elettronica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Crea superfici…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 #, fuzzy msgid "Render a molecular orbital." msgstr "Renderizza Orbitale Molecolare." #: qtplugins/surfaces/surfaces.cpp:128 #, fuzzy msgid "Render the electron density." msgstr "Renderizza la densità elettronica." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Sto calcolando la densità elettronica" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calcolo dell'orbitale molecolare %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simmetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Gruppo %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Avvia Animazione" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Ferma Animazione" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy msgid "Vibrational Modes…" msgstr "Modalità vibrazionali…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibrazione" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy msgid "Display vibrational modes." msgstr "Visualizza le modalità vibrazionali." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderizzare la scena usando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Renderizza la molecola come un wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "L'esecuzione di %1 è fallita" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Modulo" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Invia calcolo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Elimina i file remoti al termine:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Inserisci Frammento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtro:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Digitare un nome o una parte del nome per visualizzare solo i file " "corrispondenti." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserisci" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo di forza:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Riuscito!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Carica file struttura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Caricare il file del cubo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carica Parziale" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distanza minima:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Aggiungi Vincoli" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Aggiungi" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor delle coordinate" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Impostazioni Predefinite:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unità di distanza:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Incolla" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Pulisci" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Applica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Ripristina tutto" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Valori predefiniti" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Salva File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Impostazioni &base" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titolo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcola:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funzionale" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opzioni della supercellula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ripeti A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ripeti B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ripeti C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matrice cellulare:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Applica" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scala il volume della cellula di unità" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Fattore di scala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "EtichettaDiTesto" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordine dei legami:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Criteri di convergenza" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Energy convergence:" msgstr "Convergenza energetica:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limite passo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unità" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " passi" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metodo di ottimizzazione" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Input GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Molteplicità:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Con:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carica:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Inserisci acidi nucleici" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Acidi nucleici:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequenza:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Altre" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Singolo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Doppio" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Acido aspartico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Acido glutammico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutammina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gli" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Istidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "Is" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirosina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tir" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofano" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Tr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Fe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequenza (da N a C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochimica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Capolinea N:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Capolinea C:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Catena dritta" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Numero della catena:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Il numero della catena per il nuovo peptide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unità" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "reale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metallo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elettrone" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "legame" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "intero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecolare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Insieme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensioni" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Usa Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Translate by:" msgstr "Trasforma" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Origine" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Ricerca Conformeri" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metodo" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Numero di conformeri:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Ricerca sistematica dei rotori" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Ricerca casuale dei rotori" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Ricerca pesata dei rotori" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy msgid "Genetic algorithm search" msgstr "Ricerca dell'algoritmo genetico" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opzioni dell'algoritmo genetico" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Bambini:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Mutabilità:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Convergenza:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Massima pendenza" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Convergenza \"energetica\":" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo di forza:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Riferimento" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Singolo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doppio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Vincoli:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia totale" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Lunghezza d'onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raggio del punto critico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raggio del percorso del legame:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Dimensione costante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Fattore di scala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aspetto" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spettri importati:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Mostra" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Sfondo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Spettro calcolato:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Esporta i dati" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Chiudi" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualità: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Basso" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molto alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crea superfici" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Colori per:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Potenziale elettrostatico" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Risoluzione:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valore dell'isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Chiaro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcola" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecola" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Centra" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Carica formale:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "1: Lineare" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "2: Lineare" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "dagli appunti" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Gruppi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Gruppo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Ampiezza:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,94thomas,Daniele Baitieri,Guybrush88,Luca " "Brivio,Matteo Ferrabone,MeltingShell,Michele Gatti,Nikopol,Paolo " "Naldini,Paolo Signifredi,Sergio Zanchetta,Simone Oberti,mackos,nicola de " "mitri, ,Launchpad Contributions:,94thomas,Daniele Baitieri,Guybrush88,Luca " "Brivio,Matteo Ferrabone,MeltingShell,Michele Gatti,Nikopol,Paolo " "Naldini,Paolo Signifredi,Sergio Zanchetta,Simone Oberti,mackos,nicola de " "mitri, ,Launchpad Contributions:,94thomas, ,Launchpad " "Contributions:,94thomas,Michele Gatti,dicairo, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele " "Gatti,Vincenzo vikkio88 Ciaccio,dicairo, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele " "Gatti,Vincenzo vikkio88 Ciaccio,dicairo,gabriele.lanaro, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele " "Gatti,Vincenzo vikkio88 Ciaccio,dicairo,gabriele.lanaro, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele " "Gatti,Vincenzo vikkio88 Ciaccio,dicairo,gabriele.lanaro,marco " "lucato,yurop, ,Launchpad Contributions:,94thomas,Avogadro Team,Geoff " "Hutchison,Matteo Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 " "Ciaccio,dicairo,gabriele.lanaro,marco lucato,simone.sandri,yurop, ,Launchpad " "Contributions:,94thomas,Avogadro Team,Geoff Hutchison,Matteo " "Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 " "Ciaccio,dicairo,gabriele.lanaro,marco lucato,simone.sandri,yurop, ,Launchpad " "Contributions:,94thomas,Avogadro Team,Geoff Hutchison,Guybrush88,Matteo " "Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 " "Ciaccio,dicairo,fasix,gabriele.lanaro,marco " "lucato,simone.sandri,yurop, ,Launchpad Contributions:,94thomas,Avogadro " "Team,Daniele,Enrico \"eNry\" Carafa,Geoff Hutchison,Guybrush88,Matteo " "\"Bianco\",Matteo Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 " "Ciaccio,Wonderfulheart,carlo micheli,dicairo,fasix,gabriele.lanaro,marco " "lucato,simone.sandri,yurop, ,Launchpad Contributions:,94thomas,Avogadro " "Team,Daniele,Enrico \"eNry\" Carafa,Geoff Hutchison,Guybrush88,Matteo " "\"Bianco\",Matteo Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 " "Ciaccio,Vito Fasano,Wonderfulheart,carlo " "micheli,dicairo,gabriele.lanaro,marco lucato,simone.sandri,yurop, ,Launchpad " "Contributions:,94thomas,Avogadro Team,Daniele,Enrico \"eNry\" Carafa,Geoff " "Hutchison,Guybrush88,Matteo \"Bianco\",Matteo Ferrabone,Michele " "Gatti,Ra,Vincenzo vikkio88 Ciaccio,Vito Fasano,Wonderfulheart,carlo " "micheli,dicairo,gabriele.lanaro,marco lucato,simone.sandri,yurop" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Thomas.Bellotti@liceotosi.org,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@gmail.com,,,,,,Thomas.Bellotti@liceotosi.org,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@gmail.com,,,,,,Thomas.Bellotti@liceotosi.org,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@gmail.com,,,,,,gino@alkatron.it,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,,,,,Thomas.Bellotti@liceotosi.org,gino@alkatron.it,,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,,,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,,,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,,,,,lucab83@infinito.it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,,,,,,lucab83@infinito.it,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,kbonasia@gmail.com,,,,,lucab83@infinito.it,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,kbonasia@gmail.com,,,,,lucab83@infinito.it,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,primes2h@ubuntu.com,,,,vito.fasano@gmail.com,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,davide-98@live.com,giampaolo.bozzali@gmail.com,,,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@ubuntu.com,mcarlo.95@gmail.com,vito.fasano@gmail.com,,,lexluxsox@hotmail.it,,,Thomas.Bellotti@liceotosi.org,alberto.zanoni@tiscali.it,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,davide-98@live.com,giampaolo.bozzali@gmail.com,,,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@ubuntu.com,mcarlo.95@gmail.com,vito.fasano@gmail.com,,,lexluxsox@hotmail.it,,,Thomas.Bellotti@liceotosi.org,alberto.zanoni@tiscali.it,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,davide-98@live.com,giampaolo.bozzali@gmail.com,,,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@ubuntu.com,vito.fasano@gmail.com,mcarlo.95@gmail.com,,,lexluxsox@hotmail.it" #~ msgid "ColorOpacityMap" #~ msgstr "ColorOpacityMap" #~ msgid "Volume Rendering" #~ msgstr "Rendering del volume" #~ msgid "Isovalue" #~ msgstr "Isovalue" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Lo script non può essere caricato%1" #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Angolo:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Annulla" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #, fuzzy #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " .eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(in attesa)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Finestre per la visualizzazione dell'atomo, del legame, dell'angolo e " #~ "delle proprietà di torsione." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analitico" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importa..." #~ msgid "Set Color..." #~ msgstr "Imposta il colore..." #~ msgid "&Export..." #~ msgstr "&Esporta..." #~ msgid "&Load data..." #~ msgstr "&Carica dati..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Carica Parziale" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animazione" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Ottimizza la geometria" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Aggiungi cellula dell'&unità" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indici Atomici" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distanza:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indici Atomici" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Copia" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nome della molecola IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Peso molecolare (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Formula chimica:" #~ msgid "Number of Atoms:" #~ msgstr "Numero di atomi:" #~ msgid "Number of Bonds:" #~ msgstr "Numero di legami:" #~ msgid "TODO" #~ msgstr "DA FARE" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Dimensione Salto:" #, fuzzy #~ msgid "In." #~ msgstr "In:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Frammento..." #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funzionale" #~ msgid "Submit Calculation..." #~ msgstr "Invia calcolo..." #~ msgid "Other..." #~ msgstr "Altro..." #~ msgid "Filename" #~ msgstr "Nome del file" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Carica file struttura" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Naviga" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Naviga" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome elemento." #~ msgid "'c' coordinate." #~ msgstr "Coordinata 'c'." #~ msgid "All files (*);;" #~ msgstr "Tutti i file(*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboidale" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Inserisci molecola..." #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Nessuna molecola impostata" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristallo..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Aggiungi idrogeni per il pH..." #~ msgid "Atom Properties..." #~ msgstr "Proprietà Atomo..." #~ msgid "Bond Properties..." #~ msgstr "Proprietà del legame..." #~ msgid "Angle Properties..." #~ msgstr "Proprietà dell'Angolo..." #~ msgid "Torsion Properties..." #~ msgstr "Proprietà Torsioni..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Proprietà della molecola..." #~ msgid "Create Surfaces..." #~ msgstr "Crea superfici..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simmetria" #~ msgid "Insert Fragment..." #~ msgstr "Inserisci Frammento..." #~ msgid "Theory:" #~ msgstr "Teoria:" #~ msgid "Distance: %L1 Å" #~ msgstr "Distanza: %L1 Å" #~ msgid "Rotatable" #~ msgstr "Ruotabile" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformero %1\n" #~ "Lunghezza %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformero %1\n" #~ "Angolo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angolo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformero %1\n" #~ "Torsione %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsione %1" #~ msgid "Torsion" #~ msgstr "Torsione" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sì" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "Importa" #~ msgid "Insert SMILES" #~ msgstr "Inserire SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserisci un frammento SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Inserisci un cristallo" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Inserisci frammenti molecolari per costruire molecole più grandi" #~ msgid "E&xtensions" #~ msgstr "E&stensioni" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Ottimizza la geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Ottimizzazione geometrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Aggiungi idrogeni" #, fuzzy #~ msgid "Stopped" #~ msgstr "Ferma" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfici" #~ msgid "Color by Index" #~ msgstr "Colore per Indice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colore per Indice (rossi, arancione, giallo, verde, blu, viola)" #~ msgid "Color by Partial Charge" #~ msgstr "Colore per Carica parziale" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Colora per carica atomica parziale (blu = positivo, rosso = negativo)." #~ msgid "Custom Color:" #~ msgstr "Colore personalizzato:" #~ msgid "Set custom colors for objects" #~ msgstr "Imposta colori personalizzati per gli oggetti" #~ msgid "Color by Distance" #~ msgstr "Colore per Distanza" #~ msgid "Color by distance from the first atom." #~ msgstr "Colore per Distanza dal primo atomo" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colore per Elemento (carbonio=grigio, ossigeno=rosso, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colore per Residuo (tipo amminoacido, idrofobicità,..)" #~ msgid "SMARTS Pattern:" #~ msgstr "Schema SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Colore di evidenziazione:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colore per Schema SMART" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Evidenzia caratteristiche particolari che corrispondono a uno schema " #~ "SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motori" #~ msgid "Axes" #~ msgstr "Assi" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Visualizza gli assi x, y, e z dall'origine" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Visualizza primitivi con sfere (atomi) e righe (legami)" #~ msgid "Hydrogen Bond" #~ msgstr "Legame idrogeno" #~ msgid "Renders hydrogen bonds" #~ msgstr "Mostra legami idrogeno" #~ msgid "Select Atom Labels Color" #~ msgstr "Seleziona il colore per le etichette degli atomi" #~ msgid "Select Bond Labels Color" #~ msgstr "Seleziona il colore per le etichette dei legami" #~ msgid "Select Bond Labels Font" #~ msgstr "Seleziona il carattere per i legami" #~ msgid "Polygon" #~ msgstr "Poligono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Visualizza gli atomi come tetraedri, ottaedri, e altri poligoni" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderizza le catene di proteine come fiocchi" #~ msgid "Ring" #~ msgstr "Anello" #~ msgid "Renders rings with colored planes" #~ msgstr "Renderizza anelli con aereoplani colorati" #~ msgid "Simple Wireframe" #~ msgstr "Wireframe semplice" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Disegna i legami come cavi (linee), ideale per molecole di grandi " #~ "dimensioni" #~ msgid "Van der Waals Spheres" #~ msgstr "Sfere di Van der Waals" #~ msgid "Stick" #~ msgstr "Bastoni" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densità elettronica, isosuperficie = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperficie = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Disegna i legami come cavi (linee), ideale per (bio)molecole di grandi " #~ "dimensioni" #~ msgid "Trajectory files" #~ msgstr "File traiettoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "File DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Apri file traiettoria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Aggiunta dell'estensione .avi" #~ msgid "Animation..." #~ msgstr "Animazione..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Impossibile leggere il formato del file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Lettura della traiettoria del file %1 fallita." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Deve essere specificato un file con estensione .avi valido" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Il widget GL non è stato correttamente inizializzato per permettere il " #~ "salvataggio del video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome del file video non valido. Necessario includere il percorso intero" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome del file video non valido. Necessario includere il percorso intero " #~ "ed il nome, con estensione .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Non è stato possibile determinare il formato dal nome del file: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima traiettorie, reazioni e vibrazioni" #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Nessuna cellula definita per la molecola -- non è possibile utilizzare le " #~ "coordinate frazionali." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Numeri di atomi: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Numero di legami ruotabili: %1" #~ msgid "Add constraint" #~ msgstr "Aggiungi vincolo" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "La molecola deve contenere almeno un atomo per poter aggiungere un vincolo" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La molecola deve contenere almeno due atomi per poter aggiungere un " #~ "vincolo di legame" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "La molecola deve contenere almeno tre atomi per poter aggiungere un " #~ "vincolo angolare" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "La molecola deve contenere almeno quattro atomi per poter aggiungere un " #~ "vincolo torsionale" #~ msgid "&Crystallography" #~ msgstr "&Cristallografia" #~ msgid "&Reduce" #~ msgstr "&Riduci" #~ msgid "&Length Unit" #~ msgstr "Unità di &lunghezza" #~ msgid "&Angle Unit" #~ msgstr "Unità di &angolo" #~ msgid "Coordinate &Preservation" #~ msgstr "&Preservazione delle coordinate" #~ msgid "&Matrix Display" #~ msgstr "Visualizzazione della &Matrice" #~ msgid "Hide &Editors" #~ msgstr "Nascondi &redattori" #~ msgid "Show &Editors" #~ msgstr "Mostra &redattori" #~ msgid "Hide &Property Display" #~ msgstr "Nascondi la visualizzazione delle &proprietà" #~ msgid "Show &Property Display" #~ msgstr "Mostra la visualizzazione delle &proprietà" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo di reticolo: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Gruppo di spazio: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume della cellula dell'unità: %L1%2" #~ msgid "Undefined" #~ msgstr "Non definito" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclino" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonale" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Esagonale" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubico" #~ msgid "Paste Crystal" #~ msgstr "Incolla Cristallo" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Stop.Riduzione della cella fallita dopo 1000 iterazioni dell'algoritmo di " #~ "riduzione." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Ruota nell'&orientamento standard" #~ msgid "Perceive Space&group..." #~ msgstr "Percepisci &gruppo di spazio..." #~ msgid "Set &Spacegroup..." #~ msgstr "Imposta gruppo di %spazio..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Riempi la cellula dell'unità" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Riempire l' unità di cella usando lo spcegroup corrente" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Rimuovi gli atomi nelle posizioni equivalenti (inverso di \"Riempi la " #~ "Cella Unitaria\")" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Si&mmetrizza cristallo" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Riduci cellula (&primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometero" #~ msgid "&Picometer" #~ msgstr "&Picometero" #~ msgid "&Degree" #~ msgstr "&Grado" #~ msgid "&Radian" #~ msgstr "&Radiante" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostra coordinate &cartesiane" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Mantieni le coordinate cartesiane durante le modifiche alla cella" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Mantieni le coordinate frazionali durante le modifiche alla cella" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostra la matrice &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostra la matrice &frazionale" #~ msgid "Display as &row vectors" #~ msgstr "Mostra come vettori &riga" #~ msgid "Display as &column vectors" #~ msgstr "Mostra come vettori &colonna" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Non c'è un gruppo di spazio impostato per questo documento.\n" #~ "\n" #~ "Vuoi impostare un gruppo di spazio ora?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Avvolgi gli atomi alla cellula" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Riduci alla cellula di Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Seleziona la tolleranza nelle unità cartesiane correnti:" #~ msgid "Crystallography" #~ msgstr "Cristallografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Costruisci e analizza le strutture periodiche." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "L'input non è formattato come uno dei\n" #~ "seguenti formati supportati:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Composizione Sbagliata" #~ msgid "Cartesian Coordinates" #~ msgstr "Coordinate cartesiane" #~ msgid "Fractional Coordinates" #~ msgstr "Coordinate frazionali" #~ msgid "Set Fractional Coordinates" #~ msgstr "Imposta le coordinate frazionali" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrice della cellula (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Imposta la matrice della cellula di unità" #~ msgid "Set Unit Cell Params" #~ msgstr "Imposta i parametri della cellula di unità" #~ msgid "Working..." #~ msgstr "In esecuzione..." #~ msgid "Build" #~ msgstr "Genera" #~ msgid "No GLWidget?" #~ msgstr "Nessun GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Per piacere seleziona uno o più atomi." #~ msgid "Trajectory..." #~ msgstr "Traiettoria..." #~ msgid "Open chemical file format" #~ msgstr "Apri il formato chimico dei file" #~ msgid "Chemical files (*.xyz)" #~ msgstr "File chimici (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Apri il file dei parametri" #~ msgid "Chemical files (*.parm7)" #~ msgstr "File chimici (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importa traiettoria" #~ msgid "Import trajectory files" #~ msgstr "Importa file traiettoria" #~ msgid "Calculate Energy" #~ msgstr "Calcola Energia" #~ msgid "Conformer Search..." #~ msgstr "Ricerca Conformeri..." #~ msgid "Constraints..." #~ msgstr "Vincoli..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Non è possibile impostare il \"Campo di Forza\" appena selezionato per " #~ "questa molecola. Passo ad UFF (Campo di Forza Unitario)" #~ msgid "Geometric Optimization" #~ msgstr "Ottimizzazione geometrica" #~ msgid "Systematic Rotor Search" #~ msgstr "Ricerca sistematica dei rotori" #~ msgid "Random Rotor Search" #~ msgstr "Ricerca casuale dei rotori" #~ msgid "Weighted Rotor Search" #~ msgstr "Ricerca pesata dei rotori" #~ msgid "ForceField" #~ msgstr "Campo di forze" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Ottimizza le molecola e genera conformazioni utilizzando campi meccanici " #~ "di forza" #~ msgid "&Vector Graphics..." #~ msgstr "&Grafiche vettoriali" #~ msgid "Common vector image formats" #~ msgstr "Formati comuni per immagini vettoriali" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Esportazione della grafica vettoriale" #~ msgid "Change H to Methyl" #~ msgstr "Cambia H in Metile" #~ msgid "H to Methyl" #~ msgstr "Sostituisci H con Metile" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Trasforma l'idrogeno in gruppi metile" #~ msgid "Add or remove hydrogens" #~ msgstr "Aggiungi o rimuovi idrogeno" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Inserisci catene DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserisci sequenze di oligopeptidi" #~ msgid "Invert Chirality" #~ msgstr "Inverti la chiralità" #~ msgid "InvertChiral" #~ msgstr "Inverti Chiralità" #~ msgid "Invert chiral centers" #~ msgstr "Inverti i centri chirali" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "sconosciuto" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento del Dipolo Stimato (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Visualizza le proprietà molecolari standard" #~ msgid "Fetch by chemical name..." #~ msgstr "Prendi per nome chimico" #~ msgid "Fetch from URL..." #~ msgstr "Preleva da un URL..." #~ msgid "PDB Entry" #~ msgstr "Voce PDB" #~ msgid "PDB entry to download." #~ msgstr "Voce PDB da scaricare." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL della molecola da scaricare." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molecola specificata non è stata caricata: %1" #~ msgid "Network Fetch" #~ msgstr "Prelievo dalla Rete" #~ msgid "Fetch molecule files over the network." #~ msgstr "Preleva i file della molecola dalla rete." #~ msgid "Show Preview" #~ msgstr "Mostra anteprima" #~ msgid "Hide Preview" #~ msgstr "Nascondi Anteprima" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Salva l'immagine creata con il metodo POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "File immagine (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nessun nome valido del file è stato fornito." #~ msgid "Does not compute." #~ msgstr "Non calcola." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Hai richiesto di non usare una rappresentazione diretta con il metodo POV-" #~ "Ray e di non mantenere il file POV-Ray. Il risultato sarà che non sarà " #~ "salvato il lavoro. Sei sicuro che sia questo ciò che vuoi?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Impossibile scrivere sul file %1. Si possiedono le autorizzazioni per " #~ "scrivere in quella posizione?" #~ msgid "POV-Ray failed to start." #~ msgstr "L'inizializzazione di POV-Ray è fallita." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "L'inizializzazione di POV-Ray è fallita. Forse il percorso " #~ "all'esecutibile non è regolato correttamente." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea file POV-Ray ed effettua il rendering utilizzando la linea di " #~ "comando POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Proprietà della Conformazione..." #~ msgid "Python Terminal" #~ msgstr "Terminale Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminale interattivo di scripting python" #~ msgid "Abinit Running." #~ msgstr "Abinit in esecuzione." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit è già in uso. Per favore attendi il termine del calcolo precedente." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit non installato." #~ msgid "The abinit executable cannot be found." #~ msgstr "L'eseguibile di adibit non può essere trovato." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Abinit non parte. Forse non è installato correttamente." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit non funziona nel modo corretto. Forse non è installato " #~ "correttamente." #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selezione EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selezione QM..." #~ msgid "You must make a selection!" #~ msgstr "Devi effettuare una selezione!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversione SMILES non Disponibile" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversione Formato SMILES non Disponibile" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crea file di input per il pacchetto di chimica quantistica GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Impostazioni Avanzate Modificate" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Le impostazioni avanzate sono state modificate.\n" #~ "Annullare?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reset Impostazioni Avanzate" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Sei sicuro di voler ripristinare le impostazioni avanzate?\n" #~ "Tutte le modifiche andranno perse!" #~ msgid "Basic Settings Reset" #~ msgstr "Reset Impostazioni di Base" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "Sei sicuro di voler ripristinare le impostazioni di base?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Mazzo di input GAMESS-UK" #~ msgid "Gaussian Input Deck" #~ msgstr "Ponte di immissione dati gaussiani" #~ msgid "Gaussian Running." #~ msgstr "Gaussian in esecuzione" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian è già in esecuzione. Attendere la fine del calcolo precedente." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian non è installato." #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'eseguibile G03 non è stato trovato." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 non si è avviato. Forse non è stato installato correttamente." #~ msgid "Running Gaussian calculation..." #~ msgstr "Calcolo Gaussian in corso..." #~ msgid "G03 Crashed." #~ msgstr "G03 si è arrestato inaspettatamente." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian non è stato eseguito correttamente. Forse non è installato " #~ "correttamente." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Molpro Input Deck" #~ msgstr "Mazzo di input Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avviso di input MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Mazzo di input MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC in esecuzione." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC è già in esecuzione. Attendi la fine del calcolo in corso." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC non è installato." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Impossibile trovare l'eseguibile di MOPAC" #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC non è partito." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC non è partito. Potrebbe non essere installato correttamente." #~ msgid "Running MOPAC calculation..." #~ msgstr "Calcolo MOPAC in corso..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC è terminato inaspettatamente." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC non èstato eseguito correttamente.Potrebbe non essere installato " #~ "correttamente." #~ msgid "NWChem Input Deck" #~ msgstr "Mazzo di input NWChem" #~ msgid "Psi4 Input Deck" #~ msgstr "Mazzo input Psi4" #~ msgid "QChem Input Deck" #~ msgstr "Mazzo di input QChem" #~ msgid "Select SMARTS..." #~ msgstr "Seleziona SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Aggiungi selezione con nome..." #~ msgid "SMARTS Selection" #~ msgstr "Selezione SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "S" #~ msgid "There is no current selection." #~ msgstr "Non c'è alcuna selezione corrente." #~ msgid "Add Named Selection" #~ msgstr "Aggiungi selezione con nome" #~ msgid "Name cannot be empty." #~ msgstr "Il nome non può essere vuoto" #~ msgid "There is already a selection with this name." #~ msgstr "Esiste già una selezione con questo nome." #~ msgid "Selections" #~ msgstr "Selezioni" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seleziona atomi, legami, residui..." #~ msgid "GLSL Shaders..." #~ msgstr "Ombreggiatori GLSL" #~ msgid "Open a vertex shader source file" #~ msgstr "Apri un file sorgente di vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "File vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Apri un file sorgente fragment shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "File fragment shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Apri un file di parametri dell'ombreggiatore" #~ msgid "Shader parameters files (*.params)" #~ msgstr "File dei parametri dell'ombreggiatore (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Ombreggiatori GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carica e usa gli ombreggiatori OpenGL 2.0 GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensità (unità arabe)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densità degli stati (stati/cellula)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densità degli stati (stati/atomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densità degli stati (stati/elettroni di valenza)" #~ msgid "Transmittance (%)" #~ msgstr "Trasmittanza (%)" #~ msgid "Absorbance (%)" #~ msgstr "Assorbanza (%)" #~ msgid "No intensities" #~ msgstr "Intensità assenti" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "I dati della vibrazione nella molecola che hai caricato non hanno dati di " #~ "intensità. Le intensità sono state impostate a un valore arbitrario per " #~ "la visualizzazione." #~ msgid "Activity" #~ msgstr "Attività" #~ msgid "X Axis" #~ msgstr "Asse X" #~ msgid "Y Axis" #~ msgstr "Asse Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Impostazioni spettri &infrarossi" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Impostazioni spettri &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DDS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Impostazioni &UV" #~ msgid "&CD Settings" #~ msgstr "Impostazioni &CD" #~ msgid "&Raman Settings" #~ msgstr "Impostazioni &Raman" #~ msgid "No data" #~ msgstr "Nessun dato" #~ msgid "Dark" #~ msgstr "Scuro" #~ msgid "Publication" #~ msgstr "Pubblicazione" #~ msgid "Handdrawn" #~ msgstr "Disegnato a mano" #~ msgid "New Scheme" #~ msgstr "Nuovo schema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Conferma rimozione schema" #~ msgid "Really remove current scheme?" #~ msgstr "Sicuro di voler rimuovere lo schema corrente?" #~ msgid "Change Scheme Name" #~ msgstr "Cambia il nome dello schema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Inserire un nome per lo schema corrente:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Estensione sconosciuta: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Dati IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Dati IR Turbomole (*.out)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Dato turbomole UV (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Dato turbolmole CD (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Formato dei Dati" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato:" #~ msgid "Load Spectral Data" #~ msgstr "Carica Dati Spettrali" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Il file CD Turbomole è formattato impropriamente: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Bitmap di Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap Portabile" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Salva Immaggine di Spettro" #~ msgid "&Advanced <<" #~ msgstr "&Avanzate <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanzate >>" #~ msgid "&Spectra..." #~ msgstr "&Spettri..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Visualizza dati di spettro ottenuti da calcoli di chimica quantistica." #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analisi Vibrazionale" #~ msgid "No vibrational displacements exist." #~ msgstr "Non esistono spostamenti vibrazionali" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ordino %1 vibrazioni in ordine di frequenza..." #~ msgid "Super Cell Builder..." #~ msgstr "Costruzione Super Cell..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Questo documento è attualmente una molecola isolata. Devi creare una " #~ "cella unitaria." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Costruisci e mostra super cellue cristallografiche" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitali molecolari..." #~ msgid "Orbitals" #~ msgstr "Orbitali" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Niente" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densità elettronica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Errore - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calcolando il cubo VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calcolo in corso per MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcola gli orbitali molecolari e le altre superfici" #~ msgid "Insert Nanotube" #~ msgstr "Inserisci nanotubo" #~ msgid "Building..." #~ msgstr "In costruzione..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Il widget GL non è stato inizializzato correttamente per fare un video" #~ msgid "GL widget has no molecule" #~ msgstr "Il widget GL non ha molecole" #~ msgid "Building video " #~ msgstr "Sto costruendo il video " #~ msgid "Could not run mencoder." #~ msgstr "Non è stato possibile eseguire mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Imposta Rapporto Aspetto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "La visuale corrente di Avogadro è larga %1x%2 pixels, e perciò ha un " #~ "rapporto di aspetto %3.\n" #~ "Puoi tenere questo rapporto se, ad esempio, vuoi usare POV-Ray per " #~ "produrre un'immagine di %4x1000 pixels, o puoi inserire un altro valore " #~ "positivo, ad esempio 1, se vuoi che POV-Ray produca un'immagine quadrata, " #~ "per esempio 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Collega" #~ msgid "Disconnect" #~ msgstr "Scollega" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Tracciamento Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Traccia il movimento utilizzando telecomandi Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contesto OpenGL non valido.\n" #~ "Può trattarsi di un errore nel setup di OpenGL (puoi eseguire " #~ "applicazioni OpenGL?), altrimenti hai trovato un bug." #~ msgid "Debug Information" #~ msgstr "Informazioni di debug" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Visualizza dimensione: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomi: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Il tipo di file '%1' non è supportato per la lettura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Il tipo di file per il file '%1' non è supportato per la lettura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Lettura della molecola con indice %1 dal file '%2' fallita." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Il tipo di file '%1' non è supportato per la scrittura." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Il tipo di file per il file '%1' non è supportato per la scrittura." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Non è stato possibile aprire il file '%1' in lettura" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Sostituzione della molecola con indice %1 nel file '%2' fallita." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Il file %1 non può essere aperto per la lettura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Il file %1 non può essere aperto per la scrittura." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Salvataggio del file molecolare fallito - non è stato possibile " #~ "rinominare il file originale." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Salvataggio del file molecolare fallito - non è stato possibile " #~ "rinominare il nuovo file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Salvataggio del file molecolare fallito - non è stato possibile rimuovere " #~ "il vecchio file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Scrittura di una molecola nel file '%1' fallita. Funzione OpenBabel " #~ "fallita." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Il file %1 non può essere aperto per la scrittura." #~ msgid "Molecule %1" #~ msgstr "Molecola %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motore Python sconosciuto" #~ msgid "N/A" #~ msgstr "N/D" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: controllo in corso " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - lo script non ha una classe «Engine» definita" #~ msgid " - no module" #~ msgstr " - nessun modulo" #~ msgid "Unknown Python Extension" #~ msgstr "Estensione Python sconosciuta" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: controllo in corso " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - lo script non ha una classe «Extension» definita" #~ msgid "Unknown Python Tool" #~ msgstr "Strumento Python sconosciuto" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: controllo in corso " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - lo script non ha una classe «Tool» definita" #~ msgid "Tools" #~ msgstr "Strumenti" #~ msgid "Align:" #~ msgstr "Allinea:" #~ msgid "Everything" #~ msgstr "Tutto" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Impossibile definire il campo di forza..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Numero di vincoli: %1" #~ msgid "Steps per Update:" #~ msgstr "Passaggi per l'aggiornamento:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamiche molecolari (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamiche molecolari (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Gli atomi fissi si possono spostare" #~ msgid "Ignored atoms are movable" #~ msgstr "Gli atomi ignorati si possono spostare" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecola" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Ottimizzazione automatica della geometria molecolare" #~ msgid "AutoOptimization Settings" #~ msgstr "Impostazioni di ottimizzazione automatica" #~ msgid "Auto Rotation Tool" #~ msgstr "Strumento di Auto Rotazione" #~ msgid "x rotation:" #~ msgstr "rotazione sull'asse x:" #~ msgid "x rotation" #~ msgstr "rotazione sull'asse x" #~ msgid "y rotation:" #~ msgstr "rotazione sull'asse y:" #~ msgid "y rotation" #~ msgstr "rotazione sull'asse y" #~ msgid "z rotation:" #~ msgstr "rotazione sull'asse z:" #~ msgid "z rotation" #~ msgstr "rotazione sull'asse z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotazione automatica delle molecole" #~ msgid "AutoRotate Settings" #~ msgstr "Impostazioni della rotazione automatica" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Lunghezza del legame :%L1" #~ msgid " Show Angles" #~ msgstr " Mostra gli angoli" #~ msgid "Snap-to Threshold: " #~ msgstr "Soglia Snap-to: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipola il legame centrico" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distanza (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distanza (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angolo diedrico: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distanza(-e)" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Misura le lunghezze dei legami, degli angoli e dei diedri" #~ msgid "Draw Bond" #~ msgstr "Disegna legame" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Disegna e modifica atomi e legami" #~ msgid "Draw Settings" #~ msgstr "Impostazioni di disegno" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Traslare, ruotare e regolare gli atomi e i frammenti" #~ msgid "Manipulate Settings" #~ msgstr "Impostazioni di manipolazione" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasla, ruota e zooma intorno alla vista corrente" #~ msgid "Navigate Settings" #~ msgstr "Naviga le impostazioni" #~ msgid "Selection Mode:" #~ msgstr "Modalità di selezione:" #~ msgid "Atom/Bond" #~ msgstr "Atomo/Legame" #~ msgid "Residue" #~ msgstr "Residuo" #~ msgid "Add Center of Atoms" #~ msgstr "Aggiungi il centro degli atomi" #~ msgid "Change color of the atom" #~ msgstr "Cambia il colore dell'atomo" #~ msgid "Change label of the atom" #~ msgstr "Cambia l'etichetta dell'atomo" #~ msgid "Change label of the bond" #~ msgstr "Cambia l'etichetta del legame" #~ msgid "Change radius of the atom" #~ msgstr "Cambia il raggio dell'atomo" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nuovo raggio, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Seleziona atomi, residui e molecole" #~ msgid "Symbol" #~ msgstr "Simbolo" #~ msgid "Bond Length" #~ msgstr "Lunghezza del legame" #~ msgid "Dihedral Angle" #~ msgstr "Angolo diedrico" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor della matrice Z..." #~ msgid "Z-Matrix" #~ msgstr "Matrice Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crea/modifica una matrice z" #~ msgid "Z-Matrix Settings" #~ msgstr "Impostazioni della matrice z" #~ msgid "Color residues by:" #~ msgstr "Colora i residui con:" #~ msgid "Hydrophobicity" #~ msgstr "Idrofobicità" #~ msgid "Axes:" #~ msgstr "Assi:" #~ msgid "Cartesian Axes" #~ msgstr "Assi cartesiani" #~ msgid "Orthogonal Axes" #~ msgstr "Assi ortogonali" #~ msgid "Axis 1:" #~ msgstr "Asse 1:" #~ msgid "Axis 2:" #~ msgstr "Asse 2:" #~ msgid "Axis 3:" #~ msgstr "Asse 3:" #~ msgid "Norm" #~ msgstr "Norme" #~ msgid "Preserve vector norms" #~ msgstr "Preserva le norme vettoriali" #~ msgid "Atom Radius:" #~ msgstr "Raggio Atomico:" #~ msgid "Bond Radius:" #~ msgstr "Raggio del legame:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom Vector" #~ msgstr "Vettore personalizzato" #~ msgid "Custom:" #~ msgstr "Personalizzato:" #~ msgid "Cut-off radius:" #~ msgstr "Raggio di Cut-off:" #~ msgid "Cut-off angle:" #~ msgstr "Raggio di Cut-off" #~ msgid "Rendering Engine:" #~ msgstr "Motore di interpretazione:" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Testo:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbolo & numero nel gruppo" #~ msgid "Symbol & Atom number" #~ msgstr "Simbolo & Numero atomico" #~ msgid "Partial charge" #~ msgstr "Carica parziale" #~ msgid "Residue number" #~ msgstr "Residuo numero" #~ msgid "Custom data" #~ msgstr "Dati personalizzati" #~ msgid "Change Font" #~ msgstr "Cambia carattere" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Scorrimento dell'etichetta:" #~ msgid "Bond length" #~ msgstr "Lunghezza del legame" #~ msgid "Bond number" #~ msgstr "Numero del legame" #~ msgid "Bond order" #~ msgstr "Ordine del legame" #~ msgid "Radius:" #~ msgstr "Raggio:" #~ msgid "Include Nitrogens" #~ msgstr "Includi Azoto" #~ msgid "VdW Opacity:" #~ msgstr "Opacità VdW:" #~ msgid "Orbital:" #~ msgstr "Orbitale:" #~ msgid "Render:" #~ msgstr "Resa:" #~ msgid "Fill" #~ msgstr "Riempi" #~ msgid "Points" #~ msgstr "Punti" #~ msgid "Draw Box:" #~ msgstr "Disegna Scatola:" #~ msgid "Mapped Colors" #~ msgstr "Colori mappati" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostra gli atomi" #~ msgid "Animate Trajectory" #~ msgstr "Anima traiettoria" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Save as .avi..." #~ msgstr "Salva come .avi..." #~ msgid "Angstroms" #~ msgstr "Angstrom" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "Fractional" #~ msgstr "Frazionale" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, solo coordinate" #~ msgid "GAMESS Input #2" #~ msgstr "Input #2 GAMESS" #~ msgid "Priroda Input" #~ msgstr "Input Priroda" #~ msgid "Apply Changes" #~ msgstr "Applica i cambiamenti" #~ msgid "Cut All" #~ msgstr "Taglia tutto" #~ msgid "Paste to the End" #~ msgstr "Incolla alla fine" #~ msgid "(None)" #~ msgstr "(Niente)" #~ msgid "Sort by " #~ msgstr "Ordina per " #~ msgid "Number of atoms:" #~ msgstr "Numero di Atomi:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Numero di legami ruotabili:" #~ msgid "Ignore Atom" #~ msgstr "Ignora Atomo" #~ msgid "Fix Atom" #~ msgstr "Fissa Atomo" #~ msgid "Fix Atom X" #~ msgstr "Fissa Atomo X" #~ msgid "Fix Atom Y" #~ msgstr "Fissa Atomo Y" #~ msgid "Fix Atom Z" #~ msgstr "Fissa Atomo Z" #~ msgid "Torsion angle" #~ msgstr "Angolo di Torsione" #~ msgid "Save" #~ msgstr "Salva" #~ msgid "Load" #~ msgstr "Carica" #~ msgid "Atomic &identites:" #~ msgstr "&Identità atomiche:" #~ msgid "Plane:" #~ msgstr "Piano:" #~ msgid "&Miller Indices:" #~ msgstr "Indici &Miller:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Attenzione: Usare Indici Miller diversi da zero" #~ msgid "Width (x)" #~ msgstr "Larghezza (x)" #~ msgid "Width (y)" #~ msgstr "Larghezza (y)" #~ msgid "Height (z)" #~ msgstr "Altezza (z)" #~ msgid "length" #~ msgstr "lunghezza" #~ msgid "by arbitrary vector" #~ msgstr "da vettore arbitrario" #~ msgid "Translation vector:" #~ msgstr "Vettore di trasformazione:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Unità &vettoriali:" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "&Translate" #~ msgstr "&Trasforma" #~ msgid "Crystal View Options" #~ msgstr "Opzioni vista cristallo" #~ msgid "One" #~ msgstr "Uno" #~ msgid "All" #~ msgstr "Tutti" #~ msgid "Color..." #~ msgstr "Colore..." #~ msgid "View Along:" #~ msgstr "Vista avanti:" #~ msgid "Default View" #~ msgstr "Vista Predefinita" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Indici di Miller" #~ msgid "File Import..." #~ msgstr "Importa file..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Provare a intuire i legami?" #~ msgid "Setup Force Field" #~ msgstr "Installa il campo di forza" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Numero di passi" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Elica alpha" #~ msgid "Beta Sheet" #~ msgstr "Foglio beta" #~ msgid "Pi Helix" #~ msgstr "Elica Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Numero di residui:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento dipolare (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avanzate" #~ msgid "Control" #~ msgstr "Controllo" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Griglia" #~ msgid "POV-Ray Export" #~ msgstr "Esporta POV-Ray" #~ msgid "Select..." #~ msgstr "Seleziona..." #~ msgid "povray" #~ msgstr "POV-Ray" #~ msgid "Use full scene antialiasing" #~ msgstr "Usa un antialiasing su tutta il contesto" #~ msgid "Antialias" #~ msgstr "Anti-Aliasing" #~ msgid "Set the background color to be transparent" #~ msgstr "Modifica il colore dello sfondo su trasparente" #~ msgid "Alpha transparency" #~ msgstr "Trasparenza alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Mostra la molecola direttamente usando la linea di comando POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "" #~ "Mantieni la sorgente POV-Ray dopo che il rendering è stato completato" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Mantieni la sorgente POV-Ray dopo il rendering" #~ msgid "Path:" #~ msgstr "Percorso:" #~ msgid "Abinit Input" #~ msgstr "Input di Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesiane (Angstrom)" #~ msgid "Reduced" #~ msgstr "Ridotte" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolleranza sulle forze(Ha/bohr):" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Numero di bande:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Schema di occupazione:" #~ msgid "SCF tolerance type:" #~ msgstr "Tipo di tolleranza SCF:" #~ msgid "Maximum Force" #~ msgstr "Forza massima" #~ msgid "Relative Force" #~ msgstr "Forza relativa" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconduttori" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Calcola..." #~ msgid "Dalton Input" #~ msgstr "Input Dalton" #~ msgid "Basics" #~ msgstr "Informazioni di base" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Stile Pople" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funzioni relative al nucleo" #~ msgid "Diffuse functions" #~ msgstr "Funzioni di diffusione" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Diretto" #~ msgid "Parallel" #~ msgstr "Parallelo" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Specificazione della griglia" #~ msgid "Partitioning Scheme:" #~ msgstr "Schema di suddivisione:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (originale)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Qualità della griglia:" #~ msgid "coarse" #~ msgstr "grezza" #~ msgid "normal" #~ msgstr "normale" #~ msgid "fine" #~ msgstr "buona" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Schema radiale:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostra tutti i funzionali" #~ msgid "Property:" #~ msgstr "Proprietà:" #~ msgid "Polarizability" #~ msgstr "Polarizzabilità" #~ msgid "Frequency Dependent" #~ msgstr "Dipendente dalla frequenza" #~ msgid "No. excitations:" #~ msgstr "Numero di eccitazioni:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Etichetta di Gruppo:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Setup &Avanzato" #~ msgid "Hessian" #~ msgstr "Hessiano" #~ msgid "Stat Point" #~ msgstr "Punto Stazionario" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Guess MO" #~ msgid "Misc" #~ msgstr "Varie" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funzioni di Polarizzazione Atomi Pesanti:" #~ msgid "Read" #~ msgstr "Leggi" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Shell s diffuse su Atomi Pesanti" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Shell l diffuse su Atomi Pesanti" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "DZ Binning/Curtis" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo ECP:" #~ msgid "Default" #~ msgstr "Predefinito" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funzioni di Polarizzazione su Atomi Pesanti:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Funzioni di Polarizzazione per atomi Leggeri:" #~ msgid "Polar:" #~ msgstr "Polare:" #~ msgid "Max SCF Iterations:" #~ msgstr "Numero massimo si cicli SCF:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Escursione" #~ msgid "Saddle Point" #~ msgstr "Punto di Sella" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Estremo Gradiente" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transizione del momento radiante." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbitale" #~ msgid "Finite Electric Field" #~ msgstr "Campo Finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Ottimizzazione globale" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Ottimizzazione FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensità Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo di SCF:" #~ msgid "Localization Method:" #~ msgstr "Metodo di Localizzazione:" #~ msgid "Exec Type:" #~ msgstr "Tipo Di Eseguibile:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearized CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Esecuzione Normale" #~ msgid "Check" #~ msgstr "Verifica" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Carica della Molecola:" #~ msgid "Run Type:" #~ msgstr "Tipo di calcolo:" #~ msgid "Use MP2" #~ msgstr "Usa MP2" #~ msgid "Use DFT" #~ msgstr "Usa DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# di variabili Z-Matrix" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordine degli assi principali:" #~ msgid "Coordinate Type:" #~ msgstr "Tipo di Coordinate" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordinate Cartesiane uniche." #~ msgid "Hilderbrant internals" #~ msgstr "Interne di Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "matrice-Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Sfrutta la simmetria durante il Calcolo" #~ msgid "Point Group:" #~ msgstr "Gruppo Punto:" #~ msgid "Minutes" #~ msgstr "Minuti" #~ msgid "Hours" #~ msgstr "Ore" #~ msgid "Days" #~ msgstr "Giorni" #~ msgid "Weeks" #~ msgstr "Settimane" #~ msgid "Years" #~ msgstr "Anni" #~ msgid "Millenia" #~ msgstr "Millenni" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forza Metodi Paralleli" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produci il file \"core\" in caso di abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Metodo do Diagonalizzazione" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipo di bilanciamento a carica parallela" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Valore successivo" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Usa la rappresentazione di dati esterni per i messaggi" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Letti ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Salvati (DICTNRY)" #~ msgid "Skip" #~ msgstr "Salta" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Ruota gli Orbitali Alfa e Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Stampa il Guess Iniziale" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfaccia di GAMESS con Altri Codici" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forza un Controlla Tipo Di Avvio" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Solvate with Water" #~ msgstr "Solvata con Acqua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genera gli orbitali naturali UHF" #~ msgid "Direct SCF" #~ msgstr "SCF Diretto" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calcola solo i cambiamenti nella Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Scambio di Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: corrrelazione Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: correlazione di Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: scambio di Slater + correlazione VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: scambio di BECKE + correlazione VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: scambio di BECKE + correlazione LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "scambio Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "scambio Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: correlazione One-parameter Progressive" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: scambio SLATER + correlazione Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: scambio di SLATER + correlazione OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: scambio di BECKE + correlazione OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: scambio di GILL + correlazione VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: scambio di GILL +correlazione LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: scambio PBE exchange + correlazione VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: scambio PBE + correlazione LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: scambio PBE + correlazione OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: scambio HF e BECKE + correlazione LYP" #~ msgid "Grid-Free" #~ msgstr "Libero-Da-Griglie" #~ msgid "DFT Functional:" #~ msgstr "Funzionale DFT:" #~ msgid "AO Integral Storage" #~ msgstr "Salvataggio degli Integrali" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplica su tutti i Nodi" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuisci su tutti i Nodi" #~ msgid "words" #~ msgstr "parole" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcola le proprietà MP2" #~ msgid "Use Localized Orbitals" #~ msgstr "Usa Orbitali localizzati" #~ msgid "# of Core Electrons:" #~ msgstr "# di Elettroni di Core:" #~ msgid "Transformation Method" #~ msgstr "Metodo di Trasformazione" #~ msgid "Segmented Transformation" #~ msgstr "Trasformazione Segmentata" #~ msgid "Numeric" #~ msgstr "Numerico" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiano da Differenze Doppie" #~ msgid "Print Internal Force Constants" #~ msgstr "Stampa le Costanti di Forza Interne" #~ msgid "Displacement Size:" #~ msgstr "Dimensione dello Spostamento" #~ msgid "Purify Hessian" #~ msgstr "Purifica l'Hessiano" #~ msgid "Frequency Scale Factor:" #~ msgstr "Fattore di Scala delle Frequenze:" #~ msgid "bohrs" #~ msgstr "bohr" #~ msgid "Initial Hessian" #~ msgstr "Hessiano Iniziale" #~ msgid "Guess (+ define)" #~ msgstr "Supposizione (+ definizione)" #~ msgid "Read (from $HESS)" #~ msgstr "Leggi (da $HESS)" #~ msgid "Update Step Size" #~ msgstr "Aggiorna il Passo" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Stampa gli Orbitali ad ogni Ciclo" #~ msgid "Stationary Point" #~ msgstr "Punto Stazionario" #~ msgid "Initial:" #~ msgstr "Iniziale:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Ottimizzazione della funzione razionale" #~ msgid "Quadratic Approximation" #~ msgstr "Approssimazione Quadratica" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Ottimizzazione con vincoli" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Ricalcola Hessiano Ogni:" #~ msgid "Follow Mode:" #~ msgstr "Modalità Seguire:" #~ msgid "GAMESS-UK Input" #~ msgstr "Input GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Input GAMESS-UK generato da Avogadro" #~ msgid "Transition State Search" #~ msgstr "Ricerca dello stato di transizione" #~ msgid "Basis:" #~ msgstr "Set Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matrice-Z" #~ msgid "Run in direct mode:" #~ msgstr "Esegui in modalità diretta:" #~ msgid "Gaussian Input" #~ msgstr "Input Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrice-Z (compatto)" #~ msgid "MOLPRO Input" #~ msgstr "Input MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versione di Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartetto" #~ msgid "Quintet" #~ msgstr "Quintetto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Input NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Input Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "sì" #~ msgid "Dispersion:" #~ msgstr "Dispersione:" #~ msgid "Load Shaders" #~ msgstr "Carica ombreggiatori" #~ msgid "Shader Name:" #~ msgstr "Nome dell'ombreggiatore" #~ msgid "Vertex Shader:" #~ msgstr "Ombreggiatore Vertex" #~ msgid "Fragment Shader:" #~ msgstr "Ombreggiatore dei frammenti" #~ msgid "Assign Shader" #~ msgstr "Assegna shader" #~ msgid "Display Type:" #~ msgstr "Tipo di visualizzazione:" #~ msgid "Font:" #~ msgstr "Carattere:" #~ msgid "Change Font..." #~ msgstr "Cambia carattere..." #~ msgid "New..." #~ msgstr "Nuovo..." #~ msgid "Rename..." #~ msgstr "Rinomina..." #~ msgid "&Schemes:" #~ msgstr "&Schemi:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Larghezza:" #~ msgid "&Height" #~ msgstr "&Altezza" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Regola automaticamente la dimensione del c&arattere" #~ msgid "Spectra Tab" #~ msgstr "Scheda degli spettri" #~ msgid "&Gaussian Width:" #~ msgstr "Larghezza &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "Cime dell'&etichetta" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipo di forza rotatoria:" #~ msgid "Energy units:" #~ msgstr "Unità di energia:" #~ msgid "Density units" #~ msgstr "Unità di densità" #~ msgid "Fermi Energy: " #~ msgstr "Energia di Fermi: " #~ msgid "States / Cell" #~ msgstr "Stati / Cellule" #~ msgid "States / Atom" #~ msgstr "Stati / Atomi" #~ msgid "States / Valence electron" #~ msgstr "Stati / Elettroni di valenza" #~ msgid "Fermi energy at zero" #~ msgstr "Energia di Fermi a zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scala il DOS integrato" #~ msgid "Show integrated DOS" #~ msgstr "Mostra il DOS integrato" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unità di asse &Y:" #~ msgid "Relative" #~ msgstr "Relativo" #~ msgid "Laser Wavenumber:" #~ msgstr "Numero di onde laser:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleo:" #~ msgid "Gaussian &Width:" #~ msgstr "&Larghezza Gaussian:" #~ msgid "Label Peaks:" #~ msgstr "Cime dell'etichetta:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibrazioni molecolari" #~ msgid "Filter: " #~ msgstr "Filtro: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Mostra spettri..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "più le frequenze di vibrazione sono alte più veloci sono gli spostamenti" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocità dell'animazione determinata dalla frequenza" #~ msgid "Display force &vectors" #~ msgstr "Visualizza i &vettori di forza" #~ msgid "&Normalize displacements" #~ msgstr "&Normalizza sostituzioni" #~ msgid "&Recalculate All" #~ msgstr "&Ricalcola tutto" #~ msgid "Default &Quality:" #~ msgstr "&Qualità predefinita" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostra prima gli orbitali occupati" #~ msgid "Surface Type:" #~ msgstr "Tipo di superficie:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Bassa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Media" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Molto alta" #~ msgid "New Display" #~ msgstr "Nuova visualizzazione" #~ msgid "Advanced..." #~ msgstr "Avanzato..." #~ msgid "&Length:" #~ msgstr "&Lunghezza:" #~ msgid "Uni&t:" #~ msgstr "Uni&tà:" #~ msgid "periodic units" #~ msgstr "unità periodiche" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "nanometers" #~ msgstr "nanometri" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap con idrogeno" #~ msgid "Find &double bonds" #~ msgstr "Trova i &doppi legami" #~ msgid "Display visual cues" #~ msgstr "Visualizza i segnali visivi" #~ msgid "Python Settings" #~ msgstr "Impostazioni di Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor di matrici Z" OpenChemistry-avogadrolibs-ceb949f/i18n/ja.po000066400000000000000000014441311516317240700212130ustar00rootroot00000000000000# Japanese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Eisuke Kawashima , 2021, 2022, 2023, 2024, 2025, 2026. # Chiyu Liang <532117255@qq.com>, 2023. # LibreTranslate , 2024, 2025. # Weblate Translation Memory , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-15 19:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Japanese \n" "Language: ja\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "バッチジョブ #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "メッセージが指定されていません。" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "文字列でない警告が返却されました。" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' メンバーは配列ではありません." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "参照ファイル'%1'は存在しません。" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "ファイル%1の生成でエラー: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "不正なファイルエントリー: filename/contents が見つからないか、文字列ではあり" "ません:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' メンバーが配列ではありません." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' メンバーが見つかりません。" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' メンバーは文字列でなければなりません。" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "スクリプト出力:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "オフセット %L1 で解析エラー: '%2'\n" "生のJSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "分子表現を文字列に保存する際にエラー: 認識できないファイルフォーマット: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "分子表現を文字列に保存する際にエラー: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "cjsonオブジェクトの生成でエラー: オフセット %1 で解析エラー: %2\n" "生のJSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1インプットジェネレータ" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "続ける" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "閉じる" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "不明" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "以下のファイルが変更されました:\n" "\n" "%1\n" "\n" "変更を上書きして新しい構造やジョブオプションを反映しますか？" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "編集されたインプットファイルを上書きしますか？" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "インプット生成時に問題が発生しました:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "保存するインプットファイルがありません！" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "MoleQueueに接続できません" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "MoleQueueサーバに接続できません。起動していることを確認し、もう一度試してくだ" "さい。" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "%1の計算を投入" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "ジョブ失敗" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "ジョブは正常に完了しませんでした。" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "スクリプトからの警告:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "警告を隠す (&W)" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "警告を表示する (&W)" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "エラーが起きました:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "出力ファイル名を選択" #: molequeue/inputgeneratorwidget.cpp:470 #, fuzzy, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "内部エラー: ファイル名 '%1' のためのテキストウィジェットを見つけられませんで" "した。" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "出力エラー" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "ファイル %1 の書き込みに失敗しました。" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "アウトプットディレクトリーを選択" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: ディレクトリーが存在しません！" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: ディレクトリーの読み込みができません！" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: ファイルが上書きされます。" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: ファイルの書き込みができません。" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "未知のエラーによりファイルを書き込みできません。" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "インプットファイルを書き込みできません:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "インプットファイルを書き込みできません:\n" "\n" "%1\n" "\n" "警告:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "警告:\n" "\n" "%1\n" "\n" "続けますか？" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "入力ファイルの書き込み" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "ジョブの設定" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "MoleQueueにジョブを投入中…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "ジョブの投入がタイムアウト" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "MoleQueueからの応答を待っている間にAvogadroはタイムアウトしました。" #: molequeue/molequeuedialog.cpp:83 #, fuzzy, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "ジョブ %1 “%2” が完了するのを待機中…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "待機をやめる" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "完了したジョブの情報を取得しています…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "ジョブの投入でエラー" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueueにジョブは拒否されました: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "プログラムが選択されていません。" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 #, fuzzy msgid "Internal error." msgstr "内部エラー。" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "左右に分割" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "上下に分割" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "水素" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "ヘリウム" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "リチウム" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "ベリリウム" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "ホウ素" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "炭素" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "窒素" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "酸素" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "フッ素" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "ネオン" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "ナトリウム" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "マグネシウム" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "アルミニウム" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "ケイ素" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "リン" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "硫黄" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "塩素" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "アルゴン" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "カリウム" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "カルシウム" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "スカンジウム" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "チタン" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "バナジウム" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "クロム" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "マンガン" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "鉄" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "コバルト" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "ニッケル" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "銅" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "亜鉛" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "ガリウム" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "ゲルマニウム" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "ヒ素" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "セレン" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "臭素" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "クリプトン" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "ルビジウム" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "ストロンチウム" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "イットリウム" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "ジルコニウム" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "ニオブ" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "モリブデン" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "テクネチウム" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "ルテニウム" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "ロジウム" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "パラジウム" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "銀" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "カドミウム" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "インジウム" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "スズ" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "アンチモン" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "テルル" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "ヨウ素" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "キセノン" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "セシウム" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "バリウム" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "ランタン" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "セリウム" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "プラセオジム" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "ネオジム" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "プロメチウム" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "サマリウム" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "ユウロピウム" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "ガドリニウム" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "テルビウム" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "ジスプロシウム" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "ホルミウム" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "エルビウム" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "ツリウム" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "イッテルビウム" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "ルテチウム" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "ハフニウム" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "タンタル" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "タングステン" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "レニウム" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "オスミウム" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "イリジウム" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "白金" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "金" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "水銀" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "タリウム" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "鉛" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "ビスマス" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "ポロニウム" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "アスタチン" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "ラドン" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "フランシウム" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "ラジウム" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "アクチニウム" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "トリウム" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "プロトアクチニウム" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "ウラン" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "ネプツニウム" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "プルトニウム" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "アメリシウム" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "キュリウム" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "バークリウム" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "カルホルニウム" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "アインスタイニウム" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "フェルミウム" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "メンデレビウム" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "ノーベリウム" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "ローレンシウム" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "ラザホージウム" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "ドブニウム" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "シーボーギウム" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "ボーリウム" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "ハッシウム" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "マイトネリウム" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "ダルムスタチウム" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "レントゲニウム" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "コペルニシウム" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "ニホニウム" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "フレロビウム" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "モスコビウム" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "リバモリウム" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "テネシン" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "オガネソン" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "参照" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "ファイルを選択:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "実行ファイルを選択:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "選択したファイルに対して適切なリーダーを見つけられません。" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "ファイルの拡張子がないため、フォーマットを決定できません。 追加しますか？" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "選択したファイルフォーマットに対して適切なライターを見つけられません。" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "リーダー" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "全てのファイル" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "サポートされているすべてのフォーマット" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "分子表現の読み込みでエラー: 認識できないファイルフォーマット: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1メッセージ" #: qtgui/interfacescript.cpp:343 #, fuzzy, qt-format msgid "%1 Warning" msgstr "%1 警告" #: qtgui/interfacescript.cpp:350 #, fuzzy, qt-format msgid "%1 Error" msgstr "%1 エラー" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "分子表現を文字列に書き出しす際にエラー: 認識できないファイルフォーマット: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' が見つかりません。" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "オプション '%1' が見つかりません。" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "タイトル" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "プロセッサコア" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "メモリ" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "計算のタイプ" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "理論" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "基底" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "電荷" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "多重度" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "溶媒" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "模型" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "ユーザ名" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "パスワード" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[分子なし]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "レイヤー %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "ボールとスティック" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "カートゥーン" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "結晶格子" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "力" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "ラベル" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "リコリス" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "表面" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "非共有" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "対称要素" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "ファンデルワールス" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "ファンデルワールス (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "ワイヤーフレーム" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 #, fuzzy msgid "Reference Axes" msgstr "参照軸" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "無題" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "分子の編集" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "未保存" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "新しいビューを作る" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "周期表" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "パッケージモードにはpixiが必要ですが見つかりませんでした。" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "警告 '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "スクリプトの開始に失敗しました。" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "スクリプトがクラッシュしました。" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "スクリプトがタイムアウトしました。" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "読み込みエラー。" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "書き込みエラー。" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "不明なエラー。" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "レイヤーの編集" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "レイヤーの削除" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "レイヤー情報の削除" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "レイヤーの追加" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "レイヤー情報の追加" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "レイヤーの変更" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "原子を追加" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "原子を削除" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "原子をクリア" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "自動的に水素を付加" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "元素を変更" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "元素を変更" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "原子の混成を変更" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "原子の形式電荷を変更" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "原子の色を変更" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "残基の色を変更" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "原子のレイヤーを変更" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "結合を追加" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "結合を削除" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "結合をクリア" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "結合次数を設定" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "結合次数を変更" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "結合の更新" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "結合の更新" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "ユニットセルの追加…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "ユニットセルを削除" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "ユニットセルを編集" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "原子をセルに移動" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "セル体積の拡大縮小" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "スーパーセルの構築" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "ニグリ簡約" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "標準配向に回転" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "基本胞に既約化" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "慣用胞に変換" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "セルを対称化" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "非対称単位にセルを縮約" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "原子の位置を変更" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "原子の位置を変更" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "原子のラベルを変更" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "結合ラベルの変更" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "選択を変更" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "分子の編集" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "設定" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "計算中…" #: qtgui/timedprogressdialog.cpp:79 #, fuzzy msgid "Less than a second remaining" msgstr "間もなく完了" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "残り%n秒" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "残り%n分" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "残り1時間%n分" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "残り%n時間" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTMLブロック。" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "ファイル (&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "エクスポート (&E)" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "元素の変更…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "ビルド (&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "元素:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchemy" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "原子の元素を変更" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "アラインメント" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "分子のアラインメント\n" "\n" "左ボタン:\t最大二つの原子を選択\n" "\t最初の原子が座標の原点\n" "\t次の原子が選択した座標軸上にアラインメントされる\n" "右ボタン:\tアラインメントをリセット\n" "ダブルクリック: \t原子を原点に" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "座標軸:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "原点にアラインする" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "軸にアラインする" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "選択原子を原点に" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "指定した軸に原子を合わせるために分子を回転させます。" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "アラインツール" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "分子を座標軸に沿ってアラインメント" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBSを実行…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "出力ファイルを開く…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "インプット (&I)" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "出力ファイルを開く" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDXファイル(*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IOエラー" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "構造ファイル (%1) の読み込みでエラー" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDXエラー" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "OpenDXファイルの読み込みでエラー: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "OpenDXファイルの読み込みでエラー: キューブが見つかりません" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 #, fuzzy msgid "Interact with APBS utilities." msgstr "APBSユーティリティと対話" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDBファイルを開く" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDBファイル(*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQRファイルを開く" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQRファイル(*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "エラー" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APBSの実行でエラー: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "PDBファイルを指定してください" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "成功" #: qtplugins/apbs/apbsdialog.cpp:162 #, fuzzy, qt-format msgid "Generated %1" msgstr "%1を生成" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "PDB2PQRの実行でエラー" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBSインプットファイルを保存" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBSインプット (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "インプットファイルを '%1' に書き込み" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "ファイル %1 を保存できません。" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "カスタムカラー…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "原子のインデックス…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "距離…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "元素" #: qtplugins/applycolors/applycolors.cpp:73 #, fuzzy msgid "By Chain" msgstr "チェーン" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "部分電荷…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "二次構造" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "アミノ酸" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 #, fuzzy msgctxt "colormap" msgid "Heat" msgstr "ヒート" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 #, fuzzy msgctxt "colormap" msgid "Hot" msgstr "ホット" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 #, fuzzy msgctxt "colormap" msgid "Gray" msgstr "グレー" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 #, fuzzy msgctxt "colormap" msgid "Magma" msgstr "マグマ" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 #, fuzzy msgctxt "colormap" msgid "Inferno" msgstr "インフェルノ" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 #, fuzzy msgctxt "colormap" msgid "Plasma" msgstr "プラズマ" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 #, fuzzy msgctxt "colormap" msgid "Viridis" msgstr "ヴィリディス" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 #, fuzzy msgctxt "colormap" msgid "Cividis" msgstr "シヴィディウス" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "スペクトル" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 #, fuzzy msgctxt "colormap" msgid "Coolwarm" msgstr "クールウォーム" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "バランス" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 #, fuzzy msgctxt "colormap" msgid "Blue-DarkRed" msgstr "ブルー・ダークレッド" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 #, fuzzy msgctxt "colormap" msgid "Turbo" msgstr "ターボ" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "原子と残基にカラースキームを適用します。" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "表示 (&V)" #: qtplugins/applycolors/applycolors.cpp:153 #, fuzzy msgid "Color Atoms" msgstr "原子の色付け" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "残基の色付け" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "カラーマップを選択" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "カラーマップ:" #: qtplugins/applycolors/applycolors.cpp:225 #, fuzzy msgid "Apply Index Colors" msgstr "インデックスの色を適用" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "電荷の色を適用" #: qtplugins/applycolors/applycolors.cpp:327 #, fuzzy msgid "Apply Distance Colors" msgstr "距離の色を適用" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "原子の色をリセット" #: qtplugins/applycolors/applycolors.cpp:379 #, fuzzy msgid "Apply Custom Color" msgstr "カスタムした色を適用" #: qtplugins/applycolors/applycolors.cpp:416 #, fuzzy msgid "Apply Custom Residue Color" msgstr "カスタムした残基の色を適用" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "残基の色をリセット" #: qtplugins/applycolors/applycolors.cpp:474 #, fuzzy msgid "Apply Secondary Structure Colors" msgstr "二次構造の色を適用" #: qtplugins/applycolors/applycolors.cpp:562 #, fuzzy msgid "Apply Amino Acid Colors" msgstr "アミノ酸の色を適用" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "色を適用" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "自動最適化" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "最適化" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "動力学" #: qtplugins/autoopt/autoopt.cpp:210 #, fuzzy msgid "Task:" msgstr "タスク:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "手法:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "温度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "時間幅:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "開始" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "停止" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "構造最適化" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "分子動力学" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "自動最適化ツール" #: qtplugins/autoopt/autoopt.h:49 #, fuzzy msgid "Interactive optimization of molecular geometry" msgstr "分子構造の対話的最適化" #: qtplugins/ballandstick/ballandstick.cpp:107 #, fuzzy msgid "Atom scale" msgstr "原子スケール" #: qtplugins/ballandstick/ballandstick.cpp:116 #, fuzzy msgid "Bond scale" msgstr "結合スケール" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "不透明度" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "多重結合を表示" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "水素を表示" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "原子を球、結合を筒として表示する。" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "結合中心操作" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "結合中心操作ツール\t(%1)\n" "\n" "左ボタン:\tクリック&ドラッグでビューを回転\n" "中ボタン:\tクリック&ドラッグで拡大・縮小\n" "右ボタン:\tクリック&ドラッグでビューを移動\n" "ダブルクリック:\t表示をリセット\n" "\n" "結合を左クリック&ドラッグで操作平面を設定:\n" "結合している原子を左クリック&ドラッグで結合角を変更\n" "結合している原子を右クリック&ドラッグで結合長を変更" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "結合中心操作ツール" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "結合長や結合角を変えて分子構造を編集するツールです。" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "結合次数を読み込む" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "結合を削除" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "選択した原子を結合" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "結合" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "すべて、あるいは選択した原子から結合を削除。" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "すべて、または選択した原子の間に結合を作成。" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "結合次数を読み込む。" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "バックボーン" #: qtplugins/cartoons/cartoons.cpp:93 #, fuzzy msgctxt "protein rendering style" msgid "Trace" msgstr "トレース" #: qtplugins/cartoons/cartoons.cpp:94 #, fuzzy msgctxt "protein rendering style" msgid "Tube" msgstr "チューブ" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "リボン" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "簡単なカートゥーン" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "カートゥーン" #: qtplugins/cartoons/cartoons.cpp:98 #, fuzzy msgctxt "protein rendering style" msgid "Rope" msgstr "ロープ" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "幾何中心を追加" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "質量中心を追加" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "法線上の点を追加" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "幾何中心 (centroid)" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "幾何中心と質量中心を追加する。" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "最大距離:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "線幅:" #: qtplugins/closecontacts/closecontacts.cpp:258 #, fuzzy msgid "Contact" msgstr "接触" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "塩橋" #: qtplugins/closecontacts/closecontacts.cpp:264 #, fuzzy msgid "Repulsive" msgstr "反発" #: qtplugins/closecontacts/closecontacts.h:36 #, fuzzy msgid "Render close contacts between atoms." msgstr "原子間の接触を表示。" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "エクステンション (&E)" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "スクリプト" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "%1を処理中" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Pythonインタープリタへのパスを設定:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "コマンドスクリプト" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "外部スクリプトコマンドの実行" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Pythonの設定…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Pythonをインストール" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Avogadroの機能の多くはPythonを使用しています。Pythonをダウンロードしますか？" #: qtplugins/configurepython/configurepython.h:26 #, fuzzy msgid "ConfigurePython" msgstr "Pythonの設定" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Python環境の設定。" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "その他…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "拘束条件…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "計算 (&C)" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "拘束条件" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "構造最適化の拘束条件を設定" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "距離" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "角度" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 #, fuzzy msgid "Torsion Angle" msgstr "二面角" #: qtplugins/constraints/constraintsmodel.cpp:68 #, fuzzy msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "原子を固定" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "タイプ" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "値" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "原子1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "原子2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "原子3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "原子4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "原子座標エディタ (&C)…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "デカルト座標エディタ" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "変更を上書きしますか？" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "不正な元素名" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "元素名" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "不正な元素記号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "元素記号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "不正な原子ラベル。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 #, fuzzy msgid "Invalid atomic index." msgstr "不正な原子のインデックス" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "原子のインデックス" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "不正な原子番号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "原子番号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "不正な座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' 格子座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' 格子座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' 格子座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "原子座標の編集" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "カスタム" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole形式" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "コピー" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "カット" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "削除" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "貼り付け (&P)" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "編集 (&E)" #: qtplugins/copypaste/copypaste.cpp:87 #, fuzzy msgid "Copy As" msgstr "コピー" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "分子の貼り付けでエラー" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "分子を貼り付けできません: クリップボードが空です！" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "クリップボードのデータの読み取りでエラー" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "コピーと貼り付け" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2Kインプット" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "エネルギー" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "エネルギーと力" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "構造最適化" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "電子構造的手法 (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "分子力学" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "なし" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "共役勾配法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "最急降下法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "変更されたインプットファイルを上書きしますか？" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "CP2Kインプットファイルの保存" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "CP2Kの計算を投入" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "クリップボードから結晶構造を読み込む…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "ユニットセルを編集…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "原子をユニットセルに畳み込む (&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "標準配向に回転 (&O)" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "セル体積を拡大縮小 (&V)…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "スーパーセルを構築 (&S)…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "セルを既約化 (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "結晶 (&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "ユニットセルを削除 (&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "ユニットセルを追加 (&U)" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "クリップボードから結晶構造を読み込む" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "原子をユニットセルにラップ。" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "ユニットセルを標準配向に回転。" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "結晶をNiggli縮約" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "ユニットセルは既に既約表現されています。" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "結晶" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "線の色:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "ユニットセルの境界を描画。" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "テキストを解析できません" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "ユニットセルがありません。" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "ユニットセルエディタ" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "双極子モーメント" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "分子の双極子モーメントを描画" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "描画" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "ドローツール\t(%1)\n" "\n" "左ボタン:\tクリック＆ドラッグで原子と結合を作成\n" "右ボタン:\t原子を削除" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "原子を描画" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "結合を削除" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "距離:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "エディターツール" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "自動" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "単結合" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "二重結合" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "三重結合" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "インポート (&I)" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "PDBの取得" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB分子を読めません: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDBコード" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "ダウンロードする化学構造" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "不正なPDBコード" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDBコードは4文字でなければいけません。" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDBコードの最初の文字は1-9でなければなりません。" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "ネットワークダウンロードに失敗しました" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "ネットワーク・タイムアウトまたはその他のエラー" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "指定された分子が見つかりませんでした: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDBから取得" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "選択にフォーカス" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "フォーカスを解除" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "フォーカス" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "力" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "設定…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "選択した原子を固定" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "X軸を固定" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Y軸を固定" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Z軸を固定" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "選択した原子の固定を解除" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "原子間の距離を固定" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "原子間の距離の固定を解除" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "最適化する原子がありません" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "エネルギー: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 エネルギー = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 力の大きさ = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "力場による最適化" #: qtplugins/forcefield/forcefield.h:65 #, fuzzy msgid "Forcefield minimization, including scripts" msgstr "力場による最適化、スクリプトふくむ" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "オプション…" #: qtplugins/forcefield/forcefielddialog.cpp:175 #, fuzzy msgid "Invalid Model Options" msgstr "モデルのオプションが不正" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, fuzzy, qt-format msgid "%1 Options" msgstr "%1 オプション" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "自動検出 (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESSインプット" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESSインプットを生成" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "一点計算" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "平衡構造" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "遷移状態" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "振動解析" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "EFPを作成" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "内殻ポテンシャル" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "なし" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "気相" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "水" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "一重項" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "二重項" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "三重項" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "ジカチオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "カチオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "中性" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "アニオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "ジアニオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "GAMESSインプットファイルの保存" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "GAMESS計算を投入" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "水素を調整 (&A)" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "水素を追加" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "余分な水素を削除 (&X)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "全ての水素を削除 (&R)" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "現在の分子から水素を追加/削除" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "水素 (&H)" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "水素" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "PQRを検索 (&S)…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQRからインポート" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQRから分子をダウンロード" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "挿入 (&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNAを挿入…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "ウラシル" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "チミン" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "分子を挿入…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "3D分子を生成中…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNAを挿入" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "ダイアログでDNA/RNAフラグメントを挿入" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "分子…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "結晶…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "結晶をインポート" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "フラグメントを挿入" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "フラグメントを挿入" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "分子のフラグメントを挿入してより大きな分子を構築" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "ペプチド…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "ペプチドの挿入" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "ペプチドを挿入" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "オリゴペプチド配列を挿入" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "色:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "中心からの距離:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "ラベルのスケール:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "インデックス" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ユニークID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "元素" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "元素と番号" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "元素とID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "部分電荷" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "原子のラベル:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "長さ" #: qtplugins/label/label.cpp:236 #, fuzzy msgid "Bond Label:" msgstr "結合のラベル:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "名前" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "名前とID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "残基のラベル:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "ラベルの編集" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "原子ラベルツール\n" "\n" "左マウス:\t原子をクリックしてラベルをカスタム" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "ラベルを作成" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "ラベルエディターツール" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPSインプット" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "LAMMPSインプットを生成" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "プレビューテキストを更新しますか？Lammpsインプットプレビュー画面での変更は失" "われます。" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "不透明度:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "座標がみつかりません！" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "3次元座標を生成できません。" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "操作" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "操作ツール\t(%1)\n" "\n" "左ボタン:\tクリック＆ドラッグして原子を動かす\n" "右ボタン:\tクリック＆ドラッグして原子を回転させる" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 #, fuzzy msgid "Manipulate tool" msgstr "操作ツール" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "測定" #: qtplugins/measuretool/measuretool.cpp:54 #, fuzzy, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "測定ツール\t(%1)\n" "\n" "左ボタン:\t最大4原子を選択\n" "\t距離は1-2および2-3を測定\n" "\t角度は2を共有点として1-3を測定\n" "\t二面角は1-2-3-4の間を測定\n" "右ボタン:\t測定をリセット" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "二面角:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "角度:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "測定ツール" #: qtplugins/molecularproperties/molecularmodel.cpp:64 #, fuzzy msgid "(pending)" msgstr "(問い合せ中)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "性質" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "分子名" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "分子量 (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "化学式" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "原子の数" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "結合の数" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "残基の数" #: qtplugins/molecularproperties/molecularmodel.cpp:194 #, fuzzy msgid "Number of Chains" msgstr "チェインの数" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "正味の電荷" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "正味のスピン多重度" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "双極子モーメント (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMOのエネルギー (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMOのエネルギー (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMOのエネルギー (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "全エネルギー (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "ゼロ点エネルギー (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "エンタルピー (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "エントロピー (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "ギブズ自由エネルギー (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "点群" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "分子 (&M)…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 #, fuzzy msgid "View general properties of a molecule." msgstr "分子の一般的な性質を見る。" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "解析 (&A)" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "プロパティ (&P)" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "分子の性質" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "分子の性質" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "CSVをエクスポート" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSVファイル (*.csv);;全てのファイル (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "ファイルを書き込みモードで開けません。" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "ファイルの書き込みでエラー" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "エクスポート…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "ナビゲーション" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "ナビゲーションツール\t(%1)\n" "\n" "左ボタン:\tクリック＆ドラッグでビューを回転\n" "中ボタン:\tクリック＆ドラッグで拡大または縮小\n" "右ボタン:\tクリック＆ドラッグでビューを移動" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "x、yまたはz軸にそってシーンを回転。" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "シーンをズーム" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "シーンを平行移動。" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "スクロールによるズームの方向を逆にする" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "デフォルト:\tスクロールダウンして縮小、スクロールアップして拡大\n" "反転時:\tスクロールアップして縮小、スクロールダウンして拡大" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "ナビゲーションツール" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "化学名" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "ネットワークデータベース" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "角度の許容値:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "ハロゲン" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "カルコゲン" #: qtplugins/noncovalent/noncovalent.h:34 #, fuzzy msgid "Render a few non-covalent interactions." msgstr "非共有な相互作用を描画" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "力場の設定…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "配座異性体探索…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "結合情報を読み込む" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "pHを指定して水素を付加…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "水素を取り除く" #: qtplugins/openbabel/openbabel.cpp:95 #, fuzzy, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1が見つかりません！Open Babelプラグインアクションを無効にしています。" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Open Babelから分子をロード中…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, fuzzy, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Open Babel実行中にエラー (%1)" #: qtplugins/openbabel/openbabel.cpp:231 #, fuzzy msgid "Error parsing openbabel output." msgstr "openbabel出力の解析でエラー" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "不正な分子。構造最適化できません。" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Open Babelで構造最適化できません。" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "構造最適化 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "生成中…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, fuzzy, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1を開始中…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "分子を更新中…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 #, fuzzy msgid "Error interpreting Open Babel output." msgstr "Open Babel出力の解釈でエラー" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "不正な分子。配座異性体を生成できません。" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Open Babelで配座異性体を生成できません。" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "配座異性体を生成中 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "配座異性体の生成" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Open Babelでファイルを開けません。" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "XYZ表現を生成中…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Open Babelから分子を更新中…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "水素を追加 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Open Babelインプットを生成中…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Open Babelインプットの生成でエラー" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "%1実行中…" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "pHを指定して水素を付加" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "obabelインプットを生成中…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Open Babelで水素を除去できません。" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "水素を削除中 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Open Babelデータの生成でエラー。" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "obabelの出力を読み込み中…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMMスクリプト…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMMインプット" #: qtplugins/openmminput/openmminput.h:35 #, fuzzy msgid "Generate input for OpenMM." msgstr "OpenMMインプットを生成" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "プレビューテキストを更新しますか？OpenMMインプットプレビュー画面での変更は失" "われます。" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 #, fuzzy msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 #, fuzzy msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 #, fuzzy msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 #, fuzzy msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 #, fuzzy msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 #, fuzzy msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 #, fuzzy msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "真" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "プラグインを管理…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "パッケージインストーラ" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Avogadroパッケージのインストール、更新、削除" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "プラグイン一覧のダウンロードでエラー: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 #, fuzzy msgid "Error: empty response from server." msgstr "エラー: サーバからの応答が空" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "README の取得でエラー: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 #, fuzzy msgid "Check the box next to a plugin to install or update it." msgstr "インストールまたは更新するプラグインの隣のボックスをチェック" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (%2 が必要)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 #, fuzzy msgid "Version Incompatibility" msgstr "バージョンの互換性がありません" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 #, fuzzy msgid "No Download Available" msgstr "ダウンロード可能なものがありません" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, fuzzy, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "%1 のダウンロード中にリダイレクトに失敗\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, fuzzy, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "%1 からのダウンロードに失敗: %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "%1 からのダウンロードに失敗: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1を%2にダウンロード中\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, fuzzy, qt-format msgid "Extracting %1…\n" msgstr "%1 を展開中…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, fuzzy, qt-format msgid "Extraction complete (%1 files)\n" msgstr "展開完了 (%1 ファイル)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, fuzzy, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "エラー: 展開したパッケージ %1 を %2 に移動できませんでした\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, fuzzy, qt-format msgid "Extraction error: %1" msgstr "展開時にエラー: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 #, fuzzy msgid "Extraction yielded no files.\n" msgstr "展開するファイルがありません。\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 #, fuzzy msgid "Installation complete.\n" msgstr "インストール完了\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 #, fuzzy msgid "Nothing to Remove" msgstr "削除するものなし" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 #, fuzzy msgid "Check the box next to an installed plugin to remove it." msgstr "インストールされたプラグインの隣のボックスをチェックして削除。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "プラグインを削除" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, fuzzy, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "選択した %n 件のプラグインを削除しますか？" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "ファイルを保持" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "ファイルを削除" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 #, fuzzy msgid "Select Plugin Directory" msgstr "プラグインディレクトリーを選択" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 #, fuzzy msgid "Invalid Directory" msgstr "不正なディレクトリー" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 #, fuzzy msgid "The selected directory does not contain a pyproject.toml file." msgstr "選択されたディレクトリーに pyproject.toml がありません。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, fuzzy, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "プラグインはシンボリックリンクとしてインストール済: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "シンボリックリンクを作成: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 #, fuzzy msgid "Symlink creation failed; copying files instead…\n" msgstr "シンボリックリンクの作成に失敗；かわりにファイルをコピー中…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, fuzzy, qt-format msgid "Failed to copy package to %1." msgstr "パッケージを %1 にコピーするのに失敗しました。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "%1 からプラグインをインストール…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 #, fuzzy msgid "Not installed" msgstr "未インストール" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "インストール済 (最新)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "更新可能" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Avogadro %1 以降が必要 (実行中のものは %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "状態" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "バージョン" #: qtplugins/packageinstaller/packagemodel.cpp:176 #, fuzzy msgid "Features" msgstr "機能" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "説明" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "静電" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "エネルギーモデル" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "ファイル形式" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "インプットファイルを作る" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "コマンド" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "エラー: zipファイルを開いて中身の一覧を表示できませんでした。\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "エラー: zipファイルを開いてファイルを展開できませんでした。\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "警告: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 #, fuzzy msgid "Player" msgstr "プレイヤー" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "アニメーションツール\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "フレーム:" #: qtplugins/playertool/playertool.cpp:113 #, fuzzy msgctxt "start or first frame index" msgid "Start:" msgstr "最初:" #: qtplugins/playertool/playertool.cpp:124 #, fuzzy msgctxt "end or last frame index" msgid "End:" msgstr "最後:" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "動的結合？" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "フレームレート:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 #, fuzzy msgid "Play" msgstr "再生" #: qtplugins/playertool/playertool.cpp:165 #, fuzzy msgid "Record…" msgstr "録画…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "一時停止" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "動画 (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "ビットマップ画像のエクスポート" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "動画 (*.mp4);;動画 (*.avi);;GIF(*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "GIFファイルフォーマットは100FPS以上のフレームレートをサポートしていません。" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "動画 (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "エラー：フレームをビデオに追加できません。" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "配座異性体のデータをプロット…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "配座異性体解析" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "速度" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "エネルギーの単位:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "相対エネルギー (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "力 (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "速度 (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "配座異性体のデータを生成してプロット (RMSDまたはエネルギー)" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "PDFパターンの生成に失敗" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "エラーメッセージ: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "理論的なXRDパターンをプロット…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "XRDパターンの生成に失敗" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "分子をCIF形式に変換するのに失敗しました。" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "エラー: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "更新" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "プラグインデータのダウンロードでエラー" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #, fuzzy msgid "Error parsing plugin data." msgstr "プラグインデータの解析でエラー" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "このプラグインを使うには特定のパッケージをインストールする必要があります。\n" "インストールしますか？" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 #, fuzzy msgid "Always" msgstr "常に" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "%1からのダウンロードに失敗: 終了コード%2、%3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1 を %2 に伸長中\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "伸長に成功\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "伸長でエラー: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "インストールはキャンセルされました\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "プラグインのダウンロード…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "プラグインのダウンロード" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "GitHubレポジトリーからプラグインをダウンロード" #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "PLY描画…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "ファイルを保存" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY(*.ply);;テキストファイル(*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "PLYによりシーンを描画" #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "POV-Ray描画…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray(*.pov);;テキストファイル(*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 #, fuzzy msgid "Render the scene using POV-Ray." msgstr "POV-Rayでシーンを描画" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "クリックして色を変更" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "原子価" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "形式電荷" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1部分電荷" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "ラベル" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "同位体" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "色" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "原子" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "始めの原子" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "終わりの原子" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "結合次数" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "長さ (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "チェーン" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "二次構造" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "頂点" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "角度 (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "エネルギー (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "フラグメントを調整" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "πヘリックス" #: qtplugins/propertytables/propertymodel.cpp:1197 #, fuzzy msgctxt "protein bend secondary structure" msgid "Bend" msgstr "屈曲" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "αヘリックス" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "βシート" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10ヘリックス" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "βブリッジ" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "原子のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "結合のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "角度のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "二面角のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "残基のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "配座異性体のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "原子、結合、角度、二面角のプロパティを表示・編集する表" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "プロパティ表" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "原子のプロパティ" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "結合のプロパティ" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "角度のプロパティ" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "二面角のプロパティ" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "配座異性体のプロパティ" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "残基のプロパティ" #: qtplugins/propertytables/propertyview.cpp:559 #, fuzzy msgid "Partial Charge Type" msgstr "部分電荷の形式" #: qtplugins/propertytables/propertyview.cpp:559 #, fuzzy msgid "Select the partial charge type:" msgstr "部分電荷の形式を選択:" #: qtplugins/propertytables/propertyview.cpp:580 #, fuzzy msgid "Change Charge Type…" msgstr "電荷形式の変更…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "原子を固定" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "X座標を固定" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Y座標を固定" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Z座標を固定" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "原子の固定を解除" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "結合を制限" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "角度を制限" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "ねじれを制限" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "制限を解除" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "ファイル %1 を読み込みできません。" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "一時ファイルの作成に失敗しました。" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "QTAIMプロパティを使用してプリミティブを表示" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "分子グラフ…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "孤立対付きの分子グラフ…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "原子電荷…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "WFNファイルを開く" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFNファイル (*.wfn);;全てのファイル (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIMエクステンション" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "中心" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "ビューを軸にそろえる" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "ビューを軸にそろえる。" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "ビューのリセット" #: qtplugins/resetview/resetview.h:29 #, fuzzy msgid "Manipulate the view camera." msgstr "ビューカメラを操作" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "電荷モデルのスクリプト" #: qtplugins/scriptcharges/scriptcharges.h:39 #, fuzzy msgid "Load electrostatic models from external scripts." msgstr "外部スクリプトから静電モデルを読み込む" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "全て選択" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "選択の解除" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "選択/非選択を反転" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "元素による選択…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "原子のインデックスによる選択…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "残基による選択…" #: qtplugins/select/select.cpp:68 #, fuzzy msgid "Select Backbone Atoms…" msgstr "バックボーンの原子を選択…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "側鎖の原子を選択…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "水を選択" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "選択を拡大" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "選択を縮小" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "選択から新しいレイヤーを作成" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "選択を変更" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "選択 (&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "元素を選択" #: qtplugins/select/select.cpp:269 #, fuzzy msgid "Select Backbone" msgstr "バックボーンを選択" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "側鎖を選択" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "インデックスにより原子を選択" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "選択する原子:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "原子を選択" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "残基により原子を選択" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "選択する残基:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "残基を選択" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "選択" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "選択" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "選択ツール\t(%1)\n" "\n" "左ボタン:\tクリックして個別の原子、残基、またはフラグメントを選択\n" "\tドラッグして複数の原子を選択\n" "右ボタン:\t分子でないところをクリックして選択を解除\n" "Ctrlで選択を反転、Shiftで選択を追加\n" "ダブルクリック:\tフラグメント全体を選択" #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "原子をペイント" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "選択ツール" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "新しいレイヤー" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "空間群を検出…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "対称化" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "非対称要素に縮約" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "許容値を設定…" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "ユニットセルを埋める…" #: qtplugins/spacegroup/spacegroup.cpp:101 #, fuzzy msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "並進セルを充填…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "空間群" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "結晶の空間群に基づいて対称な原子を追加。" #: qtplugins/spacegroup/spacegroup.cpp:135 #, fuzzy msgid "Fill all atoms based on the crystal space group." msgstr "結晶の空間群に基づいて原子を充填。" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "空間群を検出" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "空間群が次のものに設定されています: %1.\n" "上書きしますか？" #: qtplugins/spacegroup/spacegroup.cpp:407 #, fuzzy, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "空間群の検出に成功:\n" "許容値: %1 Å\n" "空間群: %2\n" "ホール記号: %3\n" "国際記号: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "失敗" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "空間群の検出に失敗しました。\n" "許容値を変更して再試行しますか？" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "現在の許容値: %1\n" "この値で続行しますか？" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "対称化に失敗。\n" "結晶をチェックして異なる許容値を試してください。" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "許容値を Å で選択:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "三斜晶" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "単斜晶" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "直方晶" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "正方晶" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "三方晶" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "菱面体晶" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "六方晶" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "立方晶" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "基本胞を検出" #: qtplugins/spacegroup/spacegroup.cpp:662 #, fuzzy, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "現在のユニットセルは基本胞（角度が90°ではない）のようですが、空間群 %1 には慣" "用胞であることが望ましいです。\n" "\n" "ユニットセルを埋めると予期せずに重複した原子ができることがあります。\n" "\n" "まず慣用胞をつくりますか？" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "慣用胞化に失敗しました。" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "国際記号" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "ホール記号" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "ヘルマン・モーガン記号" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "結晶系" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "空間群を選択" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "空間群" #: qtplugins/spacegroup/spacegroup.h:87 #, fuzzy msgid "Space group features for crystals." msgstr "結晶の空間群特性" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "スペクトルをプロット…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "スペクトル" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "スペクトルプロットを表示" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "赤外" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "ラマン" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "振動CD" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "磁性CD" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "電子" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "円二色性" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "状態密度" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "背景色の選択" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "表示色の選択" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "計算したスペクトルの色を選択" #: qtplugins/spectra/spectradialog.cpp:685 #, fuzzy msgid "Select Raw Spectra Color" msgstr "無加工のスペクトルの色を選択" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "インポートされたスペクトルの色を選択" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "波長 (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "周波数 (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "振動スペクトル" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "波数 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "透過" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "ラマンスペクトル" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "強度" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "振動円二色性" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "磁気円二色性" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMRスペクトル" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "化学シフト (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "電子スペクトル" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "エネルギー (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "円二色性スペクトル" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "密度" #: qtplugins/spectra/spectradialog.cpp:965 #, fuzzy msgid "Smoothed" msgstr "平滑化" #: qtplugins/spectra/spectradialog.cpp:974 #, fuzzy msgid "Raw" msgstr "無加工" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "データのインポート" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSVファイル (*.csv);;TSVファイル (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "表面" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "体積" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "スタイル:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "分子表面を描画。" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "分子軌道…" #: qtplugins/surfaces/orbitals.h:49 #, fuzzy msgid "Orbital Window" msgstr "軌道ウィンドウ" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "軌道の一覧を表示" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "軌道" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "対称性" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "占有" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "スピン" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "分子軌道" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 #, fuzzy msgid "Solvent Excluded" msgstr "溶媒排除" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "分子軌道" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "電子密度" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "スピン密度" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "第%L1分子軌道" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "表面を作成…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "ファンデルワールス表面を描画。" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "ファンデルワールス分子表面を描画。" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "分子軌道を描画。" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "電子密度を描画。" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "スピン密度を描画。" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "キューブ%1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "電子密度を計算中" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "スピン密度を計算中" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "第%L1分子軌道を計算中" #: qtplugins/surfaces/surfaces.cpp:898 #, fuzzy msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "表面レンダリングを完了" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "動画 AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "動画のエクスポート" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "MP4動画 (*.mp4);;AVI動画 (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 #, fuzzy msgid "Read and render surfaces." msgstr "表面を読み込んでレンダリング" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "シーンをSVGファイルに描画" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "クラス" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "対称性…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "対称要素を描画。" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "群%1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "テンプレート" #: qtplugins/templatetool/templatetool.cpp:85 #, fuzzy, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "テンプレートツール\t(%1)\n" "\n" "金属中心を含むフラグメントを挿入\n" "元素と座標を選択し、クリックしてフラグメントを挿入\n" "\n" "リガンドまたは官能基を選択して、付加する水素をクリック" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "クリップボード" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "テンプレートを挿入" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "リガンドを挿入" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "テンプレートツール" #: qtplugins/vanderwaals/vanderwaals.h:33 #, fuzzy msgid "Simple display of VdW spheres." msgstr "VdW 球の簡単な表示" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "アニメーションを開始" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "アニメーションを停止" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "振動モード…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "振動モードのダイアログを表示。" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "振動モードを設定。" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "振動の振幅を設定。" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "振動のアニメーションを開始。" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "振動のアニメーションを停止。" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "振動" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "振動モードを表示。" #: qtplugins/vrml/vrml.cpp:29 #, fuzzy msgid "VRML Render…" msgstr "VRML描画…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML(*.wrl);;テキストファイル(*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 #, fuzzy msgid "Render the scene using VRML." msgstr "VRMLでシーンを描画" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "分子をワイヤーフレームとして描画" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "バンド構造の計算…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k空間" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "バンド%1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "フェルミ準位" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Yaehmopが見つかりません" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "エラー: %1 の開始に失敗" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmopインプット" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "yaehmopで拡張ヒュッケル計算を行う" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "ダイアログ" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "フォーム" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "計算設定" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy msgid "Placeholder text…" msgstr "仮のテキスト…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "リセット" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy msgid "Debug Script…" msgstr "スクリプトをデバッグ…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "計算を投入…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "インプットを保存…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) #, fuzzy msgid "Refresh" msgstr "更新" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

このジョブで予約するプロセッサ数

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "プロセッサコア:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "進捗の通知を表示:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "フラグメントを挿入…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "フィルター:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "ファイル名 (またはその一部) を入力 (マッチするファイルのみ表示)" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "挿入" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTMLスニペット" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "クリップボードにコピー (&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDBファイル:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "力場:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQRを実行" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQRファイル:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBSインプットファイル" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "インプットファイルを保存" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBSを実行" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "成功しました！" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "構造ファイルをロード" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "キューブファイルをロード" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "部分電荷" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "電荷モデル:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "距離の許容値:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "最小距離:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "環境名:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "環境:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "拘束条件を追加" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "タイプ:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Atom Indices:" msgstr "原子のインデックス:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "値:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "追加" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "オプション" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) #, fuzzy msgid "Get Constraint" msgstr "拘束条件を取得" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) #, fuzzy msgid "Delete Selected" msgstr "選択したものを削除" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) #, fuzzy msgid "Delete All" msgstr "すべて削除" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "座標エディタ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "プリセット:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "距離の単位:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "オングストローム" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "ボーア" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "書式:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "ヘルプ…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "貼り付け" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) #, fuzzy msgid "Revert" msgstr "変更を破棄" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "クリア" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "適用" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2Kインプット" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "すべてリセット" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "デフォルト" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "ファイルを保存…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "基本セットアップ (&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "タイトル:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "ジョブ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "計算:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "基底関数:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "汎関数" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "真" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "スーパーセルのパラメータ" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "スーパーセルのオプション" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Aの繰り返し:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Bの繰り返し:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Cの繰り返し:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "原子の並進 (&T)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "適用 (&A)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) #, fuzzy msgid "&Revert" msgstr "変更の差し戻し(&R)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "隠す (&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "体積を指定してユニットセルを拡大縮小" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "New &Volume:" msgstr "新しい体積(&V):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "スケーリングファクター(&S):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "現在の体積:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "テキストラベル" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "結合次数:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "構造最適化パラメータ" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "収束条件" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "エネルギーの収束:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #, fuzzy msgid " units" msgstr " 単位" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " ステップ" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "勾配の収束:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "構造最適化法" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "力場:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "自動検出" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESSインプット" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "状態:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "CONV THRESH" msgstr "収束の閾値" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "多重度:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "モデル:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "電荷:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQRからインポート…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "検索" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "名前" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "タグ" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) #, fuzzy msgid "synonym" msgstr "シノニム" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "式" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Search By: " msgstr "探索: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "式:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "ダウンロード" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "名前:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "核酸を挿入" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNAビルダー" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "核酸:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "アデニン" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "シトシン" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "グアニン" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "配列:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "1ヘリックスターンの塩基対の数" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "その他" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "1ターンの塩基数:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "ストランド:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "一本鎖" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "二本鎖" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "ペプチドビルダー" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "アラニン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "アルギニン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "アスパラギン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "アスパラギン酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "システイン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "グルタミン酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "グルタミン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "グリシン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gky" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "ヒスチジン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "イソロイシン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "バリン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "チロシン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "トリプトファン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "トレオニン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "セリン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "プロリン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "フェニルアラニン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "メチオニン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "リシン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "ロイシン" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "アミノ酸:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "配列 (N→C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "立体化学:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N末端:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C末端:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "構造:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "直鎖" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "αヘリックス" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "βシート" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10ヘリックス" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "πヘリックス" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "鎖数:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "新規のペプチドの鎖数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPSインプット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "シミュレーションで用いる単位形式を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "単位" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj(無次元)" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "電子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "水ポテンシャル" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "データファイルで使用する原子形式 (atom_style) を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "原子形式" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "角度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "双極子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "座標ファイル名を指定" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "アンサンブル" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "温度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "NVTアンサンブルで能勢-フーバーチェインの数を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NHチェーン" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "シミュレーションの1ステップ時間（「単位」で指定した単位）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "タイムステップ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "シミュレーション中の書き込みに使用する XYZ ファイル名" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZをダンプ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "系の次元数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "次元" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z 境界スタイルを変更" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y 境界スタイルを変更" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X 境界スタイルを変更" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "X, Y, Z 方向の境界スタイルを選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "境界" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "X, Y, Z 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "複製" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "X 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Y 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Z 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "シミュレーションの全タイムステップ数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "総ステップ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "ダンプ間隔" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "シミュレーションする原子の初期速度をセット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "初期速度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "原子の初期速度の分布を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "ガウス分布" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "一様分布" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "この温度に適合するように原子の初期速度をセット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) #, fuzzy msgid "Remove system linear momentum from initial velocities." msgstr "初期速度から系の並進運動量を除去" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "並進運動量をゼロにする" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "系の角運動量を除去するように初期速度をセット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "角運動量をゼロにする" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "シミュレーション中の熱力学量の出力を制御" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "出力" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "出力間隔" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "熱力学量の出力形式" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "単一行 (要約)" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "複数行" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "フォームを使用" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "生成…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "記述子:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "並進操作の距離:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "回転軸:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "原点" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "分子の中心" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "選択の中心" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X軸" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y軸" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z軸" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) #, fuzzy msgid "Move:" msgstr "移動:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "選択した原子" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) #, fuzzy msgid "Everything Else" msgstr "それ以外すべて" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "配座異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "方法" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "配座異性体の数:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "体系的回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "乱数的回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "重みつきの回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "遺伝的回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "配座異性体ごとの最適化:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "遺伝的アルゴリズムオプション" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "各親構造に対する子の数" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "子:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "変異頻度 (低いほど高頻度で変異)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "突然変異性:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "収束性:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "スコアリング法:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "最適化アルゴリズム:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "最急降下法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "共役勾配法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "ニュートン法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "非結合性の相互作用を制限" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "ファンデルワールス力のカットオフ距離:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "静電力のカットオフ距離:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "\"Energy\" convergence:" msgstr "\"Energy\" 収束:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "ジョブスクリプト:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "スクリプト" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "力場:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "水のモデル:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "プラットホーム:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "参照" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "精度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "単精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "混合精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "倍精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "拘束条件:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "偽" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "ランダムな初期速度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "生成温度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "積分器:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "誤差の許容値:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) #, fuzzy msgid "Collision rate:" msgstr "衝突速度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "モンテカルロ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "圧力:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "平衡化ステップ:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) #, fuzzy msgid "Minimize?" msgstr "最小化しますか？" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "時間" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "速さ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "進捗" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "ポテンシャルエネルギー" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "運動エネルギー" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "全エネルギー" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "プラグインを検索…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "ディレクトリーからインストール…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "選択したものを削除" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "選択したものをインストール/更新" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Maximum Radius:" msgstr "最大半径:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) #, fuzzy msgid "Step (dr):" msgstr "ステップ(dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "点の数:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "ピーク幅:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "波長:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

X線の波長（単位オングストローム）。

デフォルト: " "1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "選択したものをダウンロード" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "臨界点半径:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "結合パス半径:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "共有結合" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "一定サイズ" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "色を適用" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "スペクトルの可視化" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "スケール因子:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X軸の最小値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X軸の最大値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "オフセット:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y軸の最大値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y軸の最小値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "ピーク幅:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "ピークの閾値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "単位:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "外観(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) #, fuzzy msgid "Set Color…" msgstr "色の設定…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "インポートされたスペクトル:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "フォントサイズ:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "線幅:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "表示" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "実験スペクトルのtsvをインポートしてプロットに重ね描きする。" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "インポート (&I)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "背景:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "計算されたスペクトル:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) #, fuzzy msgid "Raw Spectra:" msgstr "無加工のスペクトル:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "エクスポート (&E)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "データのエクスポート" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "閉じる(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "オプション (&O)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "コントロール:\n" "左ダブルクリック: デフォルトの軸端点を保持\n" "右クリック + ドラッグ: プロットを移動\n" "中央クリック + ドラッグ: ズーム\n" "ホイールをスクロール: カーソルへズーム" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "データをロード (&L)…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "画質: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "最低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "中" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "最高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "描画" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "設定" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "表面を作成する" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "表面:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "アルファ" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "ベータ" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "静電ポテンシャル" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "解像度:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "等値面の値:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "平滑化:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy msgid "Light" msgstr "軽" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy msgid "Strong" msgstr "強" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "計算" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #, fuzzy msgid "Record Movie…" msgstr "ムービーを録画…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "分子" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "対称性により等価な原子:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "対称性を固定" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "操作" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "対称要素:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "部分群" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "部分群:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "許容値:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "中" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "対称性を検出" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "中心" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "形式電荷:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "配位:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: 八面体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: 直線形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: 直線形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: 平面三角形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: 四面体形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: 平面四角形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: 三方両錐形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: 四角錐形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: 三角柱形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: 五方両錐形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: 反四角柱形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "リガンド" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "単座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "二座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "三座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "四座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "六座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "クリップボードから" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "リガンド:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "官能基" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "官能基:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "アミド" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "カルボン酸" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "エステル" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "エチレン" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "エチン" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "ニトロ" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "フェニル" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "リン酸" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "スルホン酸" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "振動モード" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "振幅:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmopバンド" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "yの最小値: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "フェルミをプロットしますか？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

フェルミが0になるようにエネルギーを調整しますか? フェル" "ミ準位をプロットするときのみ有効です。


デフォルト: 無効" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "フェルミを0にしますか？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "# of k-points connecting special k-points:" msgstr "特殊なk点につながっているk点の数:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Special k-points" msgstr "特殊なk点" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "yの最大値: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

フェルミ準位

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

y軸の範囲を制限しますか？

デフォルト: なし

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "yの範囲を制限しますか？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "次元数:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Yaehmopのインプットを表示しますか？" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andrzej MoST (Marcin Ostajewski),Geoff " "Hutchison, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,hide " "D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,hide " "D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,hide " "D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,hide " "D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,hide " "D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,hide " "D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Katsuhiko " "Nishimra,Kenichi Ito,Rubia,aoyama iwao,hide D,tomo, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Katsuhiko Nishimra,Kenichi " "Ito,Rubia,aoyama iwao,hide D,tomo, ,Launchpad Contributions:,Avogadro " "Team,Geoff Hutchison,Katsuhiko Nishimra,Kenichi Ito,Rubia,aoyama iwao,hide " "D,tomo" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,ktns.87@gmail.com,ken.i54k@gmail.com,,iwao.aoyama@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,ktns.87@gmail.com,ken.i54k@gmail.com,,iwao.aoyama@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,ktns.87@gmail.com,ken.i54k@gmail.com,,iwao.aoyama@gmail.com,," #, qt-format #~ msgid "Tab %1" #~ msgstr "タブ %1" #, fuzzy, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "エラー: 値はキー '%1' のオブジェクトでなければなりません。" #, fuzzy #~ msgid "Volume Rendering" #~ msgstr "体積の描画" #, fuzzy #~ msgid "Enable volume rendering" #~ msgstr "体積の描画を有効化" #, fuzzy #~ msgid "Enable surface rendering" #~ msgstr "表面の描画を有効化" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "スクリプト %1 をロードできません" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 kJ/mol" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "角度:" #~ msgid " °" #~ msgstr " °" #~ msgid "Hartree" #~ msgstr "Hartree" #~ msgid "eV" #~ msgstr "eV" #~ msgid "kcal/mol" #~ msgstr "kcal/mol" #~ msgid "kJ/mol" #~ msgstr "kJ/mol" #~ msgid "Cancel" #~ msgstr "キャンセル" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(問い合せ中)" #~ msgid "unknown molecule" #~ msgstr "不明な分子" #~ msgid " & " #~ msgstr " & " #~ msgid "Meshes" #~ msgstr "メッシュ" #, fuzzy #~ msgid "Generate and plot an RMSD curve." #~ msgstr "RMSD曲線を作成してプロット" #, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "原子ラベルツール\t(%1)\n" #~ "\n" #~ "左ボタン:\t原子をクリックしてラベルをカスタム" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "原子、結合、角度、二面角のプロパティを表示・編集する表" #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "分子のアラインメント\n" #~ "\n" #~ "左クリック: \t二つまでの分子を選んでください。\n" #~ "\t最初の原子が座標の原点になります。\n" #~ "\t次の原子が選択した座標軸上にアラインメントされます。\n" #~ "右クリック: \tアラインメントをリセットします。\n" #~ "ダブルクリック: \t原子を原点に設定します。" #, fuzzy, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "ナビゲーションツール \t(%1)\n" #~ "\n" #~ "左クリック: \tクリックしたままドラッグしてビューを回転\n" #~ "ミドルクリック: \tクリックしたままドラッグして拡大または縮小\n" #~ "右クリック: \tクリックしたままドラッグしてビューを移動\n" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "アニメーションツール \t(%1)" #, fuzzy, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "選択ツール (%1)\n" #~ "\n" #~ "左クリック: \t個別の原子、残基、またはフラグメントを選択\n" #~ "\tドラッグして複数の原子を選択\n" #~ "右クリック: \t分子でないところをクリックして選択解除\n" #~ "Ctrlで選択を反転、shiftで選択を追加\n" #~ "ダブルクリック: \tフラグメント全体をクリック" #, fuzzy, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "テンプレートツール \t(%1)\n" #~ "\n" #~ "金属中心を含むフラグメントを挿入\n" #~ "元素と座標を選択し、フラグメントの挿入をクリック\n" #~ "\n" #~ "リガンドまたは官能基を選択して付加する水素をクリック" #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "ポリゴンメッシュの描画" #~ msgid "&Analysis" #~ msgstr "解析 (&A)" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "インポート(&I)…" #~ msgid "Set Color..." #~ msgstr "色を設定..." #~ msgid "&Export..." #~ msgstr "エクスポート(&E)..." #~ msgid "&Load data..." #~ msgstr "データのロード(&L)..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "部分電荷" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "結合中心操作ツール\n" #~ "\n" #~ "左クリック: \n" #~ "中クリック: \n" #~ "右クリック: \n" #~ "ダブルクリック: 表示をリセット\n" #~ "\n" #~ "結合を左クリック&ドラッグで操作平面を選択:\n" #~ "原子を左クリック&ドラッグで結合角を変更\n" #~ "原子を右クリック&ドラッグで結合長を変更" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "描画ツール\n" #~ "\n" #~ "左クリック: \tクリック&ドラッグで原子・結合を作成\n" #~ "右クリック: \t原子を削除" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "測定ツール\n" #~ "\n" #~ "左クリック: 原子を4つまで選択します。\n" #~ "\t1-2および2-3の距離を測定します。\n" #~ "\t2から見た1と3の間の角度を測定します。\n" #~ "\t1-2-3-4の二面角\n" #~ "右クリック: 測定をリセットします。" #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "ナビゲーションツール\n" #~ "\n" #~ "左クリック: クリック&ドラッグで表示領域を回転\n" #~ "中クリック: クリック&ドラッグでズームイン・ズームアウト\n" #~ "右クリック: クリック&ドラッグで表示領域を移動\n" #~ msgid "Animation Tool" #~ msgstr "アニメーションツール" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "選択ツール\n" #~ "\n" #~ "左クリック: \tクリックして原子・残基・フラグメントを選択\n" #~ "\tドラッグして領域を指定して原子を選択\n" #~ "右クリック: \t分子のない場所をクリックして選択をリセット\n" #~ "Ctrlキー・Shiftキーで原子を追加選択\n" #~ "ダブルクリック: \tフラグメント全体を選択" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "操作ツール\n" #~ "\n" #~ "左クリック: クリック&ドラッグで原子を移動\n" #~ "右クリック: クリック&ドラッグで選択した原子を回転\n" #~ msgid "Geometry" #~ msgstr "構造" #~ msgid "Add Unit Cell" #~ msgstr "ユニットセルを追加" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "原子のインデックス" #, fuzzy #~ msgid "By Distance" #~ msgstr "距離" #, fuzzy #~ msgid "Select Water…" #~ msgstr "水を選択…" #~ msgid "&Copy" #~ msgstr "コピー (&C)" #~ msgid "Molecule Name:" #~ msgstr "分子名:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "分子量 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "化学式:" #~ msgid "Number of Atoms:" #~ msgstr "原子数:" #~ msgid "Number of Bonds:" #~ msgstr "結合数:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Line width:" #~ msgid "Line Size:" #~ msgstr "線幅:" #~ msgid "Fragment…" #~ msgstr "フラグメント…" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "汎関数" #~ msgid "Help..." #~ msgstr "ヘルプ..." #~ msgid "Save File..." #~ msgstr "ファイルの保存" #~ msgid "Other..." #~ msgstr "その他..." #~ msgid "S&erver" #~ msgstr "サーバ (&E)" #~ msgid "Connection failed" #~ msgstr "接続に失敗しました" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "クライアントサーバ" #~ msgid "Connection refused" #~ msgstr "接続が拒否されました" #~ msgid "Filename" #~ msgstr "ファイル名" #~ msgid "Formula" #~ msgstr "化学式" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "YAeHMOP Band Structure" #~ msgstr "YAeHMOPバンド構造" #~ msgid "Server settings" #~ msgstr "サーバ設定" #~ msgid "&Hostname:" #~ msgstr "ホスト名 (&H):" #~ msgid "Port" #~ msgstr "ポート" #~ msgid "Test C&onnection..." #~ msgstr "接続のテスト (&O)" #~ msgid "File name:" #~ msgstr "ファイル名:" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "Config" #~ msgstr "設定" #~ msgid "Upload" #~ msgstr "アップロード" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Singularity" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "All files (*);;" #~ msgstr "すべてのファイル (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "菱面体晶" #~ msgid "Layer" #~ msgstr "レイヤー" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "分子を挿入..." #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "3D分子を生成中..." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "APBSを実行" #, fuzzy #~ msgid "Edit Unit Cell..." #~ msgstr "ユニットセルの編集" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "フラグメント..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "結晶..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "pHを指定して水素を付加..." #~ msgid "Atom Properties..." #~ msgstr "原子のプロパティ..." #~ msgid "Bond Properties..." #~ msgstr "結合のプロパティ..." #~ msgid "Angle Properties..." #~ msgstr "角度のプロパティ..." #~ msgid "Torsion Properties..." #~ msgstr "二面角のプロパティ..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "分子の性質..." #~ msgid "Create Surfaces..." #~ msgstr "サーフェスを作成..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "対称性" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "フラグメントを挿入..." #~ msgid "Theory:" #~ msgstr "理論:" #~ msgid "Distance: %L1 Å" #~ msgstr "距離: %L1 Å" #~ msgid "&LAMMPS Input" #~ msgstr "LAMMPSインプット (&L)" #~ msgid "Reset to Default Values" #~ msgstr "デフォルト値に戻す" #~ msgid "Rotatable" #~ msgstr "回転可能" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "配座 %1\n" #~ "長さ %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "配座 %1\n" #~ "角度 %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "角度 %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "配座 %1\n" #~ "二面角 %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "二面角 %1" #~ msgid "Torsion" #~ msgstr "二面角" #~ msgid "Energy (kJ/mol)" #~ msgstr "エネルギー (kJ/mol)" #~ msgid "Yes" #~ msgstr "はい" #~ msgid "No" #~ msgstr "いいえ" #, fuzzy #~ msgid "Import" #~ msgstr "インポート" #~ msgid "Insert SMILES" #~ msgstr "SMILESを挿入" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILIESフラグメントを挿入" #~ msgid "Insert Crystal" #~ msgstr "結晶を挿入" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "分子のフラグメントを挿入してより大きな分子を構築" #~ msgid "E&xtensions" #~ msgstr "エクステンション(&x)" #~ msgid "Symmetry Properties..." #~ msgstr "対称性の性質..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&ジオメトリ最適化" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "構造最適化" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "水素を追加" #, fuzzy #~ msgid "Stopped" #~ msgstr "ストップ" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "サーフェス" #~ msgid "Color by Index" #~ msgstr "インデックスによるカラー" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "インデックスによるカラー ( 赤, 橙, 黄, 緑, 青, 紫 )" #~ msgid "Color by Partial Charge" #~ msgstr "部分電荷によるカラー" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "原子部分電荷に基づく彩色（青：正電荷、赤：負電荷）" #~ msgid "Custom Color:" #~ msgstr "カスタムカラー:" #~ msgid "Set custom colors for objects" #~ msgstr "オブジェクトのカスタムカラーを設定" #~ msgid "Color by Distance" #~ msgstr "距離による色付け" #~ msgid "Color by distance from the first atom." #~ msgstr "第一原子からの距離による色付け" #~ msgid "Color by Element" #~ msgstr "元素による色付け" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "元素による色付け ( 炭素 = グレー, 酸素 = 赤, ... )" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "残基による色付け ( アミノ酸タイプ, 疎水性, ... )" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTSパターン:" #~ msgid "Highlight Color:" #~ msgstr "強調表示色:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "SMARTSパターンによる色付け" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "SMARTSパターンに一致するものをハイライト" #~ msgid "Ununtrium" #~ msgstr "ウンウントリウム (Ununtrium)" #~ msgid "Ununpentium" #~ msgstr "ウンウンペンチウム (Ununpentium)" #~ msgid "Ununseptium" #~ msgstr "ウンウンセプチウム (Ununseptium)" #~ msgid "Ununoctium" #~ msgstr "ウンウンオクチウム (Ununoctium)" #~ msgid "Engines" #~ msgstr "エンジン" #~ msgid "Axes" #~ msgstr "軸" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "原点に x, y, z 軸を表示" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "ボール ( 原子 ) とスティック ( 結合 ) で基本要素を表示" #~ msgid "Dipole" #~ msgstr "双極子" #~ msgid "Hydrogen Bond" #~ msgstr "水素結合" #~ msgid "Renders hydrogen bonds" #~ msgstr "水素結合を表示" #~ msgid "Select Atom Labels Color" #~ msgstr "原子ラベルの色を選択" #~ msgid "Select Bond Labels Color" #~ msgstr "結合ラベルの色を選択" #~ msgid "Select Bond Labels Font" #~ msgstr "結合ラベルのフォントを選択" #~ msgid "Polygon" #~ msgstr "ポリゴン" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "原子を四面体, 八面体, その他ポリゴンで表示" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "タンパク質バックボーンをリボン表示" #~ msgid "Ring" #~ msgstr "リング" #~ msgid "Renders rings with colored planes" #~ msgstr "色付平面と共にリングを表示" #~ msgid "Simple Wireframe" #~ msgstr "シンプル・ワイヤフレーム" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "結合をワイヤ ( 直線 ) で表示, 巨大分子に最適" #~ msgid "Van der Waals Spheres" #~ msgstr "ファンデルワールス球" #~ msgid "Stick" #~ msgstr "スティック" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "電子密度, 等値面 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 等値面 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "結合をワイヤ ( 直線 ) で表示, 巨大 ( 生体 ) 分子に最適" #~ msgid "Trajectory files" #~ msgstr "トラジェクトリファイル" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORYファイル" #~ msgid "Open Trajectory File" #~ msgstr "トラジェクトリファイルを開く" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "拡張子 .avi を追加" #~ msgid "Animation..." #~ msgstr "アニメーション ...." #~ msgid "Cannot read file format of file %1." #~ msgstr "ファイル %1 のファイル形式を読めません" #~ msgid "Read trajectory file %1 failed." #~ msgstr "トラジェクトリファイル %1 の読み込みに失敗しました" #~ msgid "Must specify a valid .avi file name" #~ msgstr "有効な .avi ファイル名を指定してください" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "動画を保存するための、GLウィジェットが正しく初期化されませんでした" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "無効な動画ファイル名. ディレクトリの完全パスを含める必要があります" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "無効な動画ファイル名. .avi で終了するディレクトリの完全パスを含める必要が" #~ "あります" #~ msgid "Could not determine format from filename: %1" #~ msgstr "ファイル名からフォーマットを特定できません : %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "トラジェクトリ, 反応, 振動をアニメーションで表示" #~ msgid "Cartesian Editor" #~ msgstr "カルテシアン座標エディタ" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "分子のユニットセルが定義されていません。 -- フラクショナル座標を使用できま" #~ "せん。" #~ msgid "Cartesian Editor..." #~ msgstr "カルテシアンエディタ..." #~ msgid "Cartesian editor" #~ msgstr "カルテシアンエディタ" #~ msgid "Number of atoms: %1" #~ msgstr "原子数 : %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "回転可能な結合数 : %1" #~ msgid "Add constraint" #~ msgstr "拘束条件を追加" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "対象とする分子の少なくとも1つの原子に1つの拘束条件を追加する必要があります" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "対象とする分子の少なくとも2つの原子に1つの結合拘束条件を追加する必要があり" #~ "ます" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "対象とする分子の少なくとも3つの原子に1つの角度拘束条件を追加する必要があり" #~ "ます" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "対象とする分子の少なくとも4つの原子に1つのねじれ角拘束条件を追加する必要が" #~ "あります" #~ msgid "&Crystallography" #~ msgstr "結晶(&C)" #~ msgid "&Reduce" #~ msgstr "リデュース(&R)" #~ msgid "&Length Unit" #~ msgstr "長さの単位(&L)" #~ msgid "&Angle Unit" #~ msgstr "角度の単位(&A)" #~ msgid "&Coordinate Display" #~ msgstr "座標の表示方法(&C)" #~ msgid "Coordinate &Preservation" #~ msgstr "座標の保存方法(&P)" #~ msgid "&Matrix Display" #~ msgstr "行列の表示方法(&M)" #~ msgid "Hide &Editors" #~ msgstr "エディタを隠す(&E)" #~ msgid "Show &Editors" #~ msgstr "エディタを表示(&E)" #~ msgid "Hide &Property Display" #~ msgstr "プロパティディスプレイを隠す(&P)" #~ msgid "Show &Property Display" #~ msgstr "プロパティディスプレイを表示(&P)" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "格子タイプ: %1" #~ msgid "Spacegroup: %1" #~ msgstr "空間群: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "ユニットセル体積: %L1%2" #~ msgid "Undefined" #~ msgstr "未定義" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "三斜晶" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "単斜晶" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "斜方晶" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "正方晶" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "六方晶" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "立方晶" #~ msgid "Paste Crystal" #~ msgstr "結晶を貼り付け" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli既約化に失敗しました。入力された格子構造はNiggli既約化アルゴリズムに" #~ "適しません。少し(許容値の二つ下のオーダー程度)構造を乱して再度試してみてく" #~ "ださい。" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "1000回計算しましたが、セルの既約化に失敗しました。停止します。" #~ msgid "Rotate To Standard &Orientation" #~ msgstr "標準配向へ回転(&O)" #~ msgid "&Slab..." #~ msgstr "スラブ(&S)" #~ msgid "Perceive Space&group..." #~ msgstr "空間群を検出(&G)..." #~ msgid "Set &Spacegroup..." #~ msgstr "空間群を設定(&S)" #~ msgid "&Fill Unit Cell" #~ msgstr "単位胞を構成(&F)" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "現在の空間群を元に単位胞を構成" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "非対称要素に縮約(&A)" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "同等の位置にある原子を削除します(単位胞を構成と逆の操作)。" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "結晶を対称化(&M)" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "セルを既約化(&Primitive)" #~ msgid "&Bohr" #~ msgstr "ボーア(&B)" #~ msgid "&Nanometer" #~ msgstr "ナノメートル(&N)" #~ msgid "&Picometer" #~ msgstr "ピコメートル(&P)" #~ msgid "&Degree" #~ msgstr "度(&D)" #~ msgid "&Radian" #~ msgstr "ラジアン(&R)" #~ msgid "Display &cartesian coordinates" #~ msgstr "デカルト座標を表示(&C)" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "セルの変更時にデカルト座標を保存(&C)" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "セルの変更時にフラクショナル座標を保存(&F)" #~ msgid "Display &cartesian matrix" #~ msgstr "行列をデカルト座標表示(&C)" #~ msgid "Display &fractional matrix" #~ msgstr "行列をフラクショナル座標表示(&C)" #~ msgid "Display as &column vectors" #~ msgstr "列ベクトル表示(&C)" #~ msgid "&Crystal View Options..." #~ msgstr "結晶表示オプション(&C)..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

検出された空間群 %1, Hall記法 %2, ヘルマン・モーガン記号 %3

セルは" #~ "標準的な構造に対称化できます。実行しますか？対称性を利用する操作 (例:スー" #~ "パーセルビルダ) のために必要です。

" #~ msgid "Set Spacegroup" #~ msgstr "空間群をセット" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "このドキュメントに空間群は指定されていません。\n" #~ "\n" #~ "空間群をセットしますか？" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "P1空間群を検出しました。この空間群に対称化することはできません。\n" #~ "\n" #~ "許容値を変更して再試行しますか？" #~ msgid "Symmetrize Crystal" #~ msgstr "結晶を対称化" #~ msgid "Wrap Atoms To Cell" #~ msgstr "セル内に原子を折り返す" #~ msgid "Reduce to Niggli Cell" #~ msgstr "セルをNiggli既約化" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "現在のデカルト座標系単位で許容値を選択:" #~ msgid "Crystallography" #~ msgstr "結晶" #~ msgid "Construct and analyze periodic structures." #~ msgstr "周期構造を構成・解析" #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "このインプットは以下に示すサポートされている\n" #~ "フォーマットのどれにも合致しません。\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASPフォーマット\n" #~ msgid "Bad Compostion" #~ msgstr "不正な組成式" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "IdentityフィールドはPOSCARの6行目と同じ数だけのエントリをスペース区切りで" #~ "含まなければなりません。" #~ msgid "Cartesian Coordinates" #~ msgstr "デカルト座標" #~ msgid "Fractional Coordinates" #~ msgstr "フラクショナル座標" #~ msgid "Set Fractional Coordinates" #~ msgstr "フラクショナル座標をセット" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "セル行列(%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "ユニットセル行列をセット" #~ msgid "Set Unit Cell Params" #~ msgstr "ユニットセルのパラメータをセット" #~ msgid "Working..." #~ msgstr "処理中..." #~ msgid "Build" #~ msgstr "ビルド(&B)" #~ msgid "Cut Slab From Crystal" #~ msgstr "結晶からスラブを作成" #~ msgid "No GLWidget?" #~ msgstr "GLWidgetが見つからないようです。" #~ msgid "Please select one or more atoms." #~ msgstr "一つ以上の原子を選択してください。" #~ msgid "Trajectory..." #~ msgstr "トラジェクトリ ..." #~ msgid "Open chemical file format" #~ msgstr "化学ファイル形式を開く" #~ msgid "Chemical files (*.xyz)" #~ msgstr "化学ファイル (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "パラメータファイルを開く" #~ msgid "Chemical files (*.parm7)" #~ msgstr "化学ファイル (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "トラジェクトリのインポート" #~ msgid "Import trajectory files" #~ msgstr "トラジェクトリファイルのインポート" #~ msgid "Calculate Energy" #~ msgstr "エネルギー計算" #~ msgid "Conformer Search..." #~ msgstr "配座探索 ..." #~ msgid "Constraints..." #~ msgstr "束縛 ..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "現在指定されている力場をこの分子には適用できません。UFF力場に変更します。" #~ msgid "Geometric Optimization" #~ msgstr "構造最適化" #~ msgid "Systematic Rotor Search" #~ msgstr "システマティック・ローター検索" #~ msgid "Random Rotor Search" #~ msgstr "ランダム・ローター検索" #~ msgid "Weighted Rotor Search" #~ msgstr "重みづけローター検索" #~ msgid "Genetic Algorithm Search" #~ msgstr "遺伝アルゴリズム探索" #~ msgid "ForceField" #~ msgstr "力場" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "分子力学の力場を用いた分子の最適化と配座発生" #~ msgid "&Vector Graphics..." #~ msgstr "ベクター画像(&V) ..." #~ msgid "Common vector image formats" #~ msgstr "一般的なベクタ画像フォーマット" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "ベクタ画像のエクスポート" #~ msgid "Change H to Methyl" #~ msgstr "水素原子をメチル基に変更" #~ msgid "H to Methyl" #~ msgstr "水素をメチル基に" #~ msgid "H2Methyl" #~ msgstr "水素メチル化" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "水素原子をメチル基に変える" #~ msgid "Add or remove hydrogens" #~ msgstr "水素を付加する、または取り去る" #~ msgid "Insert DNA/RNA chains" #~ msgstr "DNA/RNA鎖を挿入" #~ msgid "Peptide..." #~ msgstr "ペプチド" #~ msgid "Insert oligopeptide sequences" #~ msgstr "オリゴペプチド配列を挿入する" #~ msgid "Invert Chirality" #~ msgstr "キラリティを反転" #~ msgid "InvertChiral" #~ msgstr "キラリティ反転" #~ msgid "Invert chiral centers" #~ msgstr "キラル中心を反転" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "不明" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "双極子モーメントを推定する(D):" #~ msgid "Display standard molecular properties." #~ msgstr "一般的な分子の性質を見る" #~ msgid "Fetch by chemical name..." #~ msgstr "化学名を指定して構造を取得..." #~ msgid "Fetch from URL..." #~ msgstr "URLを指定して構造を取得..." #~ msgid "PDB Entry" #~ msgstr "PDBエントリ" #~ msgid "PDB entry to download." #~ msgstr "ダウンロードするPDBエントリ" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "ダウンロードする分子のURL" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "指定された分子をロードできませんでした: %1" #~ msgid "Network Fetch" #~ msgstr "ネットワークから取得" #~ msgid "Fetch molecule files over the network." #~ msgstr "ネットワークから分子ファイルを取得" #~ msgid "OrcaExtension Warning" #~ msgstr "Orca エクステンション 警告" #~ msgid "OrcaExtension" #~ msgstr "Orca エクステンション" #~ msgid " No vibration data found!" #~ msgstr " 振動解析データがありません!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " 振動解析データがないか、またはデータがOrca プラグイン以外で変更されまし" #~ "た!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "選択された変位データは分子に適合しません!" #~ msgid "extended Geometry File" #~ msgstr "拡張ジオメトリファイル" #~ msgid "Read Orca Outputfile" #~ msgstr "Orca アウトプットファイルを読み込む" #~ msgid "no file found" #~ msgstr "ファイルが見つかりません" #~ msgid "Somethings wrong in the file structure" #~ msgstr "ファイル構造が不正です" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "ユニットセルでファイル構造が不正です" #~ msgid "Something is wrong in the IR output! " #~ msgstr "IRアウトプットが不正です " #~ msgid "Something is wrong in the raman output! " #~ msgstr "ラマンアウトプットが不正です " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "オービタルエネルギーアウトプットが不正です " #~ msgid "No geometry found in file!" #~ msgstr "ファイルにジオメトリがありません!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "ファイルの分子は現在の分子に適合しません!\n" #~ " 続行しますか?" #~ msgid "Could not read file!" #~ msgstr "ファイルを読み込めません!" #~ msgid "Analyse Orca Output..." #~ msgstr "Orcaアウトプットを解析..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "ORCA Input Deck" #~ msgstr "ORCAインプット" #~ msgid "Show Preview" #~ msgstr "プレビューを表示" #~ msgid "Hide Preview" #~ msgstr "プレビューを隠す" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "選択されたDFT汎関数でRijCosXオプションは利用できません!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "択されたDFT汎関数でRijCosXオプションは利用できません!\n" #~ "RijCosXオプションをリセットします!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "プレビューでの変更は保存されていません!\n" #~ " 新しいプレビューでは変更は失われます!\n" #~ " 続行しますか?" #~ msgid "Intensities" #~ msgstr "強度" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::振動データがありません!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "POV-Rayイメージを保存する" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "イメージファイル (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "有効なファイル名が入力されていません" #~ msgid "Does not compute." #~ msgstr "計算しない" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "POV-Ray画像を直接レンダリング・POV-Rayファイルを保存のうちどちらのオプショ" #~ "ンも選択されていません。これでは出力が保存されませんが、よろしいですか？" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "ファイル %1 に書き込めません。 その場所に書き込む権限を持っていますか？" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Rayのスタートに失敗しました" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Rayのスタートに失敗しました。おそらく実行ファイルのパスが正しく設定さ" #~ "れていません。" #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "POV-Rayファイルを作り、POV-Rayコマンドラインプログラムを使ってレンダリング" #~ "します。" #~ msgid "Conformer Properties..." #~ msgstr "配座異性体のプロパティ..." #~ msgid "Python Terminal" #~ msgstr "Pythonターミナル" #~ msgid "pythonTerminalDock" #~ msgstr "Pythonターミナルドック" #~ msgid "Interactive python scripting terminal" #~ msgstr "インタラクティブPythonスクリプト端末" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit入力ジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Abinit入力プレビューペインへの全ての変更を破棄してプレビューテキストを更新" #~ "しますか？" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit インプット" #~ msgid "Abinit Running." #~ msgstr "Abinit実行中" #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "Abinitは既に実行中です。計算終了までお待ちください。" #~ msgid "Abinit Not Installed." #~ msgstr "Abinitがインストールされていません" #~ msgid "The abinit executable cannot be found." #~ msgstr "Abinitの実行可能ファイルが見つかりません" #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "擬ポテンシャル (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf " #~ "*.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinitを開始できません。正しくインストールされていますか？" #~ msgid "Running Abinit calculation..." #~ msgstr "AbInitを実行中..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "abinitを開始できませんでした。正しくインストールされていますか？" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton入力ファイルジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Dalton入力ファイルプレビューペインへの変更を全て破棄してプレビューテキスト" #~ "を更新しますか？" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFPファイルを選ぶ..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QMファイルを選ぶ..." #~ msgid "You must make a selection!" #~ msgstr "選択してください!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES記法変換は利用できません" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES記法変換は利用できません" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "GAMESSのインプットファイルを作る" #~ msgid "Advanced Settings Changed" #~ msgstr "詳細な設定が変化しています。" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "詳細な設定が変化しています。\n" #~ "破棄しますか？" #~ msgid "Advanced Settings Reset" #~ msgstr "詳細な設定をリセットする。" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "詳細な設定をリセットしますか？\n" #~ "設定内容は失われます！" #~ msgid "Basic Settings Reset" #~ msgstr "基本的な設定をリセットする。" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "基本的な設定をリセットしますか？\n" #~ "設定内容は失われます！" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UKインプットジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "GAMESS-UKインプットプレビューペインへの変更を全て破棄してプレビューテキス" #~ "トを更新しますか？" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UKインプット" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussianインプットジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Gaussianインプットプレビューペインへの変更を全て破棄してプレビューテキスト" #~ "を更新しますか？" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussianインプット" #~ msgid "Gaussian Running." #~ msgstr "Gaussianが実行中です" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussianは既に実行中です。計算が終わるまで待ってください。" #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussianがインストールされていません" #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03の実行ファイルを見つけられません" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03は実行しません。おそらく、正しくインストールされていません。" #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian計算が実行中..." #~ msgid "G03 Crashed." #~ msgstr "G03はクラッシュしました" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussianは適切に実行しませんでした。おそらく、適切にインストールされていま" #~ "せん。" #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "Dalton(&D)..." #~ msgid "&Gaussian..." #~ msgstr "Gaussian(&G)..." #~ msgid "&MOLPRO..." #~ msgstr "MOLPRO(&M)..." #~ msgid "&NWChem..." #~ msgstr "NSChem(&N)..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "Q-Chem*&Q)..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "LAMMPSインプットジェネレータからの警告" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molproインプットジェネレータ警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? Molproインプットプレビュー画面での変更" #~ "は失われます。" #~ msgid "Molpro Input Deck" #~ msgstr "Molproインプット" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPACインプット警告" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPACインプット" #~ msgid "MOPAC Running." #~ msgstr "MOPAC実行中" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPACは既に実行中です。計算が終わるまで待ってください" #~ msgid "MOPAC Not Installed." #~ msgstr "MOPACがインストールされていません" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPACの実行ファイルが見つかりませんでした" #~ msgid "MOPAC failed to start." #~ msgstr "MOPACのスタートに失敗しました" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPACが起動しませんでした。おそらく適切にインストールされていません。" #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC実行中" #~ msgid "MOPAC Crashed." #~ msgstr "MOPACがクラッシュしました" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPACが適切に起動しませんでした。おそらく、適切にインストールされていませ" #~ "ん。" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NewChem インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? NWChemインプットプレビュー画面での変更は" #~ "失われます。" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem インプット" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? Psi4 インプットプレビュー画面での変更は" #~ "失われます。" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 インプット" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? Q-Chem インプットプレビュー画面での変更" #~ "は失われます。" #~ msgid "QChem Input Deck" #~ msgstr "QChem インプット" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? TeraChem インプットプレビュー画面での変" #~ "更は失われます。" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem インプット" #~ msgid "Select SMARTS..." #~ msgstr "SMARTSによる選択..." #~ msgid "Add Named Selection..." #~ msgstr "名前付き選択の追加..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTSで選択" #~ msgid "SMARTS pattern to select" #~ msgstr "選択するSMARTSパターン" #~ msgid "There is no current selection." #~ msgstr "何も選択されていません。" #~ msgid "Add Named Selection" #~ msgstr "名前付き選択を追加" #~ msgid "Name cannot be empty." #~ msgstr "名前は空にできません。" #~ msgid "There is already a selection with this name." #~ msgstr "すでにこの名前は使われています" #~ msgid "Selections" #~ msgstr "選択" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "原子・結合・残基を選択..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL シェーダー..." #~ msgid "Open a vertex shader source file" #~ msgstr "頂点シェーダーソースファイルを開く" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "頂点シェーダーファイル (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "フラグメントシェーダーソースファイルを開く" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "フラグメントシェーダーファイル (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "シェーダーパラメーターファイルを開く" #~ msgid "Shader parameters files (*.params)" #~ msgstr "シェーダーパラメーターファイル (*.param)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL シェーダー" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "OpenGL 2.0 GLSL シェーダーをロードして使用する" #~ msgid "Intensity (arb. units)" #~ msgstr "インテンシティー (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "状態密度 (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "状態密度 (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "状態密度 (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "トランスミッタンス (%)" #~ msgid "Absorbance (%)" #~ msgstr "アブソーバンス (%)" #~ msgid "No intensities" #~ msgstr "データがありません" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "ロードされている分子の振動データには強度データがありません。視覚化のために" #~ "は任意の値を強度データとして入力してください。" #~ msgid "Activity" #~ msgstr "アクティビティ" #~ msgid "X Axis" #~ msgstr "X 軸" #~ msgid "Y Axis" #~ msgstr "Y 軸" #~ msgid "&Infrared Spectra Settings" #~ msgstr "赤外線スペクトルの設定(&I)" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "NMRスペクトルの設定(&N)" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "紫外線" #~ msgid "&UV Settings" #~ msgstr "紫外線スペクトルの設定(&U)" #~ msgid "&CD Settings" #~ msgstr "CDスペクトルの設定(&C)" #~ msgid "&Raman Settings" #~ msgstr "ラマンスペクトルの設定(&R)" #~ msgid "No data" #~ msgstr "データなし" #~ msgid "Dark" #~ msgstr "暗く" #~ msgid "Publication" #~ msgstr "出版用" #~ msgid "Handdrawn" #~ msgstr "手書き" #~ msgid "New Scheme" #~ msgstr "新しいスキーム" #~ msgid "Confirm Scheme Removal" #~ msgstr "確認: スキームの削除" #~ msgid "Really remove current scheme?" #~ msgstr "本当にこのスキームを削除しますか？" #~ msgid "Change Scheme Name" #~ msgstr "スキーム名を変更" #~ msgid "Enter new name for current scheme:" #~ msgstr "このスキームの新しい名前を入力:" #~ msgid "Export Calculated Spectrum" #~ msgstr "計算したスペクトルをエクスポート" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "タブ区切りフォーマット (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "タブ区切りフォーマット" #~ msgid "Comma Separated Values" #~ msgstr "カンマ区切りフォーマット (CSV)" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "スペクトルのインポート" #~ msgid "Unknown extension: %1" #~ msgstr "不明な拡張子: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IRデータ (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IRデータ (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UVデータ (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD データ (cdspectrum)" #~ msgid "Data Format" #~ msgstr "データ形式" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "ファイル形式:" #~ msgid "Load Spectral Data" #~ msgstr "スペクトルデータを読み込み" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CDファイルのフォーマットが不正です: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG 画像:" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format(TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "ウィンドウズビットマップ" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap (PPM)" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap (XBM)" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap (XPM)" #~ msgid "Save Spectra Image" #~ msgstr "スペクトル画像を保存" #~ msgid "Image successfully written to %1" #~ msgstr "画像を %1 に保存しました" #~ msgid "&Advanced <<" #~ msgstr "詳細設定(&A) <<" #~ msgid "&Advanced >>" #~ msgstr "詳細設定(&A) >>" #~ msgid "&Spectra..." #~ msgstr "スペクトル(&S)" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "量子化学計算によるスペクトルデータを可視化" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "振動解析" #~ msgid "No vibrational displacements exist." #~ msgstr "振動方向データがありません" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "量子化学計算による振動モードを可視化" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "%1振動を周波数で並び換え" #~ msgid "Super Cell Builder..." #~ msgstr "スーパーセルビルダ" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "このドキュメントは孤立系を含んでいます。ユニットセルを作成してください。" #~ msgid "Build and display crystallographic super cells" #~ msgstr "結晶のスーパーセルを作成" #~ msgid "Molecular Orbitals..." #~ msgstr "分子軌道..." #~ msgid "Orbitals" #~ msgstr "軌道" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "なし" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "ファンデルワールス" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "電子密度" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "エラー - 不明な種類" #~ msgid "Calculating VdW Cube" #~ msgstr "ファンデアワールスCubeを計算中" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "第%L1分子軌道を計算中" #~ msgid "VdW" #~ msgstr "vdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "静電ポテンシャルサーフェスはサポートされていません。" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "分子軌道やその他のサーフェスを計算" #~ msgid "&Nanotube Builder..." #~ msgstr "ナノチューブビルダ(&N)" #~ msgid "Nanotube Builder" #~ msgstr "ナノチューブビルダ" #~ msgid "Invalid Nanotube Specification" #~ msgstr "不正なナノチューブ構造" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "入力されたナノチューブは次の理由により作成できません。\n" #~ "\n" #~ "mまたはnのどちらかは1より大きい必要があります。" #~ msgid "Insert Nanotube" #~ msgstr "ナノチューブを挿入" #~ msgid "SWCNT Builder" #~ msgstr "SWCNTビルダ" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "単層カーボンナノチューブを構築します。" #~ msgid "Building..." #~ msgstr "構築中..." #~ msgid "Display point group symmetry." #~ msgstr "点群の対称性を表示" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "動画作成のためにGLウィジェットを初期化できませんでした" #~ msgid "GL widget has no molecule" #~ msgstr "GLウィジェットに分子がありません" #~ msgid "Building video " #~ msgstr "動画を作成中 " #~ msgid "Could not run mencoder." #~ msgstr "mencoderを実行できませんでした" #~ msgid "Set Aspect Ratio" #~ msgstr "アスペクト比をセット" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "現在のAvogadroの表示は%1x%2ピクセルなのでアスペクト比は%3です。\n" #~ "POV-Rayで%4x1000の画像を作成するためにはこの値を保持してください。\n" #~ "例えば1000x1000の正方形の画像を作成するためには1を入力するなど、\n" #~ "別の正の値を入力することもできます。" #~ msgid "Connect" #~ msgstr "接続" #~ msgid "Disconnect" #~ msgstr "切断" #~ msgid "&WiiTrack" #~ msgstr "&Wiiコントローラトラッキング" #~ msgid "Wii Tracking" #~ msgstr "Wiiコントローラトラッキング" #~ msgid "Track motion using Wii remotes" #~ msgstr "Wiiコントローラの動きをトラッキング" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "OpenGLコンテキストが不正です。\n" #~ "OpenGLのインストールに失敗しているか、またはOpenGLのバグです。" #~ msgid "Debug Information" #~ msgstr "デバッグ情報" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "表示サイズ: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "原子: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: インデックス%1は範囲外です。" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "'%1'形式のファイルの読み込みはサポートされていません。" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "ファイル '%1' のファイル形式の読み込みはサポートされていません。" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "ファイル'%2'からの分子%1の読み込みに失敗しました。" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: インデックス%1は範囲外です。" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "'%1'形式のファイルへの書き込みはサポートされていません。" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "ファイル'%1'のファイル形式での書き込みはサポートされていません。" #~ msgid "Could not open file '%1' for reading." #~ msgstr "ファイル'%1'を読み込みモードで開けません。" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "ファイル'%2'中の分子%1の置き換えに失敗しました。" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "ファイル %1 を読み込みモードで開けません。" #~ msgid "File %1 can not be opened for writing." #~ msgstr "ファイル %1 を書き込みモードで開けません。" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "分子ファイルの保存に失敗しました - オリジナルファイルをリネームできませ" #~ "ん。" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "分子ファイルの保存に失敗しました - 新しいファイルをリネームできません。" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "分子ファイルの保存に失敗しました - 古いファイルをリネームできません。" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "ファイル'%1'への分子の書き込みに失敗しました。OpenBabelライブラリのエラー" #~ "です。" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "ファイル %1 を書き込みモードで開けません。" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "ファイル'%1'への配座の書き込みに失敗しました。" #~ msgid "Molecule %1" #~ msgstr "分子%1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "未知の Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: チェック中 " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - スクリプトには Engine クラスが定義されていません" #~ msgid " - no module" #~ msgstr " - モジュールなし" #~ msgid "Unknown Python Extension" #~ msgstr "未知の Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: チェック中 " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - スクリプトには Extension クラスが定義されていません" #~ msgid "Unknown Python Tool" #~ msgstr "未知の Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: チェック中 " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - スクリプトには Tool クラスが定義されていません" #~ msgid "Conformer %1" #~ msgstr "配座%1" #~ msgid "Tools" #~ msgstr "ツール" #~ msgid "Align:" #~ msgstr "アラインメントの対象:" #~ msgid "Everything" #~ msgstr "全て" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "自動最適化ツール\n" #~ "\n" #~ "分子のない場所をクリックするとナビゲーションします。\n" #~ "左クリック: \t回転\n" #~ "中クリック: ズーム\n" #~ "右クリック: \t移動\n" #~ "ダブルクリック: \t表示をリセット\n" #~ "\n" #~ "最適化中:\n" #~ "左クリック: \t原子をドラッグして動かすことができます。" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "自動最適化: 力場を設定できませんでした..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "自動最適化: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "拘束条件の数: %1" #~ msgid "Steps per Update:" #~ msgstr "更新ごとのステップ数:" #~ msgid "Algorithm:" #~ msgstr "アルゴリズム:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "分子動力学法 (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "分子動力学法 (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "固定された原子を移動可能にする" #~ msgid "Ignored atoms are movable" #~ msgstr "無視された原子を移動可能にする" #~ msgid "AutoOpt Molecule" #~ msgstr "分子を自動最適化" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "分子構造を自動的に最適化" #~ msgid "AutoOptimization Settings" #~ msgstr "自動最適化の設定" #~ msgid "Auto Rotation Tool" #~ msgstr "自動回転ツール" #~ msgid "x rotation:" #~ msgstr "x 回転:" #~ msgid "x rotation" #~ msgstr "x 回転" #~ msgid "y rotation:" #~ msgstr "y 回転:" #~ msgid "y rotation" #~ msgstr "y 回転" #~ msgid "z rotation:" #~ msgstr "z 回転:" #~ msgid "z rotation" #~ msgstr "z 回転" #~ msgid "Automatic rotation of molecules" #~ msgstr "分子を自動で回転" #~ msgid "AutoRotate Settings" #~ msgstr "自動回転の設定" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "結合長: %L1" #~ msgid " Show Angles" #~ msgstr " 結合角を表示する" #~ msgid "Snap-to Threshold: " #~ msgstr "吸着のしきい値: " #~ msgid "Bond Centric Manipulate" #~ msgstr "結合中心操作" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "結合長・結合角・二面角を操作" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "結合中心操作の設定" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "距離(2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "距離(3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "二面角: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "距離" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "結合長・結合角・二面角の測定" #~ msgid "Draw Bond" #~ msgstr "結合を作成" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "原子・結合を作成・変更" #~ msgid "Draw Settings" #~ msgstr "作成の設定" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "原子及びフラグメントの移動・回転・調整" #~ msgid "Manipulate Settings" #~ msgstr "操作の設定" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "表示領域を移動・回転・拡大縮小" #~ msgid "Navigate Settings" #~ msgstr "ナビゲーションの設定" #~ msgid "Selection Mode:" #~ msgstr "選択モード:" #~ msgid "Atom/Bond" #~ msgstr "原子/結合" #~ msgid "Residue" #~ msgstr "残基" #~ msgid "Add Center of Atoms" #~ msgstr "原子の中心を追加" #~ msgid "Change color of the atom" #~ msgstr "原子のカラーを変更" #~ msgid "Change label of the atom" #~ msgstr "原子のラベルを変更" #~ msgid "Change label of the bond" #~ msgstr "結合のラベルを変更" #~ msgid "Change radius of the atom" #~ msgstr "原子半径を変更" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "新しい半径 %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "原子・残基・分子を選択" #~ msgid "Symbol" #~ msgstr "元素記号" #~ msgid "Bond Length" #~ msgstr "結合長" #~ msgid "Dihedral Angle" #~ msgstr "二面角" #~ msgid "Z Matrix Editor..." #~ msgstr "Z マトリックスエディター..." #~ msgid "Z-Matrix" #~ msgstr "Z マトリックス" #~ msgid "Create/edit a z-matrix" #~ msgstr "Z マトリックスを作成/編集" #~ msgid "Z-Matrix Settings" #~ msgstr "Z マトリックス設定" #~ msgid "Color residues by:" #~ msgstr "残基の色:" #~ msgid "Hydrophobicity" #~ msgstr "疎水度" #~ msgid "Axes:" #~ msgstr "座標軸" #~ msgid "Cartesian Axes" #~ msgstr "デカルト座標軸" #~ msgid "Orthogonal Axes" #~ msgstr "直交座標軸" #~ msgid "Axis 1:" #~ msgstr "軸 1:" #~ msgid "Axis 2:" #~ msgstr "軸 2:" #~ msgid "Axis 3:" #~ msgstr "軸 3:" #~ msgid "Origin:" #~ msgstr "原点:" #~ msgid "Norm" #~ msgstr "ノルム" #~ msgid "Preserve vector norms" #~ msgstr "ベクトルのノルムを保存" #~ msgid "Atom Radius:" #~ msgstr "原子半径:" #~ msgid "Bond Radius:" #~ msgstr "結合半径:" #~ msgid "Shape" #~ msgstr "形状" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "ループ" #~ msgid "Dipole:" #~ msgstr "双極子" #~ msgid "Custom Vector" #~ msgstr "カスタムベクトル" #~ msgid "Custom:" #~ msgstr "カスタム" #~ msgid "Width:" #~ msgstr "幅" #~ msgid "Cut-off radius:" #~ msgstr "カットオフ半径:" #~ msgid "Cut-off angle:" #~ msgstr "カットオフ角度:" #~ msgid "Rendering Engine:" #~ msgstr "レンダリングエンジン:" #~ msgid "TextRenderer" #~ msgstr "テキストレンダラ" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "テキスト:" #~ msgid "Symbol & Number in Group" #~ msgstr "元素記号及び同じ元素の中での通し番号" #~ msgid "Symbol & Atom number" #~ msgstr "元素記号及び原子の通し番号" #~ msgid "Partial charge" #~ msgstr "部分電荷" #~ msgid "Residue number" #~ msgstr "残基番号" #~ msgid "Custom data" #~ msgstr "カスタムデータ" #~ msgid "Change Font" #~ msgstr "フォントを変更" #~ msgid "x : " #~ msgstr "x " #~ msgid "y : " #~ msgstr "y " #~ msgid "z : " #~ msgstr "z " #~ msgid "Label Shift:" #~ msgstr "ラベルのオフセット:" #~ msgid "Bond length" #~ msgstr "結合距離" #~ msgid "Bond number" #~ msgstr "結合の通し番号" #~ msgid "Bond order" #~ msgstr "結合次数" #~ msgid "Lines" #~ msgstr "ライン" #~ msgid "Radius:" #~ msgstr "半径:" #~ msgid "Include Nitrogens" #~ msgstr "窒素を含める" #~ msgid "VdW Opacity:" #~ msgstr "VdW 不透明度:" #~ msgid "Orbital:" #~ msgstr "オービタル" #~ msgid "Fill" #~ msgstr "塗りつぶし" #~ msgid "Points" #~ msgstr "点" #~ msgid "Draw Box:" #~ msgstr "ボックスを描画:" #~ msgid "Mapped Colors" #~ msgstr "マップされたカラー" #~ msgid "Positive" #~ msgstr "正" #~ msgid "Negative" #~ msgstr "負" #~ msgid "Show Atoms" #~ msgstr "原子を表示" #~ msgid "Animate Trajectory" #~ msgstr "トラジェクトリをアニメーションで表示" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "ループ" #~ msgid "Save as .avi..." #~ msgstr ".avi で保存..." #~ msgid "Angstroms" #~ msgstr "オングストローム" #~ msgid "Bohrs" #~ msgstr "ボーア" #~ msgid "Fractional" #~ msgstr "フラクショナル" #~ msgid "XYZ, coords only" #~ msgstr "XYZ (座標のみ)" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS インプット #2" #~ msgid "Priroda Input" #~ msgstr "Priroda インプット" #~ msgid "Apply Changes" #~ msgstr "変更を適用" #~ msgid "Cut All" #~ msgstr "すべてをカット" #~ msgid "Paste to the End" #~ msgstr "行末へペースト" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ " \n" #~ "

原子座標をここにペースト" #~ "するｋここで編集してください。座標を含むほぼどんなテキストもペーストできま" #~ "す。

" #~ msgid "(None)" #~ msgstr "(なし)" #~ msgid "Sort by " #~ msgstr "ソート " #~ msgid "Number of atoms:" #~ msgstr "原子数:" #~ msgid "Number of rotatable bonds:" #~ msgstr "回転できる結合数:" #~ msgid "Ignore Atom" #~ msgstr "原子を無視" #~ msgid "Fix Atom" #~ msgstr "原子を固定" #~ msgid "Fix Atom X" #~ msgstr "原子のX座標を固定" #~ msgid "Fix Atom Y" #~ msgstr "原子のY座標を固定" #~ msgid "Fix Atom Z" #~ msgstr "原子のZ座標を固定" #~ msgid "Torsion angle" #~ msgstr "ねじれ角" #~ msgid "Save" #~ msgstr "保存" #~ msgid "Load" #~ msgstr "ロード" #~ msgid "Atomic &identites:" #~ msgstr "原子識別子(&i):" #~ msgid "Surface Slab Builder" #~ msgstr "表面スラブビルダー" #~ msgid "Plane:" #~ msgstr "格子面:" #~ msgid "&Miller Indices:" #~ msgstr "ミラー指数 (&M):" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "警告: 0以外のミラー指数をお使いください。" #~ msgid "Width (x)" #~ msgstr "幅(&W):" #~ msgid "Width (y)" #~ msgstr "幅(&W):" #~ msgid "Height (z)" #~ msgstr "高さ(&H)" #~ msgid "length" #~ msgstr "長さ %1" #~ msgid "cell repeats" #~ msgstr "セル繰り返し" #~ msgid "&Translate " #~ msgstr "平行移動 (&T) " #~ msgid "by arbitrary vector" #~ msgstr "任意のベクトルで" #~ msgid "selected atom to unit cell center" #~ msgstr "選択原子をユニットセルの原点に" #~ msgid "Translation vector:" #~ msgstr "平行移動ベクトル" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "エネルギー単位:" #~ msgid "Cartesian" #~ msgstr "デカルト座標" #~ msgid "&Translate" #~ msgstr "平行移動 (&T)" #~ msgid "Crystal View Options" #~ msgstr "結晶ビューオプション" #~ msgid "Unit Cell Repeats:" #~ msgstr "ユニットセル繰り返し" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "ユニットセルを表示" #~ msgid "One" #~ msgstr "1つ" #~ msgid "All" #~ msgstr "すべて" #~ msgid "Color..." #~ msgstr "色を設定..." #~ msgid "View Along:" #~ msgstr "表示" #~ msgid "Default View" #~ msgstr "デフォルトの表示" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "ミラー指数" #~ msgid "File Import..." #~ msgstr "ファイルをインポート..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "結合の検出を試みる" #~ msgid "Setup Force Field" #~ msgstr "力場をセットアップ" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "ステップ数" #~ msgid "Algorithm" #~ msgstr "アルゴリズム" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "αヘリックス" #~ msgid "Beta Sheet" #~ msgstr "βシート" #~ msgid "Pi Helix" #~ msgstr "π ヘリックス" #~ msgid "Phi:" #~ msgstr "φ:" #~ msgid "Psi:" #~ msgstr "ψ:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "残基の数:" #~ msgid "Energy (kJ/mol):" #~ msgstr "エネルギー (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "双極子モーメント (D):" #~ msgid "select Fragment" #~ msgstr "フラグメントを選択" #~ msgid "Basic" #~ msgstr "基本設定" #~ msgid "Comment" #~ msgstr "コメント" #~ msgid "Frequency" #~ msgstr "振動解析" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "フォーマット" #~ msgid "z-Matrix" #~ msgstr "zマトリックス" #~ msgid "z-Matrix compact" #~ msgstr "zマトリックス(コンパクト)" #~ msgid "Advanced" #~ msgstr "詳細" #~ msgid "Basis Set" #~ msgstr "基底" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "補助基底" #~ msgid "Aux. ECP" #~ msgstr "補助ECP" #~ msgid "Relativistic" #~ msgstr "相対論的" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "オーダー" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "相関補正基底" #~ msgid "Corr. ECP" #~ msgstr "相関ECP" #~ msgid "Run type" #~ msgstr "計算" #~ msgid "MOs" #~ msgstr "MO" #~ msgid "Basis Sets" #~ msgstr "基底" #~ msgid "Printlevel" #~ msgstr "プリントレベル" #~ msgid "Small" #~ msgstr "やや小" #~ msgid "Large" #~ msgstr "大" #~ msgid "Damping" #~ msgstr "ダンプ" #~ msgid "Factor" #~ msgstr "ファクター" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

" #~ "デフォルト値を使用しない場合選択してください

" #~ msgid "Accuracy" #~ msgstr "精度" #~ msgid "Tight SCF" #~ msgstr "高精度なSCF" #~ msgid "Very Tight SCF" #~ msgstr "非常に高精度なSCF" #~ msgid "Extreme SCF" #~ msgstr "最高精度SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "レベルシフト " #~ msgid "Levelshift" #~ msgstr "レベルシフト" #~ msgid "2nd Order" #~ msgstr "２次計算" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "SCF最大反復" #~ msgid "SCF Type" #~ msgstr "SCFタイプ" #~ msgid "restricted" #~ msgstr "制限" #~ msgid "unrestricted" #~ msgstr "非制限" #~ msgid "restricted open-shell" #~ msgstr "制限開殻" #~ msgid "DFT Functional" #~ msgstr "DFT汎関数" #~ msgid "Grid" #~ msgstr "グリッド" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray エクスポート" #~ msgid "Select..." #~ msgstr "選択..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "全シーンにアンチエイリアス" #~ msgid "Antialias" #~ msgstr "アンチエイリアス" #~ msgid "Set the background color to be transparent" #~ msgstr "背景色を透明にセット" #~ msgid "Alpha transparency" #~ msgstr "アルファ透明度" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "POV-Rayのコマンドラインを直接用いて分子を表示" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "表示完了後にPOV-Rayソースを保持" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "表示後にPOV-Rayソースを保持" #~ msgid "Path:" #~ msgstr "パス:" #~ msgid "Abinit Input" #~ msgstr "Abinit インプット" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "デカルト座標(オングストローム)" #~ msgid "Reduced" #~ msgstr "既約座標" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "平面波基底のカットオフ(Ha)" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "力の許容値(Ha/bohr)" #~ msgid "Max lattice expansion:" #~ msgstr "最大格子展開:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k点シフト" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "バンド数" #~ msgid "# k-point shifts:" #~ msgstr "k点シフト数:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "ダブルグリッド PW カットオフ (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "占有方法:" #~ msgid "SCF tolerance type:" #~ msgstr "SCFの収束判定法" #~ msgid "Wave Function norm" #~ msgstr "波動関数のノルム" #~ msgid "Total Potential" #~ msgstr "全ポテンシャル" #~ msgid "Maximum Force" #~ msgstr "力の最大値" #~ msgid "Relative Force" #~ msgstr "力の変化率" #~ msgid "1 - semiconducting" #~ msgstr "1 - 半導体" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - フェルミ・ディラック分布" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "Gaussianが実行中です" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing幅(Ha)" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - イオンを動かさない " #~ msgid "1 - viscous damping" #~ msgstr "1 - 粘性減衰" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS法 " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS法(エネルギー使用)" #~ msgid "# Geometrical time steps:" #~ msgstr "構造最適化のステップ数:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "運動エネルギースムージング (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "計算..." #~ msgid "Dalton Input" #~ msgstr "Dalton インプット" #~ msgid "Basics" #~ msgstr "基本" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "入力ファイルのタイトル行に入力した文を注釈のために追加" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "基底:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople 方式" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen の polarization consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning の correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "内殻相関関数" #~ msgid "Diffuse functions" #~ msgstr "Diffuse 関数" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G*" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "直接計算" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "可能であれば並列計算で実行（SCF波動関数計算・DFT計算でのみ有効)\n" #~ "Daltonは現在のリリースではMPIのみサポートしています\n" #~ "（正しいコンパイルとインストールが必要です）\n" #~ "ノード数はdaltonスクリプト実行中に\"-N #\"オプションで指定します。" #~ msgid "Parallel" #~ msgstr "並列計算" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "グリッドの指定" #~ msgid "Partitioning Scheme:" #~ msgstr "分配スキーム" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (オリジナル)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "グリッドの品質:" #~ msgid "coarse" #~ msgstr "粗く" #~ msgid "normal" #~ msgstr "標準" #~ msgid "fine" #~ msgstr "細かく" #~ msgid "ultrafine" #~ msgstr "非常に細かく" #~ msgid "Radial Scheme:" #~ msgstr "動径スキーム" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "すべての汎関数を表示" #~ msgid "Property:" #~ msgstr "プロパティ:" #~ msgid "Polarizability" #~ msgstr "分極率" #~ msgid "Frequency Dependent" #~ msgstr "振動数に依存" #~ msgid "No. excitations:" #~ msgstr "励起なし:" #~ msgid "Group Label:" #~ msgstr "グループラベル:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "詳細セットアップ (&A)" #~ msgid "Hessian" #~ msgstr "ヘシアン" #~ msgid "Stat Point" #~ msgstr "停留点" #~ msgid "System" #~ msgstr "システム" #~ msgid "MO Guess" #~ msgstr "MO 推測" #~ msgid "Misc" #~ msgstr "その他" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "重原子Dタイプ分極関数の数:" #~ msgid "Read" #~ msgstr "読み込み" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "重原子のS殻を diffuse" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "重原子のL殻を diffuse" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP タイプ" #~ msgid "Default" #~ msgstr "デフォルト" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "重原子Fタイプ分極関数の数:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "軽原子分極関数の数:" #~ msgid "Polar:" #~ msgstr "極性:" #~ msgid "Max SCF Iterations:" #~ msgstr "SCF 最大反復数:" #~ msgid "Gradient" #~ msgstr "勾配" #~ msgid "Trudge" #~ msgstr "非勾配最適化 (Trunge)" #~ msgid "Saddle Point" #~ msgstr "鞍点" #~ msgid "IRC" #~ msgstr "固有反応座標 (IRC)" #~ msgid "Gradient Extremal" #~ msgstr "グラジエントエクストレマルパス" #~ msgid "DRC" #~ msgstr "動的反応座標 (DRC)" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "光遷移モーメント" #~ msgid "Spin Orbit" #~ msgstr "スピン軌道結合" #~ msgid "Finite Electric Field" #~ msgstr "有限電場" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "グローバル最適化" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO 最適化" #~ msgid "Raman Intensities" #~ msgstr "ラマン強度" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "なし (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF タイプ:" #~ msgid "Localization Method:" #~ msgstr "局在化法:" #~ msgid "Exec Type:" #~ msgstr "実行タイプ:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "完全二次CI" #~ msgid "General CI" #~ msgstr "一般的 CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearized CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "通常の計算" #~ msgid "Check" #~ msgstr "チェック" #~ msgid "Debug" #~ msgstr "デバッグ" #~ msgid "Molecule Charge:" #~ msgstr "分子の電荷:" #~ msgid "Run Type:" #~ msgstr "計算タイプ:" #~ msgid "Use MP2" #~ msgstr "MP2を使用" #~ msgid "Use DFT" #~ msgstr "DFTを使用" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Z-マトリックス変数の数" #~ msgid "Ǻngstrom" #~ msgstr "オングストローム" #~ msgid "Order of Principal Axis:" #~ msgstr "主軸の位数:" #~ msgid "Coordinate Type:" #~ msgstr "座標タイプ:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "一意なデカルト座標" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPACのZ-マトリックス" #~ msgid "Use Symmetry During Calculation" #~ msgstr "計算を行う際に対称性を利用する" #~ msgid "Point Group:" #~ msgstr "点群:" #~ msgid "Minutes" #~ msgstr "分" #~ msgid "Hours" #~ msgstr "時間" #~ msgid "Days" #~ msgstr "日" #~ msgid "Weeks" #~ msgstr "週" #~ msgid "Years" #~ msgstr "年" #~ msgid "Millenia" #~ msgstr "千年" #~ msgid "MegaWords" #~ msgstr "メガワード" #~ msgid "MegaBytes" #~ msgstr "メガバイト" #~ msgid "GigaWords" #~ msgstr "ギガワード" #~ msgid "GigaBytes" #~ msgstr "ギガバイト" #~ msgid "Force Parallel Methods" #~ msgstr "必ず並列法を実施" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "中止時にコアファイルを生成" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "ヤコビ" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "メモリ:" #~ msgid "Diagonalization Method:" #~ msgstr "対角化の手法:" #~ msgid "Parallel Load Balance Type" #~ msgstr "並列負荷分散タイプ" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "ループ" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "次回の値" #~ msgid "Use External Data Representation for Messages" #~ msgstr "メッセージに外部データ表現を使用" #~ msgid "Initial Guess:" #~ msgstr "初期推定:" #~ msgid "Hückel" #~ msgstr "ヒュッケル" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "スキップ" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "αおよびβ軌道を回転させる" #~ msgid "Print the Initial Guess" #~ msgstr "初期推定を印刷する" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "他のコードとの GAMESS インターフェース" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "必ず CHECK ランを実行" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK 版)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "水で溶媒和する" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "UHF自然軌道を生成する" #~ msgid "Direct SCF" #~ msgstr "ダイレクトSCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Fock 行列の変更のみを計算" #~ msgid "Slater exchange" #~ msgstr "Slater交換汎関数" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 交換汎関数" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) 相関汎関数" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr 相関汎関数" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN 相関汎関数" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 相関汎関数" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP相関汎関数" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 交換汎関数" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) 交換汎関数" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: 1パラメータプログレッシブ相関" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) 相関汎関数" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP 相関汎関数" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP 相関汎関数" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 相関汎関数" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP 相関汎関数" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE 交換 + VWN6 相関汎関数" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE 交換 +LYP 相関汎関数" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE 交換 + OP 相関汎関数" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE 交換 + LYP 相関汎関数" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT 汎関数" #~ msgid "AO Integral Storage" #~ msgstr "AO積分の保管場所" #~ msgid "Duplicated on Each Node" #~ msgstr "各ノードで複製" #~ msgid "Distributed Across All Nodes" #~ msgstr "すべてのノードに分散させる" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "MP2特性を計算する" #~ msgid "Integral Retention Cutoff:" #~ msgstr "積分保持カットオフ値:" #~ msgid "Use Localized Orbitals" #~ msgstr "局在化軌道を使用する" #~ msgid "# of Core Electrons:" #~ msgstr "コア電子の数" #~ msgid "Transformation Method" #~ msgstr "変換法" #~ msgid "Two Phase Bin Sort" #~ msgstr "2相2分木ソート" #~ msgid "Segmented Transformation" #~ msgstr "分割変換" #~ msgid "Numeric" #~ msgstr "数値" #~ msgid "Double Differenced Hessian" #~ msgstr "二次微分ヘシアン行列" #~ msgid "Print Internal Force Constants" #~ msgstr "内部座標による力の定数を印刷する" #~ msgid "Displacement Size:" #~ msgstr "変位の大きさ：" #~ msgid "Purify Hessian" #~ msgstr "ヘシアンをクリーンアップ" #~ msgid "Frequency Scale Factor:" #~ msgstr "振動数のスケーリング因子:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "初期ヘシアン行列" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "$HESSから読み込む" #~ msgid "Update Step Size" #~ msgstr "ステップ幅を更新する" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "繰り返しごとに軌道を印刷する" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "定留点" #~ msgid "Initial:" #~ msgstr "初期値:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Newton-Raphson" #~ msgid "Quadratic Approximation" #~ msgstr "二次近似" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (準i-NR)" #~ msgid "Constrained Optimization" #~ msgstr "制約付き最適化" #~ msgid "Recalculate Hessian Every:" #~ msgstr "毎回ヘシアン行列を再計算する" #~ msgid "Follow Mode:" #~ msgstr "次のモードにしたがう:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK インプット" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Avogadro による GAMESS-UK インプット" #~ msgid "Transition State Search" #~ msgstr "遷移状態検索" #~ msgid "Basis:" #~ msgstr "基底関数:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-マトリックス" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "ダイレクトモードでは積分値はディスクに保存されませんが、必要に応じて再計算" #~ "されます。\n" #~ "高速なプロセッサとアクセスの遅いディスクを持つ現代的なシステムでは\n" #~ "ダイレクトモードの方がおおむね高速です。" #~ msgid "Run in direct mode:" #~ msgstr "ダイレクトモードで実行:" #~ msgid "Gaussian Input" #~ msgstr "Gaussianの入力" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "標準" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "チェックポイント:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-マトリックス（コンパクト）" #~ msgid "MOLPRO Input" #~ msgstr "MOLPROの入力" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro バージョン:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC インプット" #~ msgid "Quartet" #~ msgstr "カルテット" #~ msgid "Quintet" #~ msgstr "クインテット" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem インプット" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP5" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem インプット" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem インプット" #~ msgid "B3LYP1" #~ msgstr "B3LYP5" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "非制限" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "なし" #~ msgid "yes" #~ msgstr "あり" #~ msgid "Dispersion:" #~ msgstr "分散:" #~ msgid "Load Shaders" #~ msgstr "シェーダをロードする" #~ msgid "Shader Name:" #~ msgstr "シェーダ名:" #~ msgid "Vertex Shader:" #~ msgstr "頂点シェーダ:" #~ msgid "Fragment Shader:" #~ msgstr "フラグメントシェーダ:" #~ msgid "Assign Shader" #~ msgstr "シェーダを指定する" #~ msgid "Display Type:" #~ msgstr "表示タイプ:" #~ msgid "Font:" #~ msgstr "フォント :" #~ msgid "Change Font..." #~ msgstr "フォントを変更..." #~ msgid "Foreground:" #~ msgstr "前景色:" #~ msgid "New..." #~ msgstr "新規..." #~ msgid "Rename..." #~ msgstr "名称変更..." #~ msgid "&Schemes:" #~ msgstr "スキーム(&S)" #~ msgid "&DPI:" #~ msgstr "DPI(&D)" #~ msgid "&Width:" #~ msgstr "幅(&W):" #~ msgid "&Height" #~ msgstr "高さ(&H)" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "&Save Image..." #~ msgstr "画像を保存(&S)..." #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "スキームが指定したフォントサイズの代わりに最適化された値を使用しまする（画" #~ "面から画像へのポイントサイズの変換はうまくいかない！）" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "フォントサイズの自動調整 (&o)" #~ msgid "Spectra Tab" #~ msgstr "スペクトルタブ" #~ msgid "&Gaussian Width:" #~ msgstr "ガウス関数の幅 (&G) :" #~ msgid "&Label peaks" #~ msgstr "ピークをラベル (&L)" #~ msgid "Rotatory Strength type:" #~ msgstr "回転の強さのタイプ:" #~ msgid "Energy units:" #~ msgstr "エネルギー単位:" #~ msgid "Density units" #~ msgstr "密度単位" #~ msgid "Fermi Energy: " #~ msgstr "フェルミエネルギー: " #~ msgid "States / Cell" #~ msgstr "1セルあたり状態数" #~ msgid "States / Atom" #~ msgstr "1原子あたり状態数" #~ msgid "States / Valence electron" #~ msgstr "1価電子あたり状態数" #~ msgid "Fermi energy at zero" #~ msgstr "ゼロ点フェルミエネルギー" #~ msgid "Scale integrated DOS" #~ msgstr "積算状態密度でスケール" #~ msgid "Show integrated DOS" #~ msgstr "積算状態密度を表示" #~ msgid "tab_IR_Raman" #~ msgstr "IR ラマンラブ" #~ msgid "&Y Axis Units:" #~ msgstr "Y軸の単位(&Y)" #~ msgid "Scaling Type:" #~ msgstr "スケーリングタイプ:" #~ msgid "Relative" #~ msgstr "相対値" #~ msgid "Laser Wavenumber:" #~ msgstr "レーザー波数:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "核:" #~ msgid "Gaussian &Width:" #~ msgstr "ガウス関数の幅(&W):" #~ msgid "Reset &Plot Axes" #~ msgstr "軸をリセットしてプロットする" #~ msgid "Label Peaks:" #~ msgstr "ピークをラベル:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "分子振動" #~ msgid "Filter: " #~ msgstr "フィルタ: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "アクティビティ (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "スペクトルを表示 (&S)..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "高振動数の振動を速い運動で表示" #~ msgid "Animation speed set by frequency" #~ msgstr "振動数に応じたアニメーション速度" #~ msgid "Display force &vectors" #~ msgstr "力のベクトルを表示 (&v)" #~ msgid "&Normalize displacements" #~ msgstr "変位を正規化 (&N):" #~ msgid "&Recalculate All" #~ msgstr "すべて再計算 (&R)" #~ msgid "Default &Quality:" #~ msgstr "デフォルトの画質 (&Q):" #~ msgid "Show occupied orbitals first" #~ msgstr "最初に占有軌道を表示" #~ msgid "Limit orbital precalculations to " #~ msgstr "軌道の前計算を " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "個の HOMO/LUMO 周辺軌道に限定" #~ msgid "Surface Type:" #~ msgstr "表面のタイプ:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "低" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "中" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "高" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "最高" #~ msgid "Isosurface cutoff value" #~ msgstr "等値面のカットオフ値" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "表示タイプ:" #~ msgid "New Display" #~ msgstr "新規表示" #~ msgid "Advanced..." #~ msgstr "詳細..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "長さ(&L):" #~ msgid "Uni&t:" #~ msgstr "単位(&T)" #~ msgid "periodic units" #~ msgstr "周期単位" #~ msgid "angstrom" #~ msgstr "オングストローム" #~ msgid "bohr radii" #~ msgstr "ボーア半径" #~ msgid "nanometers" #~ msgstr "ナノメートル" #~ msgid "&Cap with hydrogen" #~ msgstr "水素終端(&C)" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "これには時間がかかるおそれがあります。\n" #~ "原子座標のみが必要の場合（量子力学計算に必要な場合など）、\n" #~ "単結合のみによる表示で十分でしょう。" #~ msgid "Find &double bonds" #~ msgstr "二重結合を検出(&D)" #~ msgid "Molecular Symmetry" #~ msgstr "分子の対称性" #~ msgid "Display visual cues" #~ msgstr "3D 矢印を表示" #~ msgid "Python Settings" #~ msgstr "Python 設定" #~ msgid "Z Matrix Editor" #~ msgstr "Z-マトリックスエディタ" OpenChemistry-avogadrolibs-ceb949f/i18n/ka.po000066400000000000000000011034231516317240700212100ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2021 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Temuri Doghonadze , 2022. # Temuri Doghonadze , 2022, 2023, 2024, 2025, 2026. # Weblate Translation Memory , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.95.1\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-28 05:09+0000\n" "Last-Translator: Temuri Doghonadze \n" "Language-Team: Georgian \n" "Language: ka\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "დავალებების კრებული #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "შეტყობინება მითითებული არაა." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "დაბრუნებული გაფრთხილება სტრიქონი არაა." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'გაფრთხილებების' წევრი მასივს არ წარმოადგენს." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "ფაილის (%1) შევსების შეცდომა: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "სკრიპტის გამოტანა:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "მოლეკულის წარმოდგენის სტრიქონში შენახვის შეცდომა: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 შეყვანის გენერატორი" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "გაგრძელება" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "დახურვა" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "უცნობი" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 გამოთვნის გადაცემა" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "დავალების შეცდომა" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "დავალება წარმატებით არ დასრულებულა." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "სკრიპტმა დააბრუნა გაფრთხილებები:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "გაფრთხილებების &დამალვა" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "გაფრთხილებების &ჩვენება" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "შეცდომა ოპერაციის შესრულებისას:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "აირჩიეთ გამოტანის ფაილის სახელი" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "შიდა შეცდომა: ტექსტური ვიჯეტის პოვნა ფაილისთვის '%1' შეუძლებელია" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "გამოტანის შეცდომა" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "ფაილის ჩაწერის შეცდომა: %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "აირჩეთ გამოტანის საქაღალდე" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: საქაღალდე არ არსებობს!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: საქაღალდის წაკითხვის შეცდომა!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: ფაილს თავზე გადაეწერება." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: ფაილი ჩაწერადი არაა." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "დავალების მორგება" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "ლოდინის შეწყვეტა" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "პროგრამა არჩეული არაა." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "შიდა შეცდომა." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat-ში მოლეკულა დაყენებული არაა!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "BackgroundFileFormat-ში Io::FileFormat დაყენებული არაა!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat-ში ფაილის სახელი მითითებული არაა!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "ჰორიზონტალურად გაყოფა" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "ვერტიკალურად გაყოფა" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "წყალბადი" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "ჰელიუმი" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "ლითიუმი" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "ბერილიუმი" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "ბორი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "ნახშირბადი" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "აზოტი" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "ჟანგბადი" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "ფთორი" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "ნეონი" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "ნატრიუმი" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "მაგნიუმი" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "ალუმინი" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "სილიციუმი" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "ფოსფორი" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "გოგირდი" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "ქლორი" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "არგონი" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "კალიუმი" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "კალციუმი" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "სკანდიუმი" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "ტიტანი" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "ვანადიუმი" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "ქრომი" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "მანგანუმი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "რკინა" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "კობალდი" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "ნიკელი" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "სპილენძი" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "თუთია" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "გალიუმი" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "გერმანიუმი" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "დარიშხანი" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "სელენი" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "ბრომი" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "კრიპტონი" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "რუბიდიუმი" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "სტრონციუმი" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "იტრიუმი" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "ცირკონიუმი" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "ნიობიუმი" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "მოლიბდენი" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "ტექნეციუმი" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "რუთენიუმი" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "როდიუმი" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "პალადიუმი" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "ვერცხლი" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "კადმიუმი" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "ინდიუმი" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "კალა" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "სტიბიუმი" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "ტელური" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "იოდი" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "ქსენონი" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "ცეზიუმი" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "ბარიუმი" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "ლანთანი" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "ცერიუმი" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "პრაზეოდიმიუმი" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "ნეოდიმიუმი" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "პრომეთიუმი" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "სამარიუმი" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "ევროპიუმი" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "გადოლინიუმი" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "ტერბიუმი" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "დისპროზიუმი" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "ჰოლმიუმი" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "ერბიუმი" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "თულიუმი" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "იტერბიუმი" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "ლუტეციუმი" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "ჰაფნიუმი" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "ტანტალი" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "ვოლფრამი" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "რენიუმი" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "ოსმიუმი" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "ირიდიუმი" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "პლატინა" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "ოქრო" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "ვერცხლისწყალი" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "თალიუმი" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "ტყვია" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "ბისმუტი" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "პოლონიუმი" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "ასტატი" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "რადონი" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "ფრანციუმი" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "რადიუმი" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "აქტინიუმი" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "თორიუმი" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "პროტაქტინიუმი" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "ურანი" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "ნეპტუნიუმი" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "პლუტონიუმი" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "ამერიციუმი" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "კურიუმი" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "ბერკლიუმი" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "კალიფორნიუმი" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "აინშტანიუმი" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "ფერმიუმი" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "მენდელეევიუმი" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "ნობელიუმი" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "ლოურენციუმი" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "რეზერფორდიუმი" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "დუბნიუმი" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "სიბორგიუმი" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "ბორიუმი" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "ჰასიუმი" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "მეიტნერიუმი" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "დარმშტადტიუმი" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "რენტგენიუმი" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "კოპერნიციუმი" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "ნიჰონიუმი" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "ფლეროვიუმი" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "მოსკოვიუმი" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "ლივერმორიუმი" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "ტენესინი" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "ოგანესონი" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "დათვალიერება" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "აირჩიეთ ფაილი:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "აირჩიეთ გამშვები ფაილი:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "დამმუშავებლები" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "სახელური" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "მკითხველები" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "კითხვა" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "ჩამწერები" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "ჩაწერა" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "ყველა ფაილი" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "ყველა მხარდაჭერილი ფორმატი" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 შეტყობინება" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "მოლეკულის წარმოდგენის სტრიქონში ჩაწერის შეცდომა: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "სათაური" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "პროცესორის ბირთვები" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "მეხსიერება" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "გამოთვლის ტიპი" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "თეორია" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "ბაზისი" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "მუხტი" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "გამრავლებადობა" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "მოდელი" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "მომხმარებლის სახელი" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "პაროლი" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[მოლეკულის გარეშე]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "ფენა %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "მულტფილმი" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "კონტაქტების დახურვა" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "კრისტალური მესერი" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "ძალა" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "ჭდეები" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "ზედაპირები" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "არაკოვალენტური" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "სიმეტრიის ელემენტები" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "ვან დერ ვაალსი" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "ვან დერ ვაალსი (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "ტომები" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "ჩონჩხი" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "უსახელო" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "ახალი ხედის შექმნა" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "პერიოდული სისტემა" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "ფრთხილად '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "სკრიპტის გაშვების შეცდომა." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "სკრიპტი ავარიულად დასრულდა." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "სკრიპტის მოლოდინის დრო გავიდა." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "წაკითხვის შეცდომა." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "ჩაწერის შეცდომა." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "უცნობი შეცდომა." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "ფენების ჩასწორება" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "ფენის წაშლა" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "ფენის ინფორმაციის წაშლა" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "ფენის დამატება" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "ფენის ინფორმაციის დამატება" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "ფენების შეცვლა" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "ატომის დამატება" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "ატომის წაშლა" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "ატომის გასუფთავება" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "წყალბადების დალაგება" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "ელემენტების შეცვლა" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "ელემენტის შეცვლა" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "ატომის ჰიბრიდიზაციის შეცვლა" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "ატომის ფორმალური მუხტის შეცვლა" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "ატომის ფერის შეცვლა" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "ატომის ფენის შეცვლა" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "ბმის დამატება" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "წაშლილი მიბმა" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "ბმის გასუფთავება" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "ბმის მიმდევრობის დაყენება" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "ბმის მიმდევრობის შეცვლა" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "ბმების განახლება" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "ბმის განახლება" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "ერთეულის უჯრედის დამატება…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "ერთეულის უჯრედის წაშლა" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "ერთეულის უჯრედის ჩასწორება" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "უჯრედის მოცულობის შეცვლა" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "ზეუჯრედის აშენება" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "უჯრედის სიმეტრიზაცია" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "ატომის მდებარეობების შეცვლა" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "ატომის მდებარეობის შეცვლა" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "ატომის ჭდის შეცვლა" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "მონიშნულის შეცვლა" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "მორგება" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "გამოთვლა…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&ფაილი" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&გატანა" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "3DMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "ელემენტების შეცვლა…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&აგება" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "ელემენტი:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "სწორება" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "ღერძი:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "გასწორების ხელსაწყო" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "გამოტანის ფაილის გახსნა…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&შეყვანა" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "გამოტანის ფაილის გახსნა" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX ფაილი (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "შ/გ-ის შეცდომა" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "სტრუქტურის ფაილის (%1) წაკითხვის შეცდომა." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX-ის შეცდომა" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB ფაილის გახსნა" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB ფაილები (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR ფაილის გახსნა" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR ფაილები (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "შეცდომა" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "წარმატება" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "ფაილის შენახვის შეცდომა: %1 ." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "დაშორებით…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "ელემენტით" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "ნაწილობრივი მუხტით…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "მეორადი სტრუქტურით" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "პარულა" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "სითბო" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "ცხელი" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "ნაცრისფერი" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "ჯოჯოხეთი" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "პლაზმა" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "სპექტრალური" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "ნელთბილი" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "ბალანსი" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "ტურბო" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&ხედი" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "ფერადი ატომები" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "აირჩიეთ ფერების რუკა" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "ფერების რუკა:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ფერებისგადატარება" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "ოპტიმიზაცია" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "დინამიკა" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "მეთოდი:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "ტემპერატურა:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "დაწყება" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "გაჩერება" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "გეომეტრიის ოპტიმიზაცია" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "მოლეკულური დინამიკა" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "_გაუმჭვირვალობა" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "წყალბადების ჩვენება" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "ბმის მიმდევრობის აღქმა" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "ბმების წაშლა" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "მონიშნული ატომების მიბმა" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "ბმა" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "ბმის მიმდევრობის აღქმა." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "მიბმა" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "კარკასი" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "ტრეისი" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "მილი" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "ლენტა" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "მულტფილმი" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "თოკი" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "ცენტრის მასის დამატება" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "მართვა" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "მაქსიმალური დაშორება:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "ხაზის სიგანე:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "კონტაქტი" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "მარილის ხიდი" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&გაფართოებები" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "სკრიპტები" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "გამოტანის ფაილის '%1' წაკითხვის შეცდომა:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "%1-ის დამუშავება" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "ბრძანების სკრიპტები" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "სხვა…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "შეზღუდვები…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&გამოთვლა" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "შეზღუდვები" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "მანძილი" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "კუთხე" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "ტიპი" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "მნიშვნელობა" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "ატომი 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "ატომი 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "ატომი 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "ატომი 3" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "კოორდინატების რედაქტორი" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "გადავაწერო ცვლილებები?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "ერთ ხაზზე ძალიან ბევრი ელემენტია." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "ელემენტის არასწორი სახელი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "ელემენტის სახელი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "ელემენტის არასწორი სიმბოლო." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "ელემენტის სიმბოლო." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "არასწორი ატომის ჭდე." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "არასწორი ატომური ინდექსი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "ატომური ინდექსი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "არასწორი ატომური ნომერი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "ატომური ნომერი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "არასწორი კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' ბადის კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' ბადის კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' ბადის კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "გეომეტრიის გადატარების შეცდომა" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "ხელით" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ ფორმატი (სიმბოლოები)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ ფორმატი (სახელები)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ ფორმატი (ატომური ნომრები)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "კოპირება" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "ამოჭრა" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "წაშლა" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&ჩასმა" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&ჩასწორება" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "კოპირება, როგორც" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "გამოტანის ფორმატი: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "წამკითხველის შეცდომა:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "მოლეკულის ჩასმის შეცდომამ" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "ნაპოვნია ფორმატი: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "კოპირეფა და ჩასმა" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "ბუფერთან ურთიერთობა." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K შეტანა" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "ენერგია" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "ენერგია და ძალები" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "გეომეტრიის ოპტიმიზაცია" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "მოლეკულური მექანიკა" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "არცერთი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "ბირთვი" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "სიმკვრივეები" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "შემთხვევითი" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "გადატვირთვა" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "CP2K გამოთვლის გადაცემა" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "ერთეულის უჯრედის ჩასწორება…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "უჯრედის &მოცულობის მასშტაბი…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "&ზეუჯრედის აგება…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&კრისტალი" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&ერთეულის უჯრედის წაშლა" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "ე&რთეულის უჯრედის დამატება" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "კრისტალი" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "ფერის ღერძები:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "ხაზის ფერი:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "ტექსტის დამუშავების შეცდომა" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "ხატვა" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "ატომის დახატვა" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "ბმის ტიპის შეცვლა" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "ბმის წაშლა" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "მანძილი:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "რედაქტორი" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "ავტომატური" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "ერთი" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "ორმაგი" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "სამმაგი" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&შემოტანა" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB-ის გადმოწერა" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB კოდი" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "გადმოსაწერი ქიმიური სტრუქტურა." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "%1-ის გამოთხოვა" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "ქსელიდან გადმოწერის შეცდომა" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "ქსელის დრო ამოიწურა ან სხვა შეცდომა." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB-დან გადმოწერა" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "ფოკუსის არჩევა" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "ფოკუსის მოხსნა" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "ფოკუსი" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "მორგება…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "მონიშნული ატომების გაყინვა" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "მონიშნული ატომების გადნობა" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "მონიშნული ატომების შერწყმა" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "მონიშნული ატომების განცალკევება" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "ძალის ველის ოპტიმიზაცია" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "ავტოამოცნობა (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "სიხშირეები" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "არაფერი" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "აირი" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "წყალი" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "ერთმაგი" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "ორმაგი" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "სამმაგი" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "დიკათიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "კათიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "ნეიტრალური" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "ანიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "დიანიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "GAMESS გამოთვლის გადაცემა" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&წყალბადების დალაგება" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "წყალბადების დამატება" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "&ზედმეტი წყალბადების წაშლა" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&ყველა წყალბადის წაშლა" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&წყალბადები" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "წყალბადები" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&PQR-ის მოძებნა…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR_დან შემოტანა" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&ჩასმა" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNA-ის ჩასმა…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "ურაცილი" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "ტერა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "თიმინი" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "მოლეკულის ჩასმა…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNA-ის ჩასმა" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "მოლეკულა…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "კრისტალი…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "ფაილის წაკითხვის შეცდომა (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "კრისტალის შემოტანა" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "ფრაგმენტის ჩასმა" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "ფრაგმენტის ჩასმა" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "ფერი:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "მანძილი ცენტრიდან:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "ინდექსი" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "ელემენტი" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "ელემენტი და ნომერი" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "ნაწილობრივი მუხტი" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "ატომის ჭდე:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "სიგრძე" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "სახელი" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "ჭდეების გამართვა" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "ჭდის შექმნა" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "გაუმჭვირვალობა:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "გადაადგილება" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "მანიპულაციის ხელსაწყო" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "გაზომვა" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "ორწახნაგა:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "კუთხე:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "მანძილმზომი" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(დარჩენილი)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "მოლეკულის სახელი" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "ქიმიური ფორმულა" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "ატომების რიცხვი" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "ბმების რიცხვი" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&მოლეკულარული…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&ანალიზი" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&თვისებები" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "მოლეკულური თვისებები" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "მოლეკულის თვისებები" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "CSV-ის გატანა" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV ფაილები (*.csv);;ყველა ფაილი (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "ფაილის ჩასაწერად გახსნა ვერ ხერხდება." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "ფაილში ჩაწერის შეცდომა." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "გატანა…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "ნავიგაცია" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "ნავიგაციის ხელსაწყო" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "ქიმიური სახელი" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "ქსელური მონაცემთა ბაზები" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "კუთხის თვისებები:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "ჰალოგენი" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "ქალკოგენი" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "წყალბადების წაშლა" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "გენერაცია…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1-ის გაშვება…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "მოლეკულის განახლება…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "%1-ის გაშვება…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "მწვერვალი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "სიმართლე" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "ფაილების შენარჩუნება" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "სტატუსი" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "ვერსია" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "აღწერა" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "გაფრთხილება: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "დამკვრელი" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "ჩარჩო:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "დასაწყისი:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "კადრების სიხშირე:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " კადრი/წმ" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "დაკვრა" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "ჩანაწერი…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "შეჩერება" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "ვიდეო (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Bitmap გრაფიკის ექსპორტი" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "ვიდეო (*.mp4);;ვიდეო (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "ვიდეო (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "შეცდომის შეტყობინება: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "შეცდომა: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "განახლება" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "ყოველთვის" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "არასდროს" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "დამატებების გადმოწერა…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "დამატებების გადმოწერა" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "დამატებების გადმოწერა GitHub რეპოზიტორიებიდან." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY რენდერი…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "ფაილის შენახვა" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.wrl);;ტექსტური ფაილი (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray რენდერი…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;ტექსტური ფაილი (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "ვალენსი" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "ფორმალური მუხტი" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "ნაწილობრივი მუხტით %1" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "ჭდე" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "ფერი" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "ატომი" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "საწყისი ატომი" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "საბოლოო ატომი" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "სიგრძე (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "ჯაჭვი" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "მეორეული სტრუქურა" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "ჰეტეროგენი" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "წვერო" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "კუთხე (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "ფრაგმენტის მორგება" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π სპირალი" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "ბენდი" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α სპირალი" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β ფურცელი" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 სპირალი" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β ხიდი" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "გრუპეტო" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "კოჭა" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "ატომის თვისებები…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "ბმის თვისებები…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "კუთხის თვისებები…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "ნარჩენების თვისებები…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "თვისებისცხრილები" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "ატომის თვისებები" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "ბმის თვისებები" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "კუთხის თვისებები" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "ნარჩენების თვისებები" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "ნაწილობრივი მუხტის ტიპი" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "WFN ფაილის გახსნა" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN ფაილები (*.wfn);;ყველა ფაილი (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "ცენტრი" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "ხედის სწორება ღერძებზე" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "ხედის სწორება ღერძებზე." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "დამუხტული მოდელების სკრიპტი" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "ყველას მონიშვნა" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "მონიშვნის მოხსნა" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "მონიშვნის ინვერსია" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "ელემენტის მიხედვით მონიშვნა…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "ატომის ინდექსის მიხედვით მონიშვნა…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "არჩევა ნალექით…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "აირჩიეთ ხერხემალი ატომები…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "აირჩიეთ გვერდითი ატომები…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "აირჩიეთ წყალი" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "მონიშვნის გადიდება" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "მონიშნულის დაპატარავება" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "მონიშნულების შეცვლა" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&მონიშვნა" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "მონიშნეთ ელემენტი" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "აირჩიეთ ხერხემალი" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "აირჩიეთ გვერდები" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "ატომების არჩევა ინდექსით" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "აირჩიეთ ატომი" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "ატომების არჩევა ნალექით" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "აირჩიეთ ნარჩენი" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "არჩევა" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "მონიშნული" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "მონიშვნის ხელსაწყო" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "ახალი ფენა" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "სიმეტრიზაცია" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "წარუმატებელი" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "საერთაშორისო" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "ჰოლი" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "ჰერმან-მოგენი" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "კოსმოსური ჯგუფი" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "სპექტრის დახაზვა…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "სპექტრები" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "ელექტრონული" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "აირჩიეთ ფონის ფერი" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "აირჩიეთ წინა პლანის ფერი" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "ტალღის სიგრძე (ნმ)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "გადაცემის ხაზები" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "რამანის სპექტრი" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "ინტენსივობა" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR სპექტრი" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "ქიმიური წანაცვლება (პპმ)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "სიმკვრივე" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "შემოტანილია" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "მონაცემების შემოტანა" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "ზედაპირი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "ტომი" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "სტილი:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "სიმეტრია" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "სპინის სიმკვრივე" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "მო %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(უდმო)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(უმდდმო)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "ფაილიდან" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "ზედაპირების შექმნა…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "მოლეკულური ორბიტალის რენდერი." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "ელექტრონების სიმკვრივის რენდერი." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "ელექტრონების სიმკვრივის გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "სპინის სიმკვრივის გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "მოლეკულური ორბიტალის %L1 გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "ვიდეო AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "ვიდეოს გატანა" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "კინო MP4 (*.mp4);;ფილმი AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "კლასი" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "სიმეტრია…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "ჯგუფი %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "შაბლონი" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "გაცვლის ბუფერი" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "შაბლონის ჩასმა" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "ლიგანდის ჩასმა" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "შაბლონის ხელსაწყო" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "ვიბრაციები" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML რენდერი…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;ტექსტური ფაილი (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-space" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "ფერმის დონე" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "შეცდომა: %1-ის გაშვების შეცდომა" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "ფანჯარა" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "ფორმა" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "საწყისი პარამეტრები" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "გამოთვლის გადაცემა…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "განახლება" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "პროცესორის ბირთვები:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "ფრაგმენტის ჩასმა…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "ფილტრი:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "ჩამატება" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "ბუფერში კოპირება" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB ფაილი:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "ძალის ველი:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "წარმატება!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "ნაწილობრივი მუხტები" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "მუხტის მოდელი:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "მინიმალური დაშორება:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "გარემოს სახელი:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "გარემო:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "შეზღუდვების დამატება" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "ტიპი:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "მნიშვნელობა:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "დამატება" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "მორგება" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "შეზღუდვის მიღება" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "მონიშნულის წაშლა" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "ყველას წაშლა" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "დიახ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "კოორდინატების რედაქტორი" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "პრესეტი:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "ანგსტრემი" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "ბორი" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "ფორმატი:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "დახმარება…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "ჩასმა" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "დაბრუნება" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "გასუფთავება" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "გამოყენება" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K შეტანა" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "ყველა საწყისი მნიშვნელობის დაბრუნება" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "ნაგულისხმევი მნიშვნელობები" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "ფაილის შენახვა…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "ძ&ირითადი პარამეტრები" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "სათაური:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "დავალება" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "გამოთვლა:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "ფუნქციონალი" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "მმ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "გამოყენება" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&დაბრუნება" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&დამალვა" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "უჯრედის მოცულობის ერთეულის მასშტაბი" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "გადიდები&ს მასშტაბი:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "მიმდინარე მოცულობა:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "ტექსტური ჭდე" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "ენერგიის კონვერგენცია:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " ერთეული" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " ნაბიჯები" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "ძალის ველი:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "ავტოამოცნობა" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "სად:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "გამრავლებადობა:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "რასთან:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "მუხტი:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR-დან შემოტანა…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "ძებნა" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "სახელი" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "ჭდე" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "სინონიმი" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "ფორმულა" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "ფორმულა:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "ჩამოტვირთვა" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "სახელი:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "ნუკლეინის მჟავების ჩასმა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "დნმ /რნმ-ის ამგები" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "დნმ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "რნმ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "ნუკლეინის მჟავები:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "ადენინი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "ციტოზინი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "გუანინი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "ტერა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "მიმდევრობა:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "ზეტა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "სხვები" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "ერთი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "ორმაგი" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α სპირალი" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β ფურცელი" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 სპირალი" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π სპირალი" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "საზომი ერთეულები" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "რეალი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "ლითონი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "ელექტრონი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "ატომის სტილი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "კუთხე" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "ატომური" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "გადაბმა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "მუხტი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "დიპოლი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ელიფსოიდი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "მთლიანი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "ხაზი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "მეზო" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "მოლეკულური" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "პერი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "სფერო" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "ტრი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "ტალღის პაკეტი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "ანსამბლი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "ტემპერატურა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "დროის ბიჯი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "ზომები" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "საზღვარი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "რეპლიკაცია" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "სულ ბიჯები" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "გაუსი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "ფორმა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "გამოტანა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "ერთი ხაზი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "მრავალხაზიანი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "ფორმის გამოყენება" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "გენერაცია…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "დესკრიპტორი:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "გადატანა მოძრაობით:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "საწყისი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-ღერძი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-ღერძი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-ღერძი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "გადატანა:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "არჩეული ატომები" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "მეთოდი" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "კონფორმერების რაოდენობა:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "შვილები:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "დადუმებადობა:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "კონვერგენცია:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "მარტივი" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "ენერგიის კონვერგენცია:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "სკრიპტი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "ძალის ველი:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "პლატფორმა:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "მიბმა" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "სიზუსტე:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "ერთი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "შერეული" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "ორმაგი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "მოკვეთის გარეშე" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "ევალდი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "შეზღუდვები:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H Bonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "ყველა ბმა" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "ტყუილი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "ინტეგრატორი:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "ყავისფერი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "მონტე კარლო" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "წნევა:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "დრო" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "სიჩქარე" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "მიმდინარეობა" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF ნახაზის პარამეტრები" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "წერტილების რაოდენობა:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "მაქს. სიგანე:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "ტალღის სიგრზე:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "მონიშნულის გადმოწერა" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "კოვალენტური" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "კონსტანტის ზომა" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "ფერის გადატარება" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "გადიდების ფაქტორი:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "წანაცვლება:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "მაქს. სიგანე:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "ერთეულები:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&გარეგნობა" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "ფერის დაყენება…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "ფონტის ზომა:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "ხაზის სიგანე:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "ჩვენება" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "შ&ემოტანა…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "ფონი:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "გამოთვლილი სპექტრი:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "გ&ატანა…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "მონაცემების გატანა" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&დახურვა" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&მორგება…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "ხარისხი: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "ძალიან დაბალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "დაბალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "საშუალო" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "მაღალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "ძალიან მაღალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "რენდერი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "მორგება" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "ზედაპირების შექმნა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "ზედაპირი:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "ალფა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "ბეტა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "გაფერადება:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "გარჩევადობა:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "მოგლუვება:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "ღია" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "ძლიერი" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "გამოთვლა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "მოლეკულა" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "ოპერაციები" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "სიმეტრიის ელემენტები:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "ქვეჯგუფები" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "ქვეჯგუფები:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "დაშვება:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "ვიწრო" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "ჩვეულებრივი" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "ცენტრები" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "ფორმალური მუხტი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "კოორდინაცია:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: წრფივი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2:წრფივი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "ლიგანდები" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "მონოდენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "ბიდენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "ტრიდენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "ტეტრადენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "ჰექსადენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "გაცვლის ბუფერიდან" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "ლიგანდი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "ჯგუფები" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "ჯგუფი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "ამიდი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "კარბოქსილატი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ესტერი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "ნიტრო" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "ფენილ" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "სულფონატი" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "ამპლიტუდა:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "მინ Y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "მაქს y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

ფერმის დონე

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Temuri Doghonadze" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Temuri.doghonadze@gmail.com" #, qt-format #~ msgid "Tab %1" #~ msgstr "ჩანართი %1" #~ msgid "ColorOpacityMap" #~ msgstr "ფერისგაუმჭვირვლობისრუკა" #~ msgid "Cube" #~ msgstr "კუბი" #~ msgid "Isovalue" #~ msgstr "იზომნიშვნელობა" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "ვერ ჩავტვირთე სკრიპტი %1" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "კუთხეები:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "ევ" #~ msgid "Cancel" #~ msgstr "გაუქმება" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "პიკო" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "ფ" #~ msgid "m" #~ msgstr "მილი" #~ msgid "fs" #~ msgstr "ფწმ" #~ msgid "fm" #~ msgstr "ფმ" #~ msgid " nm" #~ msgstr " ნმ" #~ msgid " K" #~ msgstr " K" #~ msgid " atm" #~ msgstr " ატმ" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(დარჩენილი)" #~ msgid "unknown molecule" #~ msgstr "უცნობი მოლეკულა" #~ msgid " & " #~ msgstr " & " #~ msgid "Meshes" #~ msgstr "ბადეები" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "&Analysis" #~ msgstr "&ანალიზი" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&შემოტანა…" #~ msgid "Set Color..." #~ msgstr "ფერის დაყენება…" #~ msgid "&Export..." #~ msgstr "&გატანა…" #~ msgid "eV)" #~ msgstr "ევ)" #~ msgid "Partial Charge" #~ msgstr "ნაწილობრივი მუხტი" #~ msgid "Geometry" #~ msgstr "გეომეტრია" #~ msgid "Add Unit Cell" #~ msgstr "ერთეულის უჯრედის დამატება" #~ msgid "By Distance" #~ msgstr "დაშორებით" #~ msgid "Select Water…" #~ msgstr "აირჩიეთ წყალი…" #~ msgid "&Copy" #~ msgstr "&კოპირება" #~ msgid "Molecule Name:" #~ msgstr "მოლეკულის სახელი:" #~ msgid "Chemical Formula:" #~ msgstr "ქიმიური ფორმულა:" #~ msgid "Number of Atoms:" #~ msgstr "ატომების რიცხვი:" #~ msgid "Number of Bonds:" #~ msgstr "ბმების რიცხვი:" #~ msgid "TODO" #~ msgstr "განრიგის სია" #~ msgid "Line Size:" #~ msgstr "ხაზის ზომა:" #~ msgid ", " #~ msgstr ", " #~ msgid "Fragment…" #~ msgstr "ფრაგმენტი…" #~ msgid "Help..." #~ msgstr "დახმარება..." #~ msgid "Save File..." #~ msgstr "ფაილის შენახვა..." #~ msgid "Download Plugins..." #~ msgstr "დამატებების გადმოწერა…" #~ msgid "Other..." #~ msgstr "სხვები…" #~ msgid "Client server operations." #~ msgstr "კლიენტ-სერვერის ოპერაციები." #~ msgid "S&erver" #~ msgstr "&სერვერი" #~ msgid "Connection failed" #~ msgstr "დაკავშირება ვერ მოხერხდა" #~ msgid "Remote service error" #~ msgstr "დაშორებული სერვისის შეცდომა" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "შეერთების შეცდომა: %1" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "კლიენტ-სერვერი" #~ msgid "Connection refused" #~ msgstr "დაკავშირება უარყოფილია" #~ msgid "Filename" #~ msgstr "ფაილის სახელი" #~ msgid "Formula" #~ msgstr "ფორმულა" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&Hostname:" #~ msgstr "&ჰოსტის სახელი:" #~ msgid "Port" #~ msgstr "პორტი" #~ msgid "Look in:" #~ msgstr "ჩაიხედე:" #~ msgid "Navigate Back" #~ msgstr "უკან გადასვლა" #~ msgid "Navigate Forward" #~ msgstr "წინ გადასვლა" #~ msgid "File name:" #~ msgstr "ფაილის სახელი:" #~ msgid "Files of type:" #~ msgstr "ტიპები:" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API-ის გასაღები:" #~ msgid "Base URL:" #~ msgstr "საბაზისო URL:" #~ msgid "Config" #~ msgstr "კონფიგურაცია" #~ msgid "Upload" #~ msgstr "ატვირთვა" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Container:" #~ msgstr "შემადგენლობა:" #~ msgid "Layer" #~ msgstr "ფენა" #~ msgid "Insert Molecule..." #~ msgstr "მოლეკულის ჩასმა..." #~ msgid "Z Å)" #~ msgstr "Z Å)" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: ფაილი არსებობს და ჩაწერადი არაა." OpenChemistry-avogadrolibs-ceb949f/i18n/kn.po000066400000000000000000007756571516317240700212540ustar00rootroot00000000000000# Kannada translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Ajith , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-08-27 08:02+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Kannada \n" "Language: kn\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.13\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "ತಿಳಿಯದ" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat ನಲ್ಲಿ ಯಾವುದೇ ಅಣುವನ್ನು ಹೊಂದಿಸಲಾಗಿಲ್ಲ!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat ನಲ್ಲಿ ಯಾವುದೇ ಫೈಲ್ ಹೆಸರನ್ನು ಹೊಂದಿಸಲಾಗಿಲ್ಲ!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "ಹೈಡ್ರೋಜನ್" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "ಹಿಲೀಯಂ" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "ಲಿಥೀಯಮ್" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "ಬೆರಿಲಿಯಂ" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "ಬೋರಾನ್" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "ಇಂಗಾಲ" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "ಸಾರಜನಕ" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "ಆಮ್ಲಜನಕ" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "ಫ್ಲೂರಿನ್" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "ನಿಯಾನ್" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "ಸೋಡಿಯಂ" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "ಮೆಗ್ನಿಷಿಯಮ್" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "ಅಲ್ಯುಮಿನಿಯಂ" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "ಸಿಲಿಕಾನ್" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "ರಂಜಕ" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "ಗಂಧಕ" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "ಕ್ಲೋರಿನ್" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "ಆರ್ಗನ್" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "ಪೊಟ್ಯಷಿಯಮ್" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "ಕ್ಯಾಲ್ಸಿಯಮ್" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "ಸ್ಕ್ಯಾಂಡಿಯಮ್" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "ಟೈಟಾನಿಯಂ" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "ವೆನಡಿಯಂ" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "ಕ್ರೊಮಿಯಂ" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "ಮ್ಯಾಂಗನೀಸ್" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "ಕಬ್ಬಿಣ" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "ಕೋಬಾಲ್ಟ್‌" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "ನಿಕ್ಕೆಲ್" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "ತಾಮ್ರ" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "ಸತು" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "ಗೇಲಿಯಮ್" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "ಜೆರ್ಮೇನಿಯಮ್" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "ಆರ್ಸೆನಿಕ್" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "ಸೆಲೆನಿಯಮ್" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "ಬ್ರೋಮಿನ್" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "ಕ್ರಿಪ್ಟಾನ್" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "ರುಬಿಡಿಯಮ್" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "ಜರ್ಕೋನಿಯಮ್" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "ಮಾಲಿಬ್ಡಿನಮ್" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "ರೋಡಿಯಮ್" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "ಬೆಳ್ಳಿ" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "ಕ್ಯಾಡ್ಮಿಯಮ್" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "ಇಂಡಿಯಮ್" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "ತವರ" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "ಆಂಟಿಮನಿ" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "ಅಯೋಡಿನ್" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "ಝೆನಾನ್" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "ಸೀಸಿಯಮ್" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "ಬೇರಿಯಮ್" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "ಇರಿಡಿಯಮ್" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "ಪ್ಲಾಟಿನಮ್" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "ಬಂಗಾರ" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "ಪಾದರಸ" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "ಸೀಸಾ" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "ಬಿಸ್ಮತ್" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "ಪೊಲೋನಿಯಂ" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "ರೆಡಾನ್" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "ರೇಡಿಯಮ್" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "ಥೋರಿಯಮ್" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "ಯುರೇನಿಯಮ್" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "ನೆಪ್ಚೂನಿಯಮ್" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "ಪ್ಲುಟೋನಿಯಮ್" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "ಕ್ಯುರಿಯಂ" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "ಶೀರ್ಷಿಕೆ" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "ಕಾರ್ಟೂನ್" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "ಒತ್ತಾಯಪೂರ್ವಕ" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "ಗುರುತುಪಟ್ಟಿ" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "ತಲೆಬರಹವಿಲ್ಲದ" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "ಕಡತ(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "ನನ್ನಿಚ್ಛೆಯ ಬಣ್ಣ" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "ರಿಬ್ಬನ್" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "ಕಾರ್ಟೂನ್" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "ಕಾರ್ಟೂನ್" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "ವಿಸ್ತರಣೆಗಳು" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "ಅಳಿಸು" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "ಆಮದು" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "ಅವೊಗಡ್ರೊ" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "ಹೈಡ್ರೋಜನ್" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "ಅವೊಗಡ್ರೊ" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "ಫಾರ್ಮ್" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "ಗುಂಪಿನ ಹೆಸರು" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "ಗುಂಪಿನ ಹೆಸರು" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat)" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #~ msgid "Cancel" #~ msgstr "ರದ್ದುಮಾಡು" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "&Import..." #~ msgstr "ಆಮದು" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "ಫಾರ್ಮ್" #, fuzzy #~ msgid "Filename" #~ msgstr "ಕಡತ(&F)" #, fuzzy #~ msgid "No" #~ msgstr "ನಿಯಾನ್" #, fuzzy #~ msgid "Import" #~ msgstr "ಆಮದು" #~ msgid "Axes" #~ msgstr "ಅಕ್ಷರೇಖೆಗಳು" #~ msgid "Polygon" #~ msgstr "ಬಹುಭುಜಾಕೃತಿ" #~ msgid "Ring" #~ msgstr "ರಿಂಗ್" #~ msgid ")" #~ msgstr ")" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "ಕಡಿಮೆ" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "ಮಧ್ಯಮ" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "ಹೆಚ್ಚು" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "ಇನ್ನೂ ಹೆಚ್ಚಿನ" OpenChemistry-avogadrolibs-ceb949f/i18n/ko.po000066400000000000000000012602721516317240700212340ustar00rootroot00000000000000# Korean translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Hoseok Seo , 2022, 2023. # simmon , 2023, 2024. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Korean \n" "Language: ko\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "일괄 작업 #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "지정된 메시지가 없습니다." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options 출력은 최상위 수준에서 JSON 객체여야 합니다. 접수: \n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "문자열이 아닌 경고가 반환되었습니다." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'경고' 멤버는 배열이 아닙니다." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "참조 파일 '%1'이(가) 없습니다." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "%1 파일 채우는 중 오류: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "'%1' 파일의 형식이 잘못되었습니다. 문자열 '내용' 또는 '파일경로' 멤버가 누락" "되었습니다." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "형식이 잘못된 파일 항목: 파일 이름/내용이 없거나 문자열이 아님: \n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "인덱스 %1의 잘못된 파일 항목: 객체가 아닙니다." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'파일' 멤버가 배열이 아닙니다." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'파일' 멤버가 없습니다." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'주요파일' 멤버가 '파일'의 항목을 참조하지 않습니다." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'주요파일' 멤버는 문자열이어야 합니다." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "응답은 최상위 JSON 객체여야 합니다." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "스크립트 출력: \n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "오프셋 %L1에서 구문분석 오류: '%2' \n" "원시 JSON: \n" " \n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "분자 표현을 문자열로 저장하는 중 오류 발생: 인식할 수 없는 파일 형식: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "분자 표현을 문자열에 저장하는 동안 오류 발생: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "cjson 객체 생성 중 오류 발생: 오프셋 %1에서 구문분석 오류: %2 \n" "원시 JSON: \n" " \n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "오류 생성기 cjson 객체: 구문 분석된 JSON은 객체가 아님: \n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "입력 생성기 (오류)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 입력 생성기" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "계속" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "닫기" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "알 수 없음" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "다음 파일이 수정되었습니다: \n" " \n" "%1 \n" " \n" "새로운 기하학 또는 작업 옵션을 반영하도록 변경 사항을 덮어쓰겠습니까?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "수정된 입력 파일을 덮어쓰겠습니까?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "입력 생성 중 발생한 문제:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "저장할 입력 파일이 없습니다!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "몰큐에 연결할 수 없음" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "몰큐 서버에 연결할 수 없습니다. 실행 중인지 확인하고 다시 시도하세요." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 계산 제출" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "작업 실패" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "작업이 성공적으로 완료되지 않았습니다." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "스크립트 경고 반환:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "경고 숨기기(&W)" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "경고 표시(&W)" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "오류 발생:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "출력 파일이름 선택" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "내부 오류: 파일이름 '%1'에 대한 텍스트 위젯을 찾을 수 없음" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "출력 오류" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "%1 파일에 쓰지 못했습니다." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "출력 디렉토리 선택" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: 디렉토리가 존재하지 않습니다!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: 디렉토리를 읽을 수 없습니다!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: 파일을 덮어씁니다." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: 파일에 쓸 수 없습니다." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "알 수 없는 오류로 인해 입력 파일을 쓸 수 없습니다." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "입력 파일을 쓸 수 없습니다: \n" " \n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "입력 파일을 쓸 수 없습니다: \n" " \n" "%1 \n" " \n" "경고: \n" " \n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "경고: \n" " \n" "%1 \n" " \n" "계속하겠습니까?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "입력 파일 쓰기" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "구성 작업" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "몰큐에 작업 제출 중…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "작업 제출 시간초과" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "아보가드로가 몰큐의 응답을 기다리는 시간이 초과되었습니다." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "작업 %1 \"%2\"이(가) 완료되기를 기다리는 중…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "대기 중지" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "완료된 작업 정보를 가져오는 중…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "작업 검색 시간초과" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "아보가드로가 몰큐에서 완료된 작업 세부 정보를 기다리는 시간이 초과되었습니다." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "작업 제출 중 오류" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "작업이 몰큐에서 거부되었습니다: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "선택한 프로그램이 없습니다." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "\"대기열 및 프로그램\" 목록에서 대상 프로그램을 선택하세요." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "클라이언트가 몰큐에 작업을 제출하지 못했습니다." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "내부 오류입니다." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "프로그램 선택을 해결할 수 없습니다. 이것은 버그입니다." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat에 분자가 설정되지 않았습니다!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "BackgroundFileFormat에 Io::FileFormat이 설정되지 않았습니다!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat에 설정된 파일 이름이 없습니다!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "수평 분할" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "수직 분할" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "수소" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "헬륨" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "리튬" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "베릴륨" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "붕소" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "탄소" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "질소" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "산소" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "불소(플루오르)" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "네온" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "나트륨" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "마그네슘" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "알루미늄" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "규소" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "인" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "황" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "염소" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "아르곤" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "칼륨" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "칼슘" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "스칸듐" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "티타늄" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "바나듐" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "크롬" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "망간" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "철" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "코발트" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "니켈" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "구리" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "아연" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "갈륨" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "게르마늄" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "비소" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "셀레늄" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "브롬" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "크립톤" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "루비듐" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "스트론튬" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "이트륨" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "지르코늄" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "니오브" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "몰리브덴" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "테크네튬" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "루테늄" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "로듐" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "팔라듐" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "은" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "카드뮴" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "인듐" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "주석" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "안티몬" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "텔루르" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "요오드" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "크세논" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "세슘" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "바륨" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "란탄" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "세륨" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "프라세오디뮴" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "네오디뮴" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "프로메튬" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "사마륨" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "유로퓸" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "가돌리늄" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "테르븀" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "디스프로슘" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "홀뮴" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "에르븀" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "툴륨" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "이테르븀" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "루테튬" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "하프늄" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "탄탈" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "텅스텐" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "레늄" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "오스뮴" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "이리듐" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "백금" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "금" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "수은" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "탈륨" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "납" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "비스무트" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "폴로늄" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "아스타틴" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "라돈" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "프란슘" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "라듐" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "악티늄" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "토륨" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "프로탁티늄" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "우라늄" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "넵투늄" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "플루토늄" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "아메리슘" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "퀴륨" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "버클륨" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "칼리포르늄" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "아인슈타이늄" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "페르뮴" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "멘델레예븀" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "노벨륨" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "로렌슘" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "러더퍼듐" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "더브늄" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "시보귬" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "보륨" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "하슘" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "마이트너륨" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "다름슈타튬" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "뢴트게늄" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "코페르니슘" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "니호늄" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "플레로븀" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "모스코븀" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "리버모륨" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "테네신" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "오가네손" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "찾아보기" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "파일 선택:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "실행 파일 선택:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "선택한 파일에 적합한 파일 리더를 찾을 수 없습니다." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "파일 확장자가 누락되어 형식을 결정할 수 없습니다. 추가하겠습니까?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "선택한 형식에 적합한 파일 작성기를 찾을 수 없습니다." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "핸들러" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "핸들" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "리더" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "읽기" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "라이터" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "쓰기" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "이 형식을 %2 할 수 있는 여러 %1을(를) 찾았습니다. 어떤 것을 사용해야 합니까?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "모든 파일" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "지원되는 모든 형식" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "분자 표현을 읽는 중 오류 발생: 인식할 수 없는 파일 형식: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 메시지" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "분자 표현을 문자열에 쓰는 중 오류 발생: 인식할 수 없는 파일 형식: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "분자 표현을 문자열에 쓰는 중 오류: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions'가 없습니다." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "옵션 '%1'을(를) 찾을 수 없습니다." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type'은 옵션 '%1'에 대한 문자열이 아닙니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "제목" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "파일이름 기준" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "프로세서 코어" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "계산 유형" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "이론" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "기초" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "전하" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "다중도" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "옵션 '%2'에 대해 인식할 수 없는 옵션 유형 '%1'입니다." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "옵션 '%1'의 기본값을 설정하는 동안 오류가 발생했습니다. 잘못된 위젯 유형입니" "다." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "옵션 '%1'의 기본값을 설정하는 동안 오류가 발생했습니다. 잘못된 기본값:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "옵션 '%1'의 기본값을 설정하는 동안 오류가 발생했습니다. 값에서 유효한 콤보 항" "목 인덱스를 찾을 수 없습니다:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "옵션 '%1'에 대한 collectOptions 처리되지 않은 위젯입니다." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[분자 없음]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "레이어 %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "공과 막대 모형" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "만화" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "내용물 닫기" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "결정체 격자" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "힘" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "레이블" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "감초" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "표면" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "비공유" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "대칭 원소" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "판 데르 발스" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "판 데르 발스 (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "와이어프레임" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "참조 축" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "제목 없음" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "새로운 보기 만들기" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "주기율표" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "스크립트 '%1 %2' 실행 중 오류: 시작(%3) 대기 시간이 초과되었습니다." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "스크립트 '%1 %2' 실행 중 오류: 표준 입력(len=%3, %4바이트 쓰기, QProcess 오" "류: %5)에 쓰지 못했습니다." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "스크립트 '%1 %2' 실행 오류: 완료 (%3) 대기 시간이 초과되었습니다." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "스크립트 '%1 %2' 실행 중 오류: 비정상적인 종료 상태 %3(%4: %5) \n" " \n" "출력: \n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "경고 '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "스크립트를 시작하지 못했습니다." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "스크립트가 충돌했습니다." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "스크립트 시간이 초과되었습니다." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "읽기 오류입니다." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "쓰기 오류입니다." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "알 수 없는 오류입니다." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "레이어 수정" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "레이어 제거" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "레이어 정보 제거" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "레이어 추가" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "레이어 정보 추가" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "레이어 변경" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "원자 추가" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "원자 제거하기" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "원자 지우기" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "수소 추가" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "원소 변경" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "원소 바꾸기" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "원자 혼성화 변경" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "원자 형식 전하 변경" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "원자 색상 변경" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "원자 레이어 변경" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "결합 추가" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "결합 제거됨" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "결합 지우기" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "결합 차수 설정" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "결합 차수 변경" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "결합 업데이트" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "결합 업데이트" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "단위 격자 제거" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "단위 격자 편집" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "원자를 격자로 감싸기" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "격자 부피 스케일" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "슈퍼 격자 빌드" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "니글리 감소" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "표준 방향으로 회전" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "기본으로 축소" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "격자 관습화" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "격자 대칭화" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "단위 격자 채우기" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "격자를 비대칭 단위로 축소" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "원자 위치 변경" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "원자 위치 변경" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "원자 레이블 변경" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "선택 변경" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "분자 수정" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "설정" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML 블록입니다." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "파일(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "내보내기(&E)" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "3DMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "빌드(&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "원소:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "정렬" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Align 분자\n" "\n" "왼쪽 마우스: 최대 2개의 원자를 선택합니다.\n" "\t첫번째 원자는 원점의 중심에 있습니다.\n" "\t두 번째 원자는 선택한 축으로 정렬됩니다.\n" "마우스 오른쪽: 정렬 재설정.\n" "Double-Click: 원자를 원점 중심에 나두기." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "축:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "원점에 정렬" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "축에 정렬" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "원점에 원자를 중심에 두기." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "지정된 축에 원자를 정렬하는 분자를 회전." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "정렬 도구" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Cartesian 축에 맞추어 분자 정렬" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS 실행…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "WFN 파일 열기…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "입력(&I)" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "APBS(&A)" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "출력 파일 열기" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX 파일 (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO 오류" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "구조 파일 (%1)을(를) 읽는 동안 오류가 발생했습니다." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX 오류" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "OpenDX 파일을 읽는 동안 오류 발생: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "OpenDX 파일 읽기 오류: 정육면체를 찾을 수 없음" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS 유틸리티와 상호 작용합니다." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB 파일 열기" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB 파일 (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR 파일 열기" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR 파일 (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "오류" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APBS 실행 중 오류: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "PDB 파일을 지정하세요" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "성공" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS 입력 파일 저장" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS 입력 (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "입력 파일이 '%1'에 기록됨" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "%1 파일을 저장할 수 없습니다." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "사용자 정의 색상별…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "원소별" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "사슬별" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "부분 전하로…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "이차 구조별" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "아미노산별" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "균형잡힌 스키마별" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "파룰라" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "열" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "뜨거운" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "회색" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "마그마" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "불" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "플라즈마" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "비리디스" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "시비디스" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "스펙트럼" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "냉온" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "균형" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "파란-어두운 빨강" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "터보" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "원자와 잔류물에 색상 구성표를 적용합니다." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "보기(&V)" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "원자 색상" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "잔류물 색상" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "색상지도 선택" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "색상지도:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "적용색상" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimize Geometry" msgid "Optimize" msgstr "최적화" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "방법:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "온도:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "시간단계:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "시작" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "중지" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "기하학 최적화" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "분자 동력학" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "원자 스케일" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "결합 스케일" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "불투명도" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "여러 결합 표시" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "수소 표시" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "원자를 구체로, 결합을 실린더로 렌더링합니다." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "결합 중심 조작" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Bond Centric Manipulation 도구\t(%1)\n" "\n" "왼쪽 마우스:\t클릭하고 드래그하여 보기를 회전합니다.\n" "중간 마우스 :\t클릭하고 줌을 켜거나 밖으로 드래그하십시오.\n" "마우스 오른쪽:\t클릭하고 보기를 이동합니다.\n" "더블 클릭:\t보기를 재설정.\n" "\n" "왼쪽 클릭 & 채권을 설정하려면 드래그:\n" "왼쪽 클릭 & 본드의 원자 중 하나를 드래그하여 각도를 변경\n" "오른쪽 클릭 & 채권의 원자 중 하나를 드래그하여 길이를 변경합니다" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "결합 중심 조작 도구입니다." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "결합 길이와 각도를 변경하여 분자 기하학을 편집하는 데 사용되는 도구입니다." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "결합 원자" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "결합 차수 감지" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "결합 제거" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "결합 구성…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "선택된 원자 결합" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "결합" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "모든 또는 선택한 원자에서 결합을 제거합니다." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "모든 또는 선택한 원자 사이의 결합을 생성합니다." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "결합 순서를 이해합니다." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "결합" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "결합 작업을 수행합니다." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "중추" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "추척" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "튜브" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "리본" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "단순한 만화" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "만화" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "밧줄" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "생체 분자 리본 / 만화 표시합니다." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "중심 추가" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "질량 중심 추가" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "수직 추가" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "중심" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "중심과 질량 중앙을 추가합니다." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "최대 거리:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "선의 폭:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "연락처" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "염다리" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "반발" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "원자 사이의 밀접한 접촉을 렌더링합니다." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "확장(&E)" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "스크립트" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "출력 파일 '%1'을(를) 읽는 동안 오류 발생: \n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "%1 처리 중" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "파이썬 해석기에 대한 경로 설정:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "외부 스크립트를 실행할 파이썬 해석기 인터프리터를 선택합니다. \n" "변경 사항을 적용하려면 아보가드로를 다시 시작해야 합니다." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "명령어 스크립트" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "외부 스크립트 명령어 실행" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "파이썬 설정…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "파이썬 설치" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "파이썬은 많은 Avogadro 기능에 사용됩니다. 파이썬을 내려받을까요?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "파이썬구성" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "파이썬 환경을 구성합니다." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "기타…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&계산" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "각" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "형식" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "원자 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "원자 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "원자 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "원자 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "원자 좌표 편집기(&C)…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "좌표 편집기" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "원자 좌표의 텍스트 편집입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "변경 사항을 덮어쓰겠습니까?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "텍스트 문서가 수정되었습니다. 변경 사항을 취소하고 현재 분자로 되돌리겠습니" "까?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "선 항목이 너무 적습니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "잘못된 원소 이름입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "원소 이름입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "잘못된 원소 기호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "원소 기호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "잘못된 원자 명칭." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "원자 지수가 잘못되었습니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "원자 지수입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "잘못된 원자 번호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "원자 번호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "잘못된 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' 격자 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' 격자 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' 격자 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "기하학 적용 오류" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "기하학 사양을 구문 분석할 수 없습니다. 강조 표시된 오류를 수정하고 다시 시도" "하세요. \n" " \n" "(힌트: 오류에 대한 설명을 보려면 빨간색 텍스트 위에 마우스를 가져가세요.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "원자 좌표 편집" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "커스텀" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ 형식 (기호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ 형식 (이름)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ 형식(원자 번호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "격자 좌표 (기호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "격자 좌표 (이름)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "격자좌표 (원자 번호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS 형식 (기호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS 형식 (이름)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "터보몰 형식" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "복사" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "잘라내기" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "지우기" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "붙여넣기(&P)" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "국제 화학 식별자" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "편집(&E)" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "다른 이름으로 복사" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "분자 클리핑 오류" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "클립보드 데이터를 생성하는 동안 오류가 발생했습니다." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "출력 형식: %1 \n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "리더 오류: \n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "분자 붙여넣기 오류" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "분자를 붙여넣을 수 없음: 클립보드가 비어 있습니다!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "클립보드 데이터를 읽는 동안 오류가 발생했습니다." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "감지된 형식: %1 \n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "복사 및 붙여 넣기" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "클립보드와 상호 작용합니다." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "CP2K(&C)…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K 입력" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "CP2K에 대한 입력을 생성합니다." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "에너지" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "에너지와 힘" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "기하학 최적화" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "전자 구조 방법 (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "분자 역학" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "하이브리드 양자 클래식 (아직 지원되지 않음)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "없음" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "원자" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "코어" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "밀도" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "무작위" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "재시작" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "희박" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "브로이덴" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "켤레기울기" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "최급강하" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "입력 파일이 수정되었습니다. 새로운 기하학 또는 작업 옵션을 반영하도록 변경 사" "항을 덮어쓰겠습니까?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "수정된 입력 파일을 덮어쓰겠습니까?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "CP2K 입력 파일 저장" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "CP2K 계산 제출" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "클립보드에서 결정체 가져오기…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "단위 격자 전환" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "단위 격자 수정…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "원자를 단위 격자로 감싸기(&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "표준 방향으로 회전(&O)" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "격자 부피 스케일(&V)…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "슈퍼격자 빌드(&S)…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "셀 감소(니글리&N)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "결정체(&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "단위 격자 제거(&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "단위 격자 추가(&U)" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "클립보드에서 결정체 가져오기" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "원자를 단위 셀로 감싸기 ." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "단위 셀을 표준 방향으로 회전." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "니글리 감소 결정체" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "단위 격자는 이미 축소되었습니다." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "결정체" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "결정체 전용 편집/분석을 위한 도구입니다." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "색상 축:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "선 색상:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "단위 격자 경계를 렌더링합니다." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "텍스트를 구문 분석할 수 없음" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "제공된 형식으로 데이터를 읽지 못했습니다." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "단위 격자가 없습니다." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "단위 격자 편집기" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "사용자 정의 원소 재할당(&C)…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "현재 분자에서 사용자 정의 원소 유형을 조작합니다." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "사용자 정의 원소" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "쌍극자 모멘트" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "그리기" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "그리기 도구\t(%1)\n" "\n" "왼쪽 마우스:\t클릭 및 드래그로 원자 및 결합 생성\n" "오른쪽 마우스:\t원자 삭제" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "원자 그리기" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "결합 유형 변경" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "결합 삭제" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "거리:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "편집기 도구" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "자동" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "단일" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "이중" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "삼중" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "가져오기(&I)" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB 가져오기" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB 분자를 읽을 수 없습니다: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB 코드" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "다운로드할 화학 구조입니다." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "잘못된 PDB 코드" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB 코드는 정확히 4 문자 길이여야 합니다." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB 코드의 첫 번째 문자는 1-9 이어야 합니다." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "%1에 대한 쿼리" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "네트워크 내려받기 실패" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "네트워크 시간 초과 또는 다른 오류입니다." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "지정된 분자를 찾을 수 없습니다: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB에서 가져오기" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "단백질 데이터 뱅크서 PDB 모델 다운로드" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "초점 선택" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "초점 제거" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "초점" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "특정 기능에 초점을 맞춥니다." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "분자의 원자에 대한 역장 시각화를 렌더링합니다." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "힘" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "구성…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "선택된 원자 멈춤" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "선택된 원자 멈춤 해제" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "아보가드로" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "최적화를 위해 제공되는 원자 없음" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 에너지 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 강도 기준 = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "역장 최적화" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "스크립트를 포함한 역장 최소화" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "자동 감지 (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "범용 역 장" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "일반화된 호박색 역 장" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck 분자 역 장 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "GAMESS(&G)…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS 입력" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESS에 대한 입력을 생성합니다." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "단일 포인트" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "평형 기하학" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "전이 상태" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "진동수" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "코어 전위" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "없음" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "기체" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "물" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "단일체" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "이중체" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "삼중체" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "디카티온" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "양이온" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "중성" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "음이온" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "이음이온" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "GAMESS 입력 파일 저장" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "GAMESS 계산 제출" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "수소 조정(&A)" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "수소 추가" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "여분의 수소 제거(&X)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "모든 수소 제거(&R)" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "현재 분자에서 수소를 추가/제거합니다." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "수소(&H)" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "수소" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "PQR 검색(&S)…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR에서 가져오기" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR에서 분자를 다운로드합니다." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "삽입(&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNA 삽입…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "우라실" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "티민" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "분자 삽입…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "3D 분자 생성 중…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "삽입DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "대화상자를 통해 DNA/RNA 단편을 삽입합니다." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "분자…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "결정체…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "파일 (%1)을(를) 읽는 동안 오류가 발생했습니다." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "결정체 가져오기" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "조각 삽입" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "조각삽입" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "더 큰 분자를 만들기 위해 분자 조각을 삽입합니다." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "색상:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "중심으로부터의 거리:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "색인" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "고유 ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "원소" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "원소 번호" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "성분 & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "원자 레이블:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "이름" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "잔류물 레이블:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "볼 및 스틱 스타일에 레이블을 표시합니다." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "레이블 편집" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "라벨 생성" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "레이블 편집기 도구" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "LAMMPS(&L)…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS 입력" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "LAMMPS에 대한 입력을 생성합니다." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "미리보기 텍스트를 업데이트하고 Lamps 입력 데크 미리보기 창에서 변경한 사항을 " "모두 잃게 하겠습니까?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "투명도:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "감초 / 스틱으로 원자를 렌더링합니다." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "국제 화학 식별자…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "설명 구문을 찾을 수 없습니다!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "선 형식 리더를 찾을 수 없습니다!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "요청한 형식 리더를 불러올 수 없습니다." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "선형식입력" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "입력 대화상자를 통해 단일 선 분자 설명문구를 불러옵니다." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "조작" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "조작 도구\t(%1)\n" "\n" "왼쪽 마우스:\t클릭과 드래그로 원자 이동\n" "오른쪽 마무스:\t클릭과 드래그로 선택한 원자 회전합니다." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "조작 도구" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "측정" #: qtplugins/measuretool/measuretool.cpp:54 #, fuzzy, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "측정 도구\t(%1)\n" "\n" "왼쪽 마우스:\t최대 4개의 원자를 선택합니다.\n" "\t거리는 1-2와 2-3 사이에서 측정\n" "\t각도는 2를 공통점으로 사용하여 1-3 사이에서 측정\n" "\t이면체는 1-2-3-4 사이에서 측정\n" "오른쪽 마우스:\t측정값을 재설정합니다." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "이면각:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "각도:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "측정 도구" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "분자(&M)…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "분자의 일반적인 특성을 봅니다." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "속성(&P)" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "분자 속성" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "분자 정보" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "CSV 내보내기" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV 파일 (*.csv);;모든 파일 (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "쓰기 위한 파일을 열 수 없습니다." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "파일에 오류 쓰기." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "내보내기…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "탐색" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "탐색 도구\t(%1)\n" "\n" "왼쪽 마우스:\t클릭과 드래그로 보기를 회전합니다.\n" "중간 마무스:\t클릭과 드래그로 확대 또는 축소합니다.\n" "오른쪽 마우스:\t클릭과 드래그로 보기를 이동합니다." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "X, y, 또는 z 축을 따라 장면 회전." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "장면 확대/축소." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "장면 번역." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "스크롤 시 확대/축소의 반대 방향" #: qtplugins/navigator/navigator.cpp:108 #, fuzzy msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "기본값:\t아래로 스크롤하여 축소, 위로 스크롤하여 확대\n" "역방향:\t위로 스크롤하여 축소, 아래로 스크롤하여 확대" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "탐색 도구" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "화학명" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "네트워크 데이터베이스" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "온라인 데이터베이스, 쿼리 구조 등과 상호 작용" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "각도 허용 오차:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "칼코겐" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "몇 가지 비공유 상호 작용을 렌더링합니다." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "역장 구성…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "이형태체 검색…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "결합 감지" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "pH용 수소 추가…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "수소 제거" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1를 찾을 수 없습니다! 오픈 바벨 플러그인 작업 비활성." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "바벨 열기(&O)" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "바벨 파일 열기 형식을 추가할 준비가 되지 않았습니다." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "바벨 열기에서 분자 불러오는 중…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "내부 오류가 발생했습니다: OpenBabel::readMolecule이 호출되었지만 구문 분석에 " "사용할 수 있는 obabel 출력이 없습니다!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "바벨 (%1) 열기를 실행하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "openbabel 출력을 구문 분석하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "지원되는 forcefields 목록을 검색하는 동안 오류가 발생했습니다. ('%1' 사용)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "분자가 잘못되었습니다. 기하학을 최적화할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "바벨 열기로 기하학을 최적화할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "기하학 최적화 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "생성 중…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "현재 분자의 바벨 열기 표현을 생성하는 동안 내부 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 시작 중…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "%2 의 %1 단계 \n" "현재 에너지: %3 \n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "분자 업데이트 중…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "바벨 열기 출력을 해석하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "obabel 출력의 원자 수 (%1)가 원래 분자의 원자 수 (%2)와 일치하지 않습니다." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "분자가 잘못되었습니다. 이형태체를 생성 할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "오픈 바벨과 함께 이형태체를 생성 할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "이형태체 생성 중 (오픈 바벨)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "이형태체 생성" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "바벨 열기로 파일을 열 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "잘못된 분자: 결합을 인식할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "결합 인식 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "XYZ 표현 생성 중…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "XYZ 문자열을 생성하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "%1을(를) 사용하여 XYZ를 바벨 열기로 변환 중…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "바벨 열기에서 분자 업데이트 중…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "바벨 열기로 수소를 추가할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "수소 추가 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "바벨 열기 입력 생성 중…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "바벨 열기 입력을 생성하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "%1 실행 중…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "pH에 대한 수소 추가" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "obabel 입력 생성 중…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "바벨 열기로 수소를 제거할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "수소 제거 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "바벨 열기를 생성하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "obabel 출력을 읽는 중…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "이미 바벨 열기를 실행 중입니다. 다른 작업이 완료될 때까지 기다렸다가 다시 시" "도하세요." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "바벨열기" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "바벨열기 유틸리티와 상호 작용합니다." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "OpenMM 스크립트(&O)…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM 입력" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "OpenMM에 대한 입력을 생성합니다." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "OpenMM 입력 데크 미리보기 창에서 변경한 내용을 모두 잃고 미리보기 텍스트를 업" "데이트하겠습니까?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "입력.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "입력.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "위" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "참" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "디스플레이 모서리에 참조 축을 렌더링합니다." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1을(를) %2(으)로 다운로드 중\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "버전" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "설명" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "생성기 입력" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "플레이어" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "프레임:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "역동적인 결합입니까?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "프레임율:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "재생" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "일시정지" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "동영상 (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "비트맵 그래픽 내보내기" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "동영상 (*.mp4);;동영상 (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS 지원 경고" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF 파일 형식은 100 FPS 이상의 프레임 속도를 지원하지 않습니다." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "동영상 (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "오류: 비디오에 프레임을 추가할 수 없습니다." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "플레이어 도구" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "궤적 재생" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "플롯 쌍 분포 함수…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "PDF 패턴 생성 실패" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "오류 메시지: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "플롯Pdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "쌍 분포 함수 곡선을 생성하고 플로팅합니다." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "이론적인 XRD 패턴 플로팅…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "XRD 패턴 생성 실패" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "분자를 CIF 형식으로 변환하지 못했습니다." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "genXrdPattern에서 읽은 데이터가 손상된 것 같습니다!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "오류: genXrdPattern 실행 파일을 찾을 수 없습니다!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "오류: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "플롯Xrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "ObjCryst++를 사용하여 이론적 XRD 패턴을 생성하고 플로팅합니다." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "업데이트" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "이 플러그인은 설치하는 데 있어 특정 꾸러미가 필요합니다.\n" "이를 설치하시겠습니까?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "항상" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "절대" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1을(를) %2(으)로 압축해제 중\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1개 파일 완료\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "압축해제 성공\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "압축해제 중 오류: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "플러그인 다운로드…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "플러그인 다운로드" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "깃허브 리포지토리에서 플러그인을 다운로드합니다." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY 렌더…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "파일 저장" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;텍스트 파일 (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "PLY를 사용하여 장면을 렌더링합니다." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray 렌더…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;텍스트 파일 (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "POV-Ray를 사용하여 장면을 렌더링합니다." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "원자가" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "형식 전하" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "색상" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "원자" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "원자 시작" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "원자 끝" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "결합 차수" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "길이 (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "사슬" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "2차 구조" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "꼭지점" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "각도 (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "조각 조정" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π 나선" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "절곡" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α 나선" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β 시트" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 나선" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β 브릿지" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "회전" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "코일" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "원자 속성…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "결합 속성…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "각도 속성…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "비틀림 속성…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "잔류물 속성…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "원자, 결합, 각도 및 비틀림 속성을 표시하고 편집하기 위한 표입니다." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "속성표" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "원자 정보" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "결합 정보" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "각도 속성" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "비틀림 정보" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "이형태체 정보" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "잔류물 속성" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "QTAIM 속성을 사용하여 기본 렌더링" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "분자 그래프…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "고립 전자쌍이 있는 분자 그래프…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "원자 전하…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "WFN 파일 열기" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN 파일 (*.wfn);;모든 파일 (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM 확장" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "양자 입력" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "양자 코드에 대한 입력을 생성합니다." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "중앙" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "축에 보기 정렬" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "축에 보기 정렬" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "보기 재설정" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "보기 카메라를 조작합니다." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "스크립트 전하 모델" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "외부 스크립트에서 정전기 모델을 불러옵니다." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "스크립트 파일 형식" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "외부 스크립트에서 파일 리더/라이터를 불러옵니다." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "모두 선택" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "없음 선택" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "반전 선택" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "원자별 선택…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "원자 색인으로 선택…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "잔류물에 의한 선택…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "중추 원자 선택…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "곁사슬 원자 선택…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "물 선택" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "선택 확대" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "선택 축소" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "선택 항목에서 새로운 레이어 만들기" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "선택 변경" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "선택(&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "원소 선택" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "중추 선택" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "곁사슬 선택" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "색인으로 원자 선택" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "선택할 원자:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "원자 선택" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "잔류물로 원자 선택" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "선택하는 잔류물:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "잔여물 선택" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "선택" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "선택" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "선택 도구\t(%1)\n" "\n" "왼쪽 마우스:\t개별 원자, 잔류물 또는 조각을 선택하려면 클릭\n" "\t드래그하여 원자 범위 선택\n" "오른쪽 마우스:\t선택을 취소하려면 분자 외부 클릭\n" "Ctrl을 사용하여 선택을 전환하고 Shift를 사용하여 선택에 추가합니다.\n" "더블 클릭:\t전체 조각을 선택합니다." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "원자 색칠" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "선택 도구" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "새로운 레이어" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "지각 공간 그룹…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "대칭화" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "비대칭 단위로 축소" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "허용 오차 설정…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "단위 격자 채우기…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "공간 그룹" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "크리스탈 공간 그룹에 기반한 대칭 원자를 채우세요." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "공간 그룹 인식" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "공간 그룹은 이미 다음으로 설정되어 있습니다: %1.\n" "덮어쓸까요?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "실패" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "공간 그룹 인식 실패하였습니다. \n" "다른 허용 오차로 다시 시도하겠습니까?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "원시 감소" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "허용 오차는 현재 다음으로 설정되어 있습니다: %1. \n" "이 허용 오차를 계속하겠습니까?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "원시 축소에 실패하였습니다. \n" "결정체를 확인하고 다른 허용 오차로 다시 시도하세요." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "격자를 일반화하지 못했습니다. \n" "결정체를 확인하고 다른 허용 오차로 다시 시도하세요." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "대칭에 실패했습니다. \n" "결정체를 확인하고 다른 허용 오차로 다시 시도하세요." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "아보가드로2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Å에서 허용 오차를 선택하세요:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "국제적" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "현관" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "헤르만-모갱" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "공간 그룹 선택" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "공간그룹" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "결정체에 대한 공간 그룹 기능입니다." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "스펙트럼 플롯…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "스펙트럼" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "스펙트럼 플롯을 표시합니다." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "적외선" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "라만" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "전자" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "원편광 이색성" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "상태 밀도" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "배경색상 선택" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "전면 색상 선택" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "계산된 스펙트럼 색상 선택" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "가져온 스펙트럼 색상 선택" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "진동식 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "파수 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "전달" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "라만 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "강도" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "화학적 이동 (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "전자 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "에너지 (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "원편광 이색성 스펙트럼" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "밀도" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "부피" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "오비탈" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "대칭" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "용제 접근 가능" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "용매 제외" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "분자 궤도" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "전자 밀도" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "스핀 밀도" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "파일에서" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " %0 의" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "표면 생성…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "반 데르 발스 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "반 데르 발스 분자 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "용매에 접근 가능한 분자 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "용매가 배제된 분자 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "분자 궤도를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "전자 밀도를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "회전 밀도를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "파일과 함께 제공된 큐브를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "전자 밀도 계산" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "회전 밀도 계산" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "분자 궤도 %L1 계산" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "동영상 AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "동영상 내보내기" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "동영상 MP4 (*.mp4);;동영상 AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "표면을 읽고 렌더링합니다." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "SVG(&S)…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "장면을 SVG 파일로 렌더링합니다." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "등급" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "대칭…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "대칭 기능을 제공합니다." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "대칭 원소를 렌더링합니다." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "그룹 %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "템플레이트" #: qtplugins/templatetool/templatetool.cpp:85 #, fuzzy, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "템플릿 도구\t(%1)\n" "\n" "금속 중심을 포함하여 조각을 넣으세요.\n" "원소와 조정 기하학을 선택하고, 그 다음 눌러 조각을 넣으세요.\n" "\n" "리간드 또는 기능성 그룹을 선택하고 수소 원자를 누르고 이를 부착하세요." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "템플레이트 삽입" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "리간드 삽입" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "템플레이트 도구" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW 구체의 간단한 표시입니다." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "애니메이션 시작" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "애니메이션 중지" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "진동 모드…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "진동 모드 대화상자를 표시합니다." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "진동 모드를 설정합니다." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "진동 진폭을 설정합니다." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "진동 애니메이션을 시작합니다." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "진동 애니메이션을 중지합니다." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "진동" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "진동 방식을 표시합니다." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML 렌더…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;텍스트 파일 (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "VRML을 사용하여 장면을 렌더링합니다." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "분자를 와이어프레임으로 렌더링합니다." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "밴드 구조 계산…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "야에모프(&Y)" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "밴드 구조를 계산할 수 없음: 단위 격자가 없습니다!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "다음 오류로 야에모프 실행 실패: \n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "야에모프에서 출력된 밴드 구조를 읽지 못했습니다!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "야에모프 출력에서 단 하나의 특수 k 포인트가 발견되었습니다! 2개 이상이 필요합" "니다!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "밴드 %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "페르미 준위" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "야에모프를 찾을 수 없음" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "오류: %1을(를) 시작하지 못함" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "야에모프 입력" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "야에모프" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "야에모프로 확장된 휘켈 계산을 수행합니다." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "대화상자" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "형식" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "계산 설정" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "플레이스홀더 텍스트…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "재설정" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "디버그 스크립트…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "계산 제출…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "입력 저장…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "대기열 및 프로그램:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "새로 고침" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

이 작업을 위해 예약할 프로세서 코어 수입니다.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "프로세서 코어:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

작업 완료 시 원격 작업 파일을 삭제합니다. 결과는 여전" "히 로컬 몰큐 작업 캐시에 먼저 복사됩니다.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "완료되면 원격 파일 삭제:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

이 작업이 기본적으로 몰큐 GUI에 표시되지 않도록 하려면 " "선택합니다.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "몰큐에서 작업 숨기기:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

작업 상태가 변경되면 시스템 팝업 알림을 표시합니다." #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "진행 알림 표시:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "완료되면 출력 열기:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "원소 이름 바꾸기" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "조각 삽입…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "필터:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "일치하는 파일만 표시하려면 이름 또는 이름의 일부를 입력하세요." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "삽입" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML 단편 정보" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "클립 보드에 복사(&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "구조 입력 파일" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "PDB에서 입력 생성" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB 파일:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "역장:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "분석" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR 실행" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "기존 PQR 파일 불러오기" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR 파일:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS 입력 파일" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "입력 파일 저장" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS 실행" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "성공!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "구조 파일 불러오기" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "큐브 파일 불러오기" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "부분 전하" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "전하 모델:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "거리 허용 오차:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "최소 거리:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "“base” conda 환경만 존재합니다.\n" "Avogadro의 새로운 환경을 만들고 싶습니까?\n" "이는 기본 환경의 복사본을 만들 것입니다.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "환경 이름:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "아보가드로" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "스크립트를 실행하는 데 사용되는 파이썬 버전을 선택합니다.\n" "변경 사항을 적용하려면 Avogadro를 재시작해야 합니다." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "환경:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "유형:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "추가" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "좌표 편집기" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "사전 설정:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "거리 단위:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "옹스트롬" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "보어" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "형식:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

형식 사양. 각 문자는 원자당 쓸 값을 나타냅니다:

# - 원자 색인 (1, 2, ..., " "numAtoms)
Z - 원자 번호 (예: 탄" "소의 경우 \"6\")
G - GAMESS-스타" "일 원자 번호 (예: 탄소의 경우 \"6.0\")
N - 원소 이름 (예: \"탄소\")
S - 요소 기호 (예: 탄소의 경우 \"C\")
x - X 위치 좌표
y - Y 위치 좌표
z - Z 위치 좌표
a - 'a' 격자 좌표 (결정체만 해당)
b - 'b' 격자 좌표 (결정체만 해당)
c - 'c' 격자 좌표 (결정체만 해당)
_ - 정렬에 유용한 문자 공백 (\" " "\")
0 - 최적화 플래그에 유용한 " "문자 0 (\"0\")
1 - 최적화 플래그" "에 유용한 문자 1 (\"1\")

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "도움말…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "붙여넣기" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "되돌림" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "지우기" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "적용" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K 입력" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "모두 초기화" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "기본값" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "파일 저장…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "기본 설정(&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "제목:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "파일이름 기준:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "작업" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "계산:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "기준 설정:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "기능" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax 스플라인 회전" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "푸아송 EWALD 유형" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "푸아송 EWALD 알파" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "푸아송 EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "참" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "바벨 열기 변환을 위한 파일 확장자(기본값 - 아보가드로::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "슈퍼격자 매개변수" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "슈퍼 격자 옵션" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 반복:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 반복:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 반복:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "셀 행렬:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "분수 행렬:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "원자 변환(&T)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "적용(&A)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "되돌림(&R)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "숨기기(&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "단위 격자 부피 스케일" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "새로운 부피(&V):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "계수 인자(&S):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "현재 부피:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "텍스트레이블" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "결합 차수:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "기하학 최적화 매개변수" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "수렴 기준" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "에너지 융합:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "단계 제한:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " 단위" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " 단계" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "기울기 수렴:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "최적화 방법" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "역장:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "자동 감지" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS 입력" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "다중도:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "전하:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR에서 가져오기…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "검색" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "이름" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "태그" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "동의어" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "공식" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "국제 화학 식별자" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "검색 기준: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "공식:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "다운로드" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "이름:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "핵산 삽입" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA 빌더" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "핵산:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "아데닌" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "시토신" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "구아닌" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "배열:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "나선 회전당 염기쌍의 수" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "기타" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "턴당 기준:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "가닥:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "단일" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "이중" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "알라닌(Ala)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "아르기닌" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "아르기닌(Arg)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "아스파라긴" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "아스파라긴(Asn)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "아스파르트 산" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "아스파르트 산(Asp)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "시스테인" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "시스테인(Cys)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "글루탐산" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "글루탐산(Glu)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "글루타민" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "글루타민(Gln)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "글리신" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "글리신(Gly)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "히스티딘" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "히스티딘(His)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "이소류신" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "이소류신(Ile)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "발린(Val)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "티로신(Tyr)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "트립토판" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "트립토판(Trp)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "트레오닌" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "트레오닌(Thr)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "세린" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "세린(Ser)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "프롤린" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "페닐알라닌" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "페닐알라닌(Phe)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "메티오닌" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "메티오닌(Met)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "리신" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "리신(Lys)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "류신" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "류신(Leu)" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "입체화학:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "연쇄 번호:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "새 펩티드에 대한 연쇄번호" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS 입력" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "입력 파일 주석" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "시뮬레이션 중에 사용할 단위 스타일을 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" " \n" " \n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "단위" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "실제" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "금속" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "전자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "수분 포텐셜" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "데이터 파일에서 사용하는 atom_style을 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" " \n" " \n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "원자 스타일" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "각도" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "원자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "결합" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "전하" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "쌍극자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "타원체" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "전체" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "선" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "메소" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "분자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "구체" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "트라이" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "파속" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "좌표 파일에 사용할 이름을 지정합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "좌표 데이터 파일" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "앙상블" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "온도" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "NVT 앙상블에서 노제-후버 사슬의 수를 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH 사슬" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "\"단위\" 사양에 따른 단위 시뮬레이션의 시간 단계입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "시간 단계" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "시뮬레이션 중에 쓸 XYZ 파일의 파일 이름입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ 덤프" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "시스템의 차원 수입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "차원" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z 경계 스타일을 변경합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y 경계 스타일을 변경합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X 경계 스타일을 변경합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "X, Y 및 Z 방향의 경계 스타일을 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "경계" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "X, Y 및 Z 방향의 복제 수입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "복제" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "X 방향을 복제합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Y 방향을 복제합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Z 방향을 복제합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "시뮬레이션을 실행할 총 시간 단계 수입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "총 단계" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "덤프 간격" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "시뮬레이션을 위한 초기 원자 속도를 설정합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "초기 속도" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "초기 원자 속도의 분포를 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "가우스" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "균일 분포" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "이 온도와 일치하도록 초기 원자 속도를 설정합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "초기 속도에서 시스템 선형 운동량을 제거합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "제로 선형 운동량" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "초기 속도에서 시스템 각운동량을 제거합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "제로 각운동량" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "시뮬레이션 중에 열역학적 출력을 제어합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "출력" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "출력 간격" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "열역학적 출력 스타일입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "한 선" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "여러 선" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "양식 사용" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "생성…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "설명 문구:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "주위 회전:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "근원" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X 축" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y 축" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z 축" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "이형태체 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "방법" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "이형태체의 수:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "체계적인 회전자 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "임의 회전자 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "가중 회전자 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "유전 알고리즘 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "이형태체별 최적화:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "유전 알고리즘 옵션" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "각 상위 기하학을 위한 자식의 수" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "자식:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "돌연변이 빈도 (lower = 더 빈번한 돌연변이)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "가변성:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "수렴에 도달하기 전의 동일한 세대 수" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "수렴:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "득점 방법:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "유전 알고리즘에 대한 계산 방법 (RMSD = 기하학 거리, 에너지 = 가장 낮은 에너" "지)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "최적화 알고리즘:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "선 검색 기술:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "최급강하" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "켤레 기울기" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "간단" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "뉴턴의 법칙" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "비결합 상호작용 제한" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "판 데르 발스 차단 거리:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "쌍 업데이트 주기:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "정전기 차단 거리:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"에너지\" 수렴:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM 스크립트 빌더" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "작업 스크립트:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "스크립트" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "입력 좌표:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "입력.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "입력 위상:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "역장:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "물 모델:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "암시적 용매(OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "플랫폼:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "참조" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "정확성:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "단일" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "혼합" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "이중" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "장치 색인:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL 플랫폼 색인:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "비결합 방법:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "차단없음" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "비정기적차단" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "정기적차단" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "에발트" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "에발트 허용 오차:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "제약:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H결합" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "모두결합" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "H각도" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "제약 허용 오차:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "경수입니까?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "거짓" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "비결합 차단:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "무작위 초기 속도:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "생성 온도:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "적분기:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "랑주뱅" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "베를레" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "브라운" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "가변랑주뱅" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "가변베를레" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "허용 오차 오류:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "충돌 비율:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "기압 조절기:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "몬테 카를로" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "기압:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "기압 조절기 간격" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "리포터:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "상태데이터" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "보고 간격:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "평형화 단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "생산 단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "최소화입니까?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "가장 큰 최소화 단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "상태데이터 옵션:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "단계 색인" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "시간" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "속도" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "진행" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "잠재 에너지" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "운동 에너지" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "총 에너지" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF 플롯 옵션" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "최대 반경:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "단계 (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "이론적 XRD 패턴 옵션" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

베이스에서 피크의 확장 (도)입니다.

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

최대 2세타 값 (도)입니다.

기본값: 162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

베이스에서 피크의 확장 (도)입니다.

기본값: " "0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "포인트 수:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "피크 폭:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "파장:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

옹스트롬 단위의 X선 파장입니다.

기본값: 1.50560 " "Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

생성할 2세타 포인트의 수입니다.

기본값: 1000" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "선택 다운로드" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "임계점 반경:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "결합 경로 반경:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "공유" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "일정한 크기" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "색상 적용" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "스펙트럼 시각화" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "척도 인자:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "최소 X-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "최대 X-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "오프셋:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "최대 Y-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "최소 Y-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "정점 폭:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "정점 임계점:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "모양(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "가져온 스펙트럼:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "글꼴 크기:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "선 폭:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "보기" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "실험 스펙트럼의 tsv를 가져오고 플롯에 씌우다." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "배경:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "계산된 스펙트럼:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "자료 내보내기" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "닫기(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&옵션…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "통제:\n" "두 번 왼쪽 누르기: 기본 축 제한 복원\n" "오른쪽 누르기 + 끌기: 플롯 이동\n" "중간 누르기 + 끌기: 지역으로 확대/축소\n" "스크롤 휠: 커서로 확대/축소" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "매우 낮음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "낮음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "중간" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "높음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "매우 높음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "표면 생성" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "표면:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "알파" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "베타" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "채색:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "정전기 전위" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "해상도:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "등가곡면 값:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "평활화:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "밝게" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "스트론튬" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "계산" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "동영상 녹화…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "분자" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "대칭적으로 동등한 원자:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "대칭 잠금" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "운영" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "대칭 원소:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "하위집단" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "하위집단:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "허용 오차:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "단단함" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "보통" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "느슨한" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "매우 느슨한" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "대칭 감지" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "중앙" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "형식 전하:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "조정:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: 팔면체" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: 선형" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: 선형" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: 삼각 평면" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: 사면체" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: 정사각 평면" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: 삼각 쌍뿔" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: 정사각 피라미드" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: 삼각 프리즘" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: 오각 쌍뿔" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: 정사각 엇각기둥" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "리간드" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "한 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "두 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "세 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "네 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "여섯 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "촉각" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "클립보드에서" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "리간드:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "그룹" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "그룹:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "아마이드" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "카르복실산염" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "에스테르" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "에틸렌" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "아세틸렌" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "페닐" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "인산염" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "설폰산염" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "진동 모드" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "진폭:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "야에모프 밴드" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "최소 y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

이 상자를 선택하기 전에 페르미 준위를 알아야 합니다. 상" "태 밀도 계산을 수행하고 데이터를 표시하여 페르미 준위를 발견할 수 있습니다 " "(데이터 맨 위에 있음). 또한, 상태 밀도 계산을 수행하면 여기의 페르미 준위가 " "상태 밀도 계산 중에 감지된 값으로 자동 설정됩니다.

이 상자가 선택되면 " "오른쪽 회전 상자에 올바른 페르미 준위가 설정되어 있는지 확인하십시오.

" "기본값: 끔

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "페르미 플롯합니까?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

0이 페르미가 되도록 에너지를 조정하세요. 페르미 준위를 " "플로팅하는 경우에만 사용할 수 있습니다.


기본값: 끔

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "0 페르미입니까?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# 특수 k-포인트를 연결하는 k-포인트:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "특수 k-포인트" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "최대 y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

페르미 준위

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

다음과 같이 특수 k-포인트를 입력합니다:

L 0.5 " "0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

즉, <symbol> " "<x> <y> <z> 여기서 x, y, z는 소수 역 공간 좌표입니다. 이 k-" "point를 그래프에 있는 순서대로 연결하는 선이 그려집니다. 격자의 방향은 이러" "한 상호 공간 점의 위치에 영향을 줄 수 있습니다.

결정체의 공간 그룹이 감" "지되거나 설정되면 특수 k 포인트는 해당 공간 그룹에 대한 기본 격자 높은 대칭 " "포인트로 자동 채워집니다. 몇 개의 공간 그룹은 (a > b 또는 a < b와 같은 " "경우) 격자에 따라 다른 높은 대칭점이 있습니다 - 이는 자동으로 고려됩니다." #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

특수 k-포인트를 연결할 k-포인트의 수를 입력합니다. 이러" "한 k-포인트가 많을수록 그래프가 부드러워지지만 계산 시간이 더 오래 걸릴 수 있" "습니다.

기본값: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

플롯에서 y 범위를 제한하겠습니까?

기본값: 끔" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "y 범위를 제한하겠습니까?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

주기적 차원의 수입니다.


이것이 1로 설" "정되면 재료는 결정체의 A 벡터를 따라 주기적으로만 나타납니다.


이것이 2로 설정되면 재료는 결정체의 A 및 B 벡터를 따라 주기적으로 됩니" "다.


이것이 3으로 설정되면 재료는 결정체의 A, B 및 C 벡터를 " "따라 주기적입니다.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "차원 수:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "야에모프 입력을 표시하겠습니까?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Launchpad Contributions:,Avogadro Team,Bundo,Kim Hanjo,Para, Sang-hyeon " "Lee,dlonie, park gong gu, seokhyun an, simmon" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "loniedavid@gmail.com, an6207@gmail.com, simmon@nplob.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "옵션 '%1'은(는) 객체를 참조하지 않습니다." #, qt-format #~ msgid "Tab %1" #~ msgstr "탭 %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "오류: 값은 키 '%1'에 대한 객체여야 합니다." #~ msgid "Edit Color Opacity Map…" #~ msgstr "색상 불투명도 지도 편집…" #~ msgid "ColorOpacityMap" #~ msgstr "색상불투명도지도" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "주로 부피 렌더링을 위해, 색상 불투명도 지도를 편집합니다." #~ msgid "Volume Rendering" #~ msgstr "부피 렌더링" #~ msgid "Cube" #~ msgstr "큐브" #~ msgid "Enable volume rendering" #~ msgstr "부피 렌더링 활성화" #~ msgid "Enable surface rendering" #~ msgstr "표면 렌더링 활성화" #~ msgid "Isovalue" #~ msgstr "등가값" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "에너지 스크립트에 대한 메타 자료 검색 중 오류: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "에너지 스크립트에 대한 메타 자료 구문 분석 중 오류: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "에너지 스크립트에 대한 자료 구문 분석 중 오류: %1\n" #~ "결과는 JSON 객체가 아닙니다.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "스크립트%1을(를)불러올수없음" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "경로 %2에서 %1 스크립트를 확인하는 중" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "각도:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "취소" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(보류 중)" #~ msgid "unknown molecule" #~ msgstr "알 수 없는 분자" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "참조 축 오버레이" #~ msgid "Meshes" #~ msgstr "메쉬" #~ msgid "Plot RMSD curve…" #~ msgstr "RMSD 곡선 플롯…" #~ msgid "PlotRmsd" #~ msgstr "플롯Rmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "RMSD 곡선을 생성하고 플로팅합니다." #, fuzzy, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "원자 레이블 도구\t(%1)\n" #~ "\n" #~ "왼쪽 마우스:\t사용자 정의 레이블을 추가하려면 원자 클릭" #~ msgid "Max 2*theta:" #~ msgstr "최대 2*세타:" #, fuzzy, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick and drag to rotate the view.\n" #~ "Middle Mouse:\tClick and drag to zoom in or out.\n" #~ "Right Mouse:\tClick and drag to move the view.\n" #~ "Double-Click:\tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation 도구\t(%1)\n" #~ "\n" #~ "왼쪽 마우스:\t클릭하고 드래그하여 보기를 회전합니다.\n" #~ "중간 마우스 :\t클릭하고 줌을 켜거나 밖으로 드래그하십시오.\n" #~ "마우스 오른쪽:\t클릭하고 보기를 이동합니다.\n" #~ "더블 클릭:\t보기를 재설정.\n" #~ "\n" #~ "왼쪽 클릭 & 채권을 설정하려면 드래그:\n" #~ "왼쪽 클릭 & 본드의 원자 중 하나를 드래그하여 각도를 변경\n" #~ "오른쪽 클릭 & 채권의 원자 중 하나를 드래그하여 길이를 변경합니다" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "원자, 결합, 각도 및 비틀림 속성을 표시하고 편집하기 위한 표입니다." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Align 분자\n" #~ "\n" #~ "왼쪽 마우스: 최대 2개의 원자를 선택합니다.\n" #~ "첫번째 원자는 원점의 중심에 있습니다.\n" #~ "두 번째 원자는 선택한 축으로 정렬됩니다.\n" #~ "마우스 오른쪽: 정렬 재설정.\n" #~ "Double-Click: 원자를 원점 중심에 나두기." #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "기본값:\t 아래로 스크롤하여 축소, 위로 스크롤하여 확대 \n" #~ "역방향:\t 위로 스크롤하여 축소, 아래로 스크롤하여 확대" #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "다각형 메쉬를 렌더링합니다." #~ msgid "&Analysis" #~ msgstr "분석(&A)" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "가져오기(&I)..." #~ msgid "Set Color..." #~ msgstr "색상 설정..." #~ msgid "&Export..." #~ msgstr "내보내기(&E)..." #~ msgid "&Load data..." #~ msgstr "데이터 읽기(&L)..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "부분 전하" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "결합 중심 조작 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭과 드래그로 보기를 회전합니다. \n" #~ "중간 마우스: \t클릭과 드래그로 확대 또는 축소합니다. \n" #~ "오른쪽 마우스: \t클릭과 드래그로 보기를 이동합니다. \n" #~ "더블 클릭: \t보기를 재설정합니다. \n" #~ " \n" #~ "결합을 마우스 왼쪽 버튼으로 클릭과 드래그로 조작 평면 설정: \n" #~ "결합내 원자 중 하나를 마우스 왼쪽 버튼으로 클릭과 드래그로 각도 변경 \n" #~ "결합내 원자 중 하나를 마우스 오른쪽 버튼으로 클릭과 드래그로 길이 변경" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "그리기 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭 및 드래그로 원자 및 결합 생성 \n" #~ "오른쪽 마우스: \t원자 삭제" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "원자 레이블 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t사용자 정의 레이블을 추가하려면 원자 클릭" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "측정 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t최대 4개의 원자를 선택합니다. \n" #~ "\t거리는 1-2와 2-3 사이에서 측정 \n" #~ "\t각도는 2를 공통점으로 사용하여 1-3 사이에서 측정 \n" #~ "\t이면체는 1-2-3-4 사이에서 측정 \n" #~ "오른쪽 마우스: \t측정값을 재설정합니다." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "탐색 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭과 드래그로 보기를 회전합니다. \n" #~ "중간 마무스: \t클릭과 드래그로 확대 또는 축소합니다. \n" #~ "오른쪽 마우스: \t클릭과 드래그로 보기를 이동합니다.\n" #~ msgid "Animation Tool" #~ msgstr "애니메이션 도구" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "선택 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t개별 원자, 잔류물 또는 조각을 선택하려면 클릭 \n" #~ "\t드래그하여 원자 범위 선택 \n" #~ "오른쪽 마우스: \t선택을 취소하려면 분자 외부 클릭 \n" #~ "Ctrl을 사용하여 선택을 전환하고 Shift를 사용하여 선택에 추가합니다. \n" #~ "더블 클릭: \t전체 조각을 선택합니다." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "템플릿 도구\n" #~ "\n" #~ "금속 중심을 포함하여 조각을 넣으세요.\n" #~ "원소와 조정 기하학을 선택하고, 그 다음 눌러 조각을 넣으세요.\n" #~ "\n" #~ "리간드 또는 기능성 그룹을 선택하고 수소 원자를 누르고 이를 부착하세요." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "조작 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭과 드래그로 원자 이동 \n" #~ "오른쪽 마무스: \t클릭과 드래그로 선택한 원자 회전합니다.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "주변 폐색이 있는 VdW 구체의 간단한 표시입니다." #~ msgid "Geometry" #~ msgstr "기하학" #~ msgid "Add Unit Cell" #~ msgstr "단위 격자 추가" #~ msgid "By Atomic Index" #~ msgstr "원자 색인별" #~ msgid "By Distance" #~ msgstr "거리별" #~ msgid "Select Water…" #~ msgstr "물 선택…" #~ msgid "&Copy" #~ msgstr "복사(&C)" #~ msgid "Molecule Name:" #~ msgstr "분자 이름:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "분자량 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "화학 공식:" #~ msgid "Number of Atoms:" #~ msgstr "원자의 수:" #~ msgid "Number of Bonds:" #~ msgstr "결합의 수:" #~ msgid "TODO" #~ msgstr "할 것" #~ msgid "Line Size:" #~ msgstr "선 크기:" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS 입력 (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "입력 생성기 스크립트를 실행하는 데 사용되는 파이썬 해석기를 선택합니다. \n" #~ "변경 사항을 적용하려면 아보가드로를 다시 시작해야 합니다." #~ msgid "Set Python Path…" #~ msgstr "파이썬 경로 설정…" #~ msgid "Fragment…" #~ msgstr "조각…" #~ msgid "Functional Groups" #~ msgstr "기능 그룹" #~ msgid "Help..." #~ msgstr "도움말..." #~ msgid "Submit Calculation..." #~ msgstr "계산 제출..." #~ msgid "Save File..." #~ msgstr "파일 저장..." #~ msgid "Download Plugins..." #~ msgstr "플러그인 다운로드..." #~ msgid "Record Movie..." #~ msgstr "동영상 녹화..." #~ msgid "Other..." #~ msgstr "기타..." #~ msgid "Client server operations." #~ msgstr "클라이언트 서버 작업입니다." #~ msgid "S&erver" #~ msgstr "서버(&E)" #~ msgid "Connection failed" #~ msgstr "연결 실패" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "%2:%3에 대한 연결 실패: 연결이 거부되었습니다." #~ msgid "Remote service error" #~ msgstr "원격 서비스 오류" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "연결 실패: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "클라이언트 서버" #~ msgid "Connection refused" #~ msgstr "연결 거부" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "%2:%3에 연결했습니다!" #~ msgid "Filename" #~ msgstr "파일이름" #~ msgid "Formula" #~ msgstr "공식" #~ msgid "InChIKey" #~ msgstr "국제 화학 식별자키" #~ msgid "&MongoChem" #~ msgstr "몽고켐(&M)" #~ msgid "Mongo Chem Server" #~ msgstr "몽고 켐 서버" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "몽고 켐 서버와의 인터페이스입니다." #~ msgid "YAeHMOP Band Structure" #~ msgstr "야에모프 밴드 구조" #~ msgid "Server settings" #~ msgstr "서버 설정" #~ msgid "&Hostname:" #~ msgstr "호스트이름(&H):" #~ msgid "Port" #~ msgstr "포트" #~ msgid "Test C&onnection..." #~ msgstr "연결 테스트(&O)..." #~ msgid "Look in:" #~ msgstr "살펴보기:" #~ msgid "Navigate Back" #~ msgstr "뒤로 탐색" #~ msgid "Navigate Forward" #~ msgstr "앞으로 탐색" #~ msgid "Navigate Up" #~ msgstr "위로 탐색" #~ msgid "File name:" #~ msgstr "파일 이름:" #~ msgid "Files of type:" #~ msgstr "파일 유형:" #~ msgid "MongoChem Config" #~ msgstr "몽고켐 구성" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API 키:" #~ msgid "Base URL:" #~ msgstr "기본 URL:" #~ msgid "Config" #~ msgstr "구성" #~ msgid "Upload" #~ msgstr "업로드" #~ msgid "Docker" #~ msgstr "도커" #~ msgid "Singularity" #~ msgstr "특이성" #~ msgid "Container:" #~ msgstr "컨테이너:" #~ msgid "Image:" #~ msgstr "이미지:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"theory\": \"dft\",

\n" #~ "

\"functional\": \"b3lyp\",

\n" #~ "

\"basis\": \"6-31g\",

\n" #~ "

\"task\": \"energy\"

\n" #~ "

}

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"이론\": \"dft\",

\n" #~ "

\"기능\": \"b3lyp\",

\n" #~ "

\"기본\": \"6-31g\",

\n" #~ "

\"작업\": \"에너지\"

\n" #~ "

}

" #~ msgid "Input Parameters:" #~ msgstr "입력 매개변수:" #~ msgid "Element & Ordinal" #~ msgstr "원소 및 서수" #~ msgid "'c' coordinate." #~ msgstr "'c' 좌표입니다." #, fuzzy #~ msgid "All files (*);;" #~ msgstr "모든 파일" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "이면각:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "분자" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "설정된 분자 없음" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "pH를 위해 수소 추가..." #~ msgid "Atom Properties..." #~ msgstr "원자 정보..." #~ msgid "Bond Properties..." #~ msgstr "결합 정보..." #~ msgid "Angle Properties..." #~ msgstr "결합각 정보..." #~ msgid "Torsion Properties..." #~ msgstr "비틀림 정보..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "분자 속성..." #~ msgid "Create Surfaces..." #~ msgstr "표면 형성..." #~ msgid "Insert Fragment..." #~ msgstr "파편 삽입..." #~ msgid "Theory:" #~ msgstr "이론:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "거리 (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "회전가능한" #, fuzzy #~| msgid "Conformer %1" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "이형태체 %1" #, fuzzy #~| msgid "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "이형태체 %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "각 %1" #, fuzzy #~| msgid "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "이형태체 %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "비틀림 %1" #, fuzzy #~| msgctxt "Degree symbol" #~| msgid "Torsion %1" #~ msgid "Torsion" #~ msgstr "비틀림 %1" #, fuzzy #~| msgid "Energy (kJ/mol):" #~ msgid "Energy (kJ/mol)" #~ msgstr "에너지 (kJ/mol):" #, fuzzy #~| msgid "Years" #~ msgid "Yes" #~ msgstr "년" #, fuzzy #~| msgid "Neon" #~ msgid "No" #~ msgstr "네온" #, fuzzy #~ msgid "Import" #~ msgstr "불러오기" #~ msgid "Insert SMILES" #~ msgstr "SMILES 삽입" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES 조각 삽입:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "조각 삽입" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "더 큰 분자를 만들기 위해 분자 조각 삽입" #~ msgid "E&xtensions" #~ msgstr "확장기능" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&구조 최적화" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "구조 최적화" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "수소 추가" #, fuzzy #~ msgid "Stopped" #~ msgstr "중지" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "표면" #~ msgid "Color by Index" #~ msgstr "색인에 따라 채색" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "색인에 따라 채색 (빨강, 오렌지색, 노랑, 녹색, 파랑, 보라색)" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "부분 전하를 기반으로 채색 (파랑 = 양수, 빨강 = 음수)" #~ msgid "Custom Color:" #~ msgstr "사용자 지정 색:" #~ msgid "Set custom colors for objects" #~ msgstr "개체에 대한 사용자 색상 정의" #~ msgid "Color by Distance" #~ msgstr "거리에 따라 채색" #~ msgid "Color by distance from the first atom." #~ msgstr "첫번째 원자에서부터 거리로 채색" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "색상요소를 기반으로 채색 (탄소 = 회색, 산소 = 빨강, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "잔여부분 채색 (아미노산 타입, 광견병, ..." #~ msgid "Ununtrium" #~ msgstr "운운트리움" #~ msgid "Ununpentium" #~ msgstr "운운펜튬" #~ msgid "Ununseptium" #~ msgstr "운운셉튬" #~ msgid "Ununoctium" #~ msgstr "운운옥튬" #~ msgid "Engines" #~ msgstr "엔진" #~ msgid "Axes" #~ msgstr "축" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "공 (원자)과 막대 (결합)을 기본 요소로 표시" #~ msgid "Hydrogen Bond" #~ msgstr "수소결합" #~ msgid "Renders hydrogen bonds" #~ msgstr "수소결합 표시" #~ msgid "Select Atom Labels Color" #~ msgstr "원자 레이블 색상 선택" #~ msgid "Select Bond Labels Color" #~ msgstr "결합 레이블 색상 선택" #~ msgid "Select Bond Labels Font" #~ msgstr "결합 레이블 글꼴 선택" #~ msgid "Polygon" #~ msgstr "다각형" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "원자를 정사면체, 정팔면체, 기타 다각형으로 표시" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "단백질 골격을 리본형으로 표시" #~ msgid "Ring" #~ msgstr "고리형" #~ msgid "Renders rings with colored planes" #~ msgstr "채색된 평면과 함께 고리형으로 표시" #~ msgid "Simple Wireframe" #~ msgstr "단순한 와이어 프레임" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "거대분자에 최적화된 선으로 결합 나타내기" #~ msgid "Van der Waals Spheres" #~ msgstr "반 데르 발스 구형" #~ msgid "Stick" #~ msgstr "막대기" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "전자 밀도, 등곡면 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 등곡면 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "초거대분자에 최적화된 선형으로 결합 나타내기" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi 확장기능 추가" #~ msgid "Animation..." #~ msgstr "애니메이션..." #~ msgid "Cannot read file format of file %1." #~ msgstr "%1 파일 포맷을 읽을 수 없습니다." #~ msgid "Read trajectory file %1 failed." #~ msgstr "%1 궤도 파일을 읽는 데에 실패했습니다." #~ msgid "Must specify a valid .avi file name" #~ msgstr "유효한 .avi 파일 이름을 지정해야 합니다" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL 위젯이 비디오를 저장하기 위해 올바르게 초기화되지 않았습니다" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "잘못된 비디오 파일이름. 전체 디렉토리 경로를 포함해야 합니다" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "잘못된 비디오 파일이름. 전체 디렉토리 경로와 파일이름을 포함하고, avi 확장" #~ "자로 끝나야 합니다." #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "궤도, 반응, 진동 애니메이션으로 표시" #~ msgid "Number of atoms: %1" #~ msgstr "원자의 수 : %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "회전할 수 있는 결합의 수: %1" #~ msgid "Add constraint" #~ msgstr "구속을 추가" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "분자에 구속을 추가하기 위해서는 최소한 하나의 원자를 포함하고 있어야 합니" #~ "다" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "분자에 결합 구속을 추가하기 위해서는 최소한 두 개의 원자를 포함하고 있어" #~ "야 합니다" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "분자에 각 구속을 추가하기 위해서는 최소한 세 개의 원자를 포함하고 있어야 " #~ "합니다" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "분자에 비틀림 구속를 추가하기 위해서는 최소한 네 개의 원자를 포함하고 있어" #~ "야 합니다" #~ msgid "&Length Unit" #~ msgstr "길이 단위(&L)" #~ msgid "&Angle Unit" #~ msgstr "각도 단위(&A)" #~ msgid "Hide &Property Display" #~ msgstr "속성 창 숨기기(&P)" #~ msgid "Show &Property Display" #~ msgstr "속성 창 보이기(&P)" #~ msgid "&Radian" #~ msgstr "라디안(&R)" #~ msgid "Trajectory..." #~ msgstr "궤도..." #~ msgid "Open chemical file format" #~ msgstr "화학 파일 포맷 열기" #~ msgid "Chemical files (*.xyz)" #~ msgstr "화학 파일 (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "매개 변수 파일 열기" #~ msgid "Import Trajectory" #~ msgstr "궤도 가져오기" #~ msgid "Import trajectory files" #~ msgstr "궤도 파일 불러오기" #~ msgid "Calculate Energy" #~ msgstr "에너지 계산" #~ msgid "Constraints..." #~ msgstr "구속..." #~ msgid "ForceField" #~ msgstr "힘 영역" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "분자역학 힘 영역을 이용하여 분자를 최적화하고 이형태체를 형성" #~ msgid "&Vector Graphics..." #~ msgstr "벡터 그래픽(&V)" #~ msgid "Common vector image formats" #~ msgstr "일반적인 벡터 이미지 포맷" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "벡터 그래픽 내보내기" #~ msgid "Change H to Methyl" #~ msgstr "수소를 메틸로 변경하기" #~ msgid "H to Methyl" #~ msgstr "수소를 메틸로" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "수소를 메틸기로 변경하기" #~ msgid "Add or remove hydrogens" #~ msgstr "수소를 추가하거나 제거" #~ msgid "Peptide..." #~ msgstr "펩티드..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "올리고펩티트 배열 삽입" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "쌍극자 모멘트 추정 (D):" #~ msgid "Display standard molecular properties." #~ msgstr "일반적인 분자 속성을 보여주기" #~ msgid "Fetch from URL..." #~ msgstr "URL로 부터 가져오기..." #~ msgid "PDB Entry" #~ msgstr "PDB 입력" #~ msgid "PDB entry to download." #~ msgstr "다운로드 할 PDB 항목" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "다운로드할 분자 URL" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "지정된 분자를 불러올 수 없습니다: %1" #~ msgid "Network Fetch" #~ msgstr "네트워크에서 가져오기" #~ msgid "Fetch molecule files over the network." #~ msgstr "분자 파일을 네트워크로 가져옴" #~ msgid "Show Preview" #~ msgstr "미리보기" #~ msgid "Hide Preview" #~ msgstr "미리보기 숨기기" #~ msgid "Save POV-Ray rendered image" #~ msgstr "렌더링된 POV-Ray 이미지 저장" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "이미지 파일 (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "유효한 파일 이름을 입력하지 않았습니다." #~ msgid "Does not compute." #~ msgstr "계산할 수 없습니다." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "POV-Ray를 사용해서 렌더링하지 않고, POV-Ray 파일을 저장하지도 않도록 요청" #~ "했습니다. 이렇게 하면 아무 결과도 저장되지 않습니다. 정말로 이렇게 할까요?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "파일 %1에 기록할 수 없습니다. 그 장소에 기록할 수 있는 승인을 가지고 있습" #~ "니까?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray를 시작하는데 실패했습니다." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray를 시작하지 못했습니다. 아마도 실행 파일 위치가 잘못 설정되어 있을 " #~ "것입니다." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "POV-Ray 파일을 만들고 POV-Ray 명령행 프로그램을 사용하여 렌더링함" #~ msgid "Conformer Properties..." #~ msgstr "이형태체 정보..." #~ msgid "Python Terminal" #~ msgstr "파이썬 터미널" #~ msgid "pythonTerminalDock" #~ msgstr "파이썬 터미널 도크" #~ msgid "Interactive python scripting terminal" #~ msgstr "쌍방향 파이썬 스크립트 터미널" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP 선택..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM 선택..." #~ msgid "You must make a selection!" #~ msgstr "선택을 하여야 합니다" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES 변환이 불가능함" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES 포맷 변환이 불가능합니다!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "GAMESS 양자 화학 패키지를 위해 입력 파일을 형성" #~ msgid "Advanced Settings Changed" #~ msgstr "고급 설정이 변경됨" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "고급 설정이 변경되었습니다.\n" #~ "저장하지 않으시겠습니까?" #~ msgid "Advanced Settings Reset" #~ msgstr "고급 설정이 초기화됨" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "고급 설정을 초기화 하시겠습니까?\n" #~ "모든 변경사항을 잃게됩니다!" #~ msgid "Basic Settings Reset" #~ msgstr "기본 설정 초기화" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "기본 설정 내용을 초기화 하시겠습니까?\n" #~ "모든 변경사항을 잃게됩니다!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "가우스 입력 데크 생성기 경고" #~ msgid "Gaussian Running." #~ msgstr "가우스 실행중" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "가우스가 이미 실행중입니다. 이전의 계산이 끝날 때까지 기다려 주십시오" #~ msgid "Gaussian Not Installed." #~ msgstr "가우스가 설치되지 않았습니다." #~ msgid "The G03 executable, cannot be found." #~ msgstr "실행가능한 G03이 발견되지 않았습니다" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03이 시작하지 않았습니다. 아마도 완전히 설치되지 않은 것 같습니다." #~ msgid "Running Gaussian calculation..." #~ msgstr "가우스 계산 실행중..." #~ msgid "G03 Crashed." #~ msgstr "G03 충돌" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "가우스가 정확하게 동작하지 않습니다. 아마도 완전히 설치되지 않은 것으로 보" #~ "입니다." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC 입력 경고" #~ msgid "MOPAC Running." #~ msgstr "MOPAC 실행중." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC이 이미 실행중입니다. 이전의 계산이 끝날 때까지 기다려주십시오." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC이 설치되지 않았습니다." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "실행할 수 있는 MOPAC을 찾지 못했습니다" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC이 시작되지 않았습니다. 아마도 올바르게 설치되지 않은 것 같습니다." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC 계산 실행중..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC 충돌" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC이 올바르게 실행되지 않았습니다. 아마도 올바르게 설치되지 않은 것 같" #~ "습니다." #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem 입력 데크 생성기 경고" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Q-Chem 입력 데크 미리보기에서 만들어진 모든 변경사항을 잃고, 이전의 텍스트" #~ "를 업데이트 하시겠습니까?" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS 선택..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS 선택" #~ msgid "SMARTS pattern to select" #~ msgstr "선택할 SMARTS 패턴" #~ msgid "There is no current selection." #~ msgstr "최근에 선택한 것이 없습니다." #~ msgid "Name cannot be empty." #~ msgstr "이름이 비워져서는 안됩니다." #~ msgid "There is already a selection with this name." #~ msgstr "이미 이 이름을 선택한 경우가 있습니다." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "원자, 결합, 잔류물 선택" #~ msgid "Open a vertex shader source file" #~ msgstr "vertex shader 소스 파일 열기" #~ msgid "Open a fragment shader source file" #~ msgstr "fragment shader 소스 파일 열기" #~ msgid "Open a shader parameters file" #~ msgstr "shader 파라미터 파일 열기" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "OpenGL 2.0 GLSL shader를 열고 사용하기" #~ msgid "Transmittance (%)" #~ msgstr "투과율 (%)" #~ msgid "Absorbance (%)" #~ msgstr "흡광도 (%)" #~ msgid "No intensities" #~ msgstr "Intensity 값 없음" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "지금 연 분자의 vibration 데이터에는 intensity 값이 없습니다. Intensity는 " #~ "시각화를 위해 임의의 값이 주어집니다." #~ msgid "X Axis" #~ msgstr "X 축" #~ msgid "Y Axis" #~ msgstr "Y 축" #~ msgid "&Infrared Spectra Settings" #~ msgstr "적외선 스펙트럼 설정" #~ msgid "&NMR Spectra Settings" #~ msgstr "NMR 스펙트럼 설정" #~ msgid "&UV Settings" #~ msgstr "자외선 설정(&U)" #~ msgid "No data" #~ msgstr "데이터 없음" #~ msgid "Dark" #~ msgstr "어둡게" #~ msgid "Publication" #~ msgstr "출판" #~ msgid "New Scheme" #~ msgstr "새 도표" #~ msgid "Confirm Scheme Removal" #~ msgstr "도표 제거 확인" #~ msgid "Really remove current scheme?" #~ msgstr "최근의 도표를 제거하시겠습니까?" #~ msgid "Change Scheme Name" #~ msgstr "도표 이름 변경" #~ msgid "Enter new name for current scheme:" #~ msgstr "최근의 도표에 대한 새로운 이름 입력:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "탭으로 분리된 값 (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "탭으로 분리된 값" #~ msgid "Comma Separated Values" #~ msgstr "쉼표로 분리된 값" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "알려지지 않은 확장자: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR 데이터 (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR 데이터 (control)" #~ msgid "Data Format" #~ msgstr "데이터 형식" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "형식:" #~ msgid "Load Spectral Data" #~ msgstr "스펙트럼 데이터 불러오기" #~ msgid "Portable Network Graphics" #~ msgstr "PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "선택된 이미지 파일 형식" #~ msgid "Windows Bitmap" #~ msgstr "Windows 비트맵" #~ msgid "Portable Pixmap" #~ msgstr "휴대용 픽스맵(PPM)" #~ msgid "X11 Bitmap" #~ msgstr "X11 비트맵" #~ msgid "X11 Pixmap" #~ msgstr "X11 픽스맵" #~ msgid "Save Spectra Image" #~ msgstr "스펙트럼 이미지 저장" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "양자화학 계산 결과로부터 스펙트럼을 보여줌" #~ msgid "Vibrational Analysis" #~ msgstr "진동 계산" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "이 문서는 현재 분리된 분자입니다. 유닛 셀을 만들어야 합니다." #~ msgid "Orbitals" #~ msgstr "오비탈" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "없음" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "반 데르 발스" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "전자 밀도" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "오류 - 정의되지 않은 타입" #~ msgid "Insert Nanotube" #~ msgstr "나노튜브 삽입" #~ msgid "GL widget has no molecule" #~ msgstr "GL 위젯은 분자를 가지고 있지 않음" #~ msgid "Building video " #~ msgstr "비디오 만들기 " #~ msgid "Could not run mencoder." #~ msgstr "멘코더를 실행할 수 없음" #~ msgid "Connect" #~ msgstr "연결" #~ msgid "Disconnect" #~ msgstr "연결 해제" #~ msgid "Debug Information" #~ msgstr "디버그 정보" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "보기 크기: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "원자: %L1" #~ msgid "Could not open file '%1' for reading." #~ msgstr "읽기 위한 파일 '%1'을 열 수 없습니다" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "읽기 위한 %1 파일을 열 수 없습니다." #~ msgid "File %1 can not be opened for writing." #~ msgstr "파일 %1을 쓰기 위해 열 수 없습니다" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "분자 파일 저장 실패 - 새 파일의 이름을 변경할 수 없음" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "분자 파일 저장 실패 - 이전 파일을 지울 수 없음" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "파일 '%1'에 분자 기록 실패. OpenBabel 기능 실패." #~ msgid "Molecule %1" #~ msgstr "분자 %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "알수없는 Python 엔진" #~ msgid "PythonEngine: checking " #~ msgstr "Python엔진: 확인중 " #~ msgid " - no module" #~ msgstr " - 모듈이 없음" #~ msgid "Unknown Python Extension" #~ msgstr "알수없는 Python 확장기능" #~ msgid "PythonExtension: checking " #~ msgstr "Python확장기능: 확인중 " #~ msgid "Unknown Python Tool" #~ msgstr "알수없는 Python 도구" #~ msgid "PythonTool: checking " #~ msgstr "Python도구: 확인중 " #~ msgid "Tools" #~ msgstr "도구" #~ msgid "Align:" #~ msgstr "정렬:" #~ msgid "Everything" #~ msgstr "전체" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "자동설정: 힘영역을 설정할 수 없습니다...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "자동설정: E = %1 %2 (dE = %3)" #~ msgid "Algorithm:" #~ msgstr "알고리즘:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "분자동역학 (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "분자동역학 (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "고정된 원자를 움직일 수 있습니다" #~ msgid "Ignored atoms are movable" #~ msgstr "무시된 원자를 움직일 수 있습니다" #~ msgid "AutoOpt Molecule" #~ msgstr "분자 자동설정" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "분자구조 자동최적화" #~ msgid "AutoOptimization Settings" #~ msgstr "자동최적화 설정" #~ msgid "Auto Rotation Tool" #~ msgstr "자동 회전 도구" #~ msgid "x rotation:" #~ msgstr "x 회전:" #~ msgid "x rotation" #~ msgstr "x 회전" #~ msgid "y rotation:" #~ msgstr "y 회전:" #~ msgid "y rotation" #~ msgstr "y 회전" #~ msgid "z rotation:" #~ msgstr "z 회전:" #~ msgid "z rotation" #~ msgstr "z 회전" #~ msgid "Automatic rotation of molecules" #~ msgstr "분자 자동 회전" #~ msgid "AutoRotate Settings" #~ msgstr "자동 회전 설정" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "결합 길이: %L1" #~ msgid " Show Angles" #~ msgstr " 각 보여주기" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "거리 (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "거리 (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "이면각: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "거리:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "결합 길이, 각, 이면각 측정" #~ msgid "Draw Bond" #~ msgstr "결합 그리기" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "원자와 결합 그리기 및 편집" #~ msgid "Draw Settings" #~ msgstr "그리기 설정" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "원자와 조각을 해석, 회전 및 조작" #~ msgid "Manipulate Settings" #~ msgstr "조작 설정" #~ msgid "Navigate Settings" #~ msgstr "내비게이션 설정" #~ msgid "Selection Mode:" #~ msgstr "선택 모드:" #~ msgid "Atom/Bond" #~ msgstr "원자/결합" #~ msgid "Residue" #~ msgstr "잔류물" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "원자, 잔류물, 분자 선택" #~ msgid "Symbol" #~ msgstr "기호" #~ msgid "Bond Length" #~ msgstr "결합 길이" #~ msgid "Dihedral Angle" #~ msgstr "이면각" #~ msgid "Create/edit a z-matrix" #~ msgstr "z-matrix 만들기/편집" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix 설정" #~ msgid "Color residues by:" #~ msgstr "잔류물 채색:" #~ msgid "Hydrophobicity" #~ msgstr "소수성" #~ msgid "Atom Radius:" #~ msgstr "원자 반지름:" #~ msgid "Bond Radius:" #~ msgstr "결합 반지름:" #~ msgid "Shape" #~ msgstr "모양" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "반복" #~ msgid "Dipole:" #~ msgstr "쌍극자:" #~ msgid "Width:" #~ msgstr "폭:" #~ msgid "Cut-off angle:" #~ msgstr "각 잘라내기:" #~ msgid "Symbol & Atom number" #~ msgstr "기호 & 원자 번호" #~ msgid "Custom data" #~ msgstr "사용자 설정 값" #~ msgid "Bond length" #~ msgstr "결합 길이" #~ msgid "Bond number" #~ msgstr "결합 번호" #~ msgid "Bond order" #~ msgstr "결합 차수" #~ msgid "Radius:" #~ msgstr "반지름:" #~ msgid "Include Nitrogens" #~ msgstr "질소 포함" #~ msgid "Orbital:" #~ msgstr "오비탈:" #~ msgid "Render:" #~ msgstr "표현:" #~ msgid "Fill" #~ msgstr "채우기" #~ msgid "Points" #~ msgstr "점" #~ msgid "Draw Box:" #~ msgstr "그리기 상자:" #~ msgid "Positive" #~ msgstr "양수" #~ msgid "Negative" #~ msgstr "음수" #~ msgid "Show Atoms" #~ msgstr "원자 보여주기" #~ msgid "Animate Trajectory" #~ msgstr "궤도 애니메이션 시작" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "반복" #~ msgid "Save as .avi..." #~ msgstr "avi 형식으로 저장하기" #~ msgid "Number of atoms:" #~ msgstr "원자의 수:" #~ msgid "Number of rotatable bonds:" #~ msgstr "회전가능한 결합의 수:" #~ msgid "Ignore Atom" #~ msgstr "무시된 원자" #~ msgid "Fix Atom" #~ msgstr "원자 고정" #~ msgid "Fix Atom X" #~ msgstr "원자 X 고정" #~ msgid "Fix Atom Y" #~ msgstr "원자 Y 고정" #~ msgid "Fix Atom Z" #~ msgstr "원자 Z 고정" #~ msgid "Torsion angle" #~ msgstr "비틀림 각도" #~ msgid "Save" #~ msgstr "저장" #~ msgid "Load" #~ msgstr "불러오기" #~ msgid "File Import..." #~ msgstr "파일 불어오기..." #~ msgid "Setup Force Field" #~ msgstr "힘 영역 설정" #~ msgid "Algorithm" #~ msgstr "알고리즘" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "잔류물의 수:" #~ msgid "Dipole Moment (D):" #~ msgstr "쌍극자 모멘트 (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "Advanced" #~ msgstr "고급" #~ msgid "Grid" #~ msgstr "격자" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray 내보내기" #~ msgid "Select..." #~ msgstr "선택..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "전체 화면 안티앨리어싱 사용" #~ msgid "Antialias" #~ msgstr "안티앨리어싱" #~ msgid "Set the background color to be transparent" #~ msgstr "배경화면 색상 투명하게 설정하기" #~ msgid "Alpha transparency" #~ msgstr "알파 투명" #~ msgid "Compute..." #~ msgstr "계산..." #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "&Advanced Setup" #~ msgstr "고급 설정(&A)" #~ msgid "System" #~ msgstr "시스템" #~ msgid "Read" #~ msgstr "읽기" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "Default" #~ msgstr "기본값" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Debug" #~ msgstr "디버그" #~ msgid "CI" #~ msgstr "CI" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "Minutes" #~ msgstr "분" #~ msgid "Hours" #~ msgstr "시간" #~ msgid "Days" #~ msgstr "일" #~ msgid "Weeks" #~ msgstr "주" #~ msgid "MegaBytes" #~ msgstr "메가바이트" #~ msgid "GigaBytes" #~ msgstr "기가바이트" #~ msgid "Memory:" #~ msgstr "메모리:" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "반복" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "다음 값" #~ msgid "Skip" #~ msgstr "건너뛰기" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "알파와 베타 오비탈 회전" #~ msgid "Grid-Free" #~ msgstr "격자 없애기" #~ msgid "Quadratic Approximation" #~ msgstr "2차 근사치" #~ msgid "Standard" #~ msgstr "표준" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem 입력" #~ msgid "Display Type:" #~ msgstr "표시 형식:" #~ msgid "Font:" #~ msgstr "글꼴:" #~ msgid "Change Font..." #~ msgstr "글꼴 변경..." #~ msgid "New..." #~ msgstr "새로 만들기..." #~ msgid "Rename..." #~ msgstr "이름 바꾸기..." #~ msgid "&Schemes:" #~ msgstr "도표(&S):" #~ msgid "&DPI:" #~ msgstr "DPI(&D):" #~ msgid "&Width:" #~ msgstr "너비(&W):" #~ msgid "&Height" #~ msgstr "높이(&H)" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "&Y Axis Units:" #~ msgstr "Y 축 단위:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "분자 진동" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "고주파 진동은 빠른 운동을 보여줄 것입니다" #~ msgid "Animation speed set by frequency" #~ msgstr "진동수에 의한 애니메이션 속도 설정" #~ msgid "Display force &vectors" #~ msgstr "힘, 벡터 표시" #~ msgid "Surface Type:" #~ msgstr "표면 형식:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "낮음" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "중간" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "높음" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "매우 높음" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "표시 형식:" #~ msgid "New Display" #~ msgstr "새로운 창" #~ msgid "Advanced..." #~ msgstr "고급..." #~ msgid "Python Settings" #~ msgstr "파이썬 설정" #~ msgid "Z Matrix Editor" #~ msgstr "Z 행렬 편집기" OpenChemistry-avogadrolibs-ceb949f/i18n/ms.po000066400000000000000000013130731516317240700212400ustar00rootroot00000000000000# Malay translation for avogadro # Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2012. # Azuwan , 2021. # Kazuki278 , 2021. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Malay \n" "Language: ms\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Penjana Input" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Teruskan" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tutup" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Tidak Diketahui" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oksigen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Florin" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminum" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silikon" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosforus" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulfur" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klorin" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Kromium" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferum" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kuprum" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromin" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yitrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdenum" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tektenium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argentum" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Stanum" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telurium" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodin" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Sesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantanum" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Serium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Emas" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Raksa" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plumbum" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Fransium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptinium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerisium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kurium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrensium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Semua Fail" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Tajuk" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Asas" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bebola dan Batang" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Kartun" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Daya" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Label" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Permukaan" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Bingkai Wayar" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Tiada tajuk" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Jadual Berkala" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Tambah Atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Buang Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Laras Hidrogen" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Ubah Unsur" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Ubah Unsur" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Tambah Ikatan" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Padam Ikatan" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Ubah Tertib Ikatan" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Buang Sel Unit" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Lilit Atom ke Sel" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Skalakan Volum Sel Unit" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Putar ke Orientasi Piawai" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Kurangkan ke Sel Primitif" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Isi Sel Unit" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Kurangkan ke Unit Asimetrik" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Tetapan" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fail" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Eksport" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Bina" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Unsur:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Jajar" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Jajar Molekul\n" "\n" "Butang Kiri Tetikus:\tPilih sehingga dua atom.\n" "\tAtom pertama berada dipusat.\n" "\tAtom kedua dijajar mengikut paksi yang dipilih.\n" "Butang Kanan Tetikus:\tTetap semula jajaran.\n" "Dwi-Klik:\tTengah atom dipusat." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Paksi:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 #, fuzzy msgid "Center the atom at the origin." msgstr "atom terpilih ke asalan" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Jajar molekul ke paksi Cartes" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Ralat" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Ralat" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Berjaya" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Warna Suai…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Unsur" #: qtplugins/applycolors/applycolors.cpp:73 #, fuzzy msgid "By Chain" msgstr "Rantaian" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Cas Separa…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "struktur sekunder" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Asid Amino" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spektrum" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Lihat" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Warna mengikut Baki" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Pengoptimuman" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Kaedah:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Suhu:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Mula" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Henti" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimumkan Geometri" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamik Molekul" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Papar Ikatan Berbilang" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulasi Di Pusat Ikatan" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Alat Manipulasi Pusat Ikatan\t(%1)\n" "\n" "Butang Kiri Tetikus:\tKlik dan seret untuk putar pandangan.\n" "Butang Tengah Tetikus:\tKlik dan seret untuk zum masuk dan keluar.\n" "Butang Kanan Tetikus:\tKlik dan seret untuk alih pandangan.\n" "Dwi-Klik:\tTetap semula pandangan.\n" "\n" "Klik Kiri & Seret pada Ikatan untuk tetapkan Satah Manipulasi:\n" "Klik Kiri & Seret pada salah satu Atom dalam Ikatan untuk mengubah sudut\n" "Klik Kanan & Seret pada salah satu Atom dalam Ikatan untuk mengubah panjang" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulasi Di Pusat Ikatan" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Ikatan" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Tulang Belakang" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Riben" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Kartun" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Tambah Pusat Jisim" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Sambungan" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Skrip" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Lain-lain…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Kira" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Sudut" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Jenis" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Penyunting koordinat…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Penyunting koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nama unsur." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol Unsur." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indeks Atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nombor Atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Suai" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Input Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Salin" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Padam" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Tenaga" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Pengoptimuman Geometri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mekanik Molekul" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "TIADA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradien Konjugat" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Penurunan Tercuram" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Import Hablur dari Papan Keratan…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Tambah Sel Unit…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Lilit Atom ke Sel" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Putar ke &Orientasi Piawai" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Skalakan Sel Ke &Volum…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Kurangkan Sel (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Hablur" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Buang Sel &Unit" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Tambah Sel &Unit" #: qtplugins/crystal/crystal.cpp:169 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Import Hablur dari Papan Keratan" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Kekalkan atom dalam sel unit." #: qtplugins/crystal/crystal.cpp:178 #, fuzzy msgid "Rotate the unit cell to the standard orientation." msgstr "Putar ke Orientasi Piawai" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 #, fuzzy msgid "The unit cell is already reduced." msgstr "Unit sel ini sudah dikurangkan." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Hablur" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Tidak Dapat Hurai Teks" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momen Dwikutub" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Lukis" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Alat Lukis\t(%1)\n" "\n" "Butang Kiri Tetikus:\tKlik dan Seret untuk cipta Atom dan Ikatan\n" "Butang Kanan Tetikus:\tPadam Atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Lukis Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Jarak:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Tunggal" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dubel" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Tripel" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Diperoleh dari PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Struktur kimia untuk dimuat turun." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Had masa tamat rangkaian atau ralat lain." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Molekul yang dinyatakan tidak ditemui: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Diperoleh dari PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Sediakan…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Baiki Atom Terpilih" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Pengoptimuman Medan Daya" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Input GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Tenaga Titik Tunggal" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometri Keseimbangan" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Keadaan Peralihan" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekuensi" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Buat EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Keupayaan Teras" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Tiada" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Air" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "DIkation" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Laras Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Tambah Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Buang Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "Sis&ip" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Sisip DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Urasil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Tiamina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Sisip Molekul…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Sisip DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Hablur…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Import Hablur" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Sisip Cebisan" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Sisip Cebisan" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Sisip cebisan molekul untuk membina molekul yang lebih besar" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Warna:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID unik" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Unsur" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Label Atom:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Anda hendak kemaskini teks pratonton, akan hilang semua perubahan dibuat " "dalam anak tetingkap pratonton dek input Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Kelegapan:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Tiada Keterangan!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulasi" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Alat Manipulasi\t(%1)\n" "\n" "Butang Kiri Tetikus:\tKlik dan seret untuk alih atom\n" "Butang Kanan Tetikus:\tKlik dan seret untuk putar atom terpilih." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Ukur" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dwihedron:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Sudut:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekul…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "Si&fat" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Sifat Molekul" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Sifat Molekul" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Eksport CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fail CSV (*.csv);;Semua fail (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Tidak dapat buka fail untuk penulisan." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Eksport…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigasi" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Alat Navigasi\t(%1)\n" "\n" "Butang Kiri Tetikus:\tKlik dan seret untuk putar pandangan.\n" "Butang Tengah Tetikus:\tKlik dan seret untuk zum masuk atau keluar.\n" "Butang Kanan Tetikus:\tKlik dan seret untuk alih pandangan." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nama Kimia" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Sediakan Medan Daya…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Gelintar Konformer…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Amati ikatan" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Tambah Hidrogen untuk pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Buang Hidrogen" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Optimumkan Geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Fail trajektori %1 tidak serasi dengan bilangan atom yang ada dalam molekul " "(%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Tambah Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Tambah Hidrogen untuk pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Buang Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan dibuat " "dalam anak tetingkap pratonton dek input OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Penjana Input" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Ikatan Dinamik" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Jeda" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "fail video (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "Sinar-PLY…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Simpan Fail" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valens" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Cas formal" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Warna" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Atom Mula" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Atom Hujung" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Tertib Ikatan" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Panjang (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "Rantaian" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Struktur Sekunder" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Puncak" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Sudut (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Heliks 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Sifat Atom…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Sifat Ikatan…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Sifat Sudut…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Sifat Kilasan…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Tetingkap untuk memaparkan sifat atom, ikatan, sudut dan kilasan." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Sifat Atom" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Sifat Ikatan" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Sifat Sudut" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Sifat Kilasan" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Sifat Konformer" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Terap primitif menggunakan sifat QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Graf Molekul…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Graf Molekul dengan Pasangan Tersendiri…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Cas Atom…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Buka Fail WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fail WFN (*.wfn);;Semua fail (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Sambungan QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Pilih mengikut Baki…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Pilih" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Pilih Baki" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Pilih" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Pemilihan" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Alat Pemilihan\t(%1)\n" "\n" "Butang Kiri Tetikus:\tKlik untuk ambil atom, baki, atau cebisan secara " "individu\n" "\tSeret untuk pilih julat atom\n" "Butang Kanan Tetikus:\tKlik diluar molekul untuk batalkan pemilihan\n" "Guna Ctrl untuk togol pemilihan dan shift untuk tambah pemilihan.\n" "Dwi-Klik:\tPilih keseluruhan cebisan." #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Atom Mula" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Cerap Kumpulan Ruang…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Kurangkan ke Unit Asimetrik" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Isi Sel Unit…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Kumpulan Ruang" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Cerapan kumpulan ruang gagal.\n" "Anda hendak cuba lagi dengan toleransi yang berbeza?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Antarabangsa" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Tetap Kumpulan Ruang" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Kumpulan Ruang" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektrum" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Terinfra Merah" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Tetapan Keadaan" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Pilih Warna Latar Belakang" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Pilih Warna Latar Hadapan" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Pilih Warna Spektrum Terkira" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Pilih Warna Spektrum Terimport" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Bilangan gelombang (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Keamatan" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Tenaga (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Gaya:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Petala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital Molekul" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Ketumpatan Elektron" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Cipta Permukaan…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Mengira Ketumpatan Elektron" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Kumpulan %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Mulakan Animasi" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Henti Animasi" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Getaran" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 gagal dimulakan" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Bentuk" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Sisip Cebisan…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Penapis:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Taip nama atau bahagian nama yang hanya paparkan fail yang sepadan." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Sisip" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Medan Daya:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Berjaya!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Cas Separa" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Tambah Kekangan" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Jenis:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Tambah" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Kosongkan" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Laksana" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Tetap Semula Semua" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Lalai" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Simpan Fail…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Persediaan &Asas" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tajuk:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kira:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Pilihan Sel Super" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ulang A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ulang B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ulang C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Laksana" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sembunyi" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Skalakan Volum Sel Unit" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Label Teks" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Tertib Ikatan:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Input GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dalam:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Gandaan:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Dengan:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Cas:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nama" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Sisip Asid Nukliek" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Pembina DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Aisid Nukliek:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Sitosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Jujukan:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "bilangan pasangan asas per giliran heliks" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Lain-lain" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Asas Per Giliran:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Jaluran:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Tunggal" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dubel" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Asid Aspartik" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Sisteina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Sis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Asid Glutamik" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gli" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleusina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirosina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tir" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trip" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Treo" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Fe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leusina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Jujukan (N ke C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereokimia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Hujung N:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Hujung C:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Rantai Lurus" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Bilangan Rantai:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Bilangan rantai untuk peptid baru" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Pilih gaya unit yang digunakan semasa simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "sebenar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "logam" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Keupayaan Air" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Pilih gaya_atom yang digunakan oleh fail data." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Gaya Atom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "sudut" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomik" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ikatan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "cas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dwikutub" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "penuh" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekul" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "pero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paket gelombang" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Nyatakan nama yang digunakan untuk fail koordinat." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fail Data Koordinat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensembel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Suhu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Pilih bilangan rantaian Nosé-Hoover dalam ensembel NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Rantaian NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Langkah masa untuk simulasi dalam unit berdasarkan pada spesifikasi \"Unit\"" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Langkah Masa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nama fail bagi fail XYZ untuk ditulis semasa simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Longgok XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Bilangan dimensi dalam sistem." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Ubah gaya sempadan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Ubah gaya sempadan Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Ubah gaya sempadan X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Pilih Gaya sempadan dalam arah X, Y dan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Sempadan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Bilangan replika dalam arah X, Y dan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replika" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replikakan arah X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replikakan arah Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replikakan arah Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Jumlah langkah masa untuk jalani simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Jumlah Langkah" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Sela Longgok" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Tetapkan halaju atom awalan untuk simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Halaju Awalan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Pilih agihan bagi halaju atom awalan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "sekata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Tetapkan halaju atom awalan unti disepadankan dengan suhu ini." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Buang momentum linear sistem daripada halaju awalan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momentum Linear Sifar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Buang momentum sudut sistem daripada halaju awalan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momentum Sudut Sifar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Kawal output termodinamik semasa simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Sela Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Gaya output termodinamik." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Satu garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Berbilang garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Guna Bentuk" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Diterjemah oleh:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Putar:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Asalan" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Paksi-X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Paksi-Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Paksi-Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Gelintar Konformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Kaedah" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Bilangan konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Gelintar rotor sistematik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Gelintar rotor rawak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Gelintar rotor berpemberat" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Gelintar algoritma genetik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Pilihan Algortima Genetik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Anak:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Ketermutasian:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy msgid "Scoring method:" msgstr "Kaedah penskoran:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Penurunan Tercuram" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Medan Daya:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Rujukan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Tunggal" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dubel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Kekangan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Jumlah Tenaga" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Panjang Gelombang:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Jejari Takat Kritikal:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Jejari Laluan Ikatan:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalen" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Saiz Malar" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Faktor Skala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Pen&ilan" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spektrum Terimport:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Papar" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Import tsv bagi spektrum eksperimen untuk tindihan pada plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Latar Belakang:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Spektrum Terkira:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Eksport Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "T&utup" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kawalan:\n" "Klik kiri dua kali: Pulih had paksi lalai\n" "Klik kanan + seret: Alih plot\n" "Klik tengah + seret: Zum ke kawasan\n" "Roda tatal: Zum ke kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kualiti: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Rendah" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Sederhana" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Sangat Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Cipta Permukaan" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Warna Mengikut:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Keupayaan Elektrostatik" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolusi:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Nilai permukaan-Iso:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Cerah" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Kira" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Cas formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "dari Papan Keratan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Kumpulan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Kumpulan:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,abuyop, ,Launchpad Contributions:,Avogadro " "Team,abuyop, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,abuyop, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,abuyop" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Sudut:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Batal" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(tertangguh)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Tetingkap untuk memaparkan sifat atom, ikatan, sudut dan kilasan." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Jajar Molekul\n" #~ "\n" #~ "Butang Kiri Tetikus: \tPilih sehingga dua atom.\n" #~ "\tAtom pertama berada dipusat.\n" #~ "\tAtom kedua dijajar mengikut paksi yang dipilih.\n" #~ "Butang Kanan Tetikus: \tTetap semula jajaran.\n" #~ "Dwi-Klik: \tTengah atom dipusat." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analitik" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Import..." #~ msgid "Set Color..." #~ msgstr "Tetapkan Warna..." #~ msgid "&Export..." #~ msgstr "&Eksport..." #~ msgid "&Load data..." #~ msgstr "&Muat data..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Cas Separa" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Alat Manipulasi Pusat Ikatan\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik dan seret untuk putar pandangan.\n" #~ "Butang Tengah Tetikus: Klik dan seret untuk zum masuk dan keluar.\n" #~ "Butang Kanan Tetikus: \tKlik dan seret untuk alih pandangan.\n" #~ "Dwi-Klik: \tTetap semula pandangan.\n" #~ "\n" #~ "Klik Kiri & Seret pada Ikatan untuk tetapkan Satah Manipulasi:\n" #~ "Klik Kiri & Seret pada salah satu Atom dalam Ikatan untuk mengubah sudut\n" #~ "Klik Kanan & Seret pada salah satu Atom dalam Ikatan untuk mengubah " #~ "panjang" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Alat Lukis (F8)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik dan Seret untuk cipta Atom dan Ikatan\n" #~ "Butang Kanan Tetikus: \tPadam Atom" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Klik untuk Ukur (F12)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tPilih sehingga tiga Atom.\n" #~ "\tJarak diukur diantara 1-2 dan 2-3\n" #~ "\tSudut diukur diantara 1-3 menggunakan 2 sebagai titik umum\n" #~ "Butang Kanan Tetikus: \tTetap semula pengukuran.Dwi-Klik: \tTetap semula " #~ "pandangan." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Alat Navigasi (F9)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik dan seret untuk putar pandangan.\n" #~ "Butang Tengah Tetikus: Klik dan seret untuk zum masuk atau keluar.\n" #~ "Butang Kanan Tetikus: \tKlik dan seret untuk alih pandangan.\n" #~ "Dwi-Klik: \tTetap semula pandangan." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animasi" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Alat Pemilihan (F11)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik untuk ambil atom, baki, atau cebisan secara " #~ "individu\n" #~ "\tSeret untuk pilih julat atom\n" #~ "Butang Kanan Tetikus: \tKlik diluar molekul untuk batalkan pemilihan\n" #~ "Guna Ctrl untuk togol pemilihan dan shift untuk tambah pemilihan.\n" #~ "Dwi-Klik: \tPilih keseluruhan cebisan." #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Alat Manipulasi (F10)\n" #~ "\n" #~ "Butang Kiri Tetikus \tKlik dan seret untuk alih atom\n" #~ "Butang Tengah Tetikus: Klik dan seret untuk alih atom lebih jauh atau " #~ "lebih dekat\n" #~ "Butang Kanan Tetikus: \tKlik dan seret untuk putar atom terpilih.\n" #~ "Dwi-Klik: \tTetap semula pandangan." #~ msgid "Geometry" #~ msgstr "Geometri" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Tambah Sel &Unit" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indeks Atom" #, fuzzy #~ msgid "By Distance" #~ msgstr "Jarak" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indeks Atom" #, fuzzy #~ msgid "&Copy" #~ msgstr "Salin Semua" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nama Molekul IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Berat Molekul (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Formula Kimia:" #~ msgid "Number of Atoms:" #~ msgstr "Bilangan Atom:" #~ msgid "Number of Bonds:" #~ msgstr "Bilangan Ikatan:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Saiz Lompat:" #, fuzzy #~ msgid "In." #~ msgstr "Dalam:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Cebisan..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Kefungsian DFT:" #~ msgid "Other..." #~ msgstr "Lain-lain..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nama Fail:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktur:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigasi" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigasi" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nama unsur" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Semua fail" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rombohedron" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekul" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Tiada molekul ditetapkan" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Hablur" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Tambah Hidrogen untuk pH..." #~ msgid "Atom Properties..." #~ msgstr "Sifat Atom..." #~ msgid "Bond Properties..." #~ msgstr "Sifat Ikatan..." #~ msgid "Angle Properties..." #~ msgstr "Sifat Sudut..." #~ msgid "Torsion Properties..." #~ msgstr "Sifat Kilasan..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Sifat Molekul..." #~ msgid "Create Surfaces..." #~ msgstr "Cipta Permukaan..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetri" #~ msgid "Insert Fragment..." #~ msgstr "Sisip Cebisan..." #~ msgid "Theory:" #~ msgstr "Teori:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Jarak (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Boleh Diputar" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Panjang %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Sudut %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Sudut %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Kilasan %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Kilasan %1" #~ msgid "Torsion" #~ msgstr "Kilasan" #~ msgid "Energy (kJ/mol)" #~ msgstr "Tenaga (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ya" #~ msgid "No" #~ msgstr "Tidak" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Sisip SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Sisip cebisan SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Sisip Hablur" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Sisip cebisan molekul untuk membina molekul yang lebih besar" #~ msgid "E&xtensions" #~ msgstr "Sa&mbungan" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimumkan Geometri" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Pengoptimuman Geometri" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Tambah Hidrogen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Henti" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Permukaan" #~ msgid "Color by Index" #~ msgstr "Warna mengikut Indeks" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Warna mengikut Indeks (merah, jingga, kuning, hijau, biru, ungu)." #~ msgid "Color by Partial Charge" #~ msgstr "Warna mengikut Cas Separa" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Warna mengikut cas separa atom (biru = positif, merah = negatif)." #~ msgid "Custom Color:" #~ msgstr "Warna Suai:" #~ msgid "Set custom colors for objects" #~ msgstr "Tetapkan warna suai untuk objek" #~ msgid "Color by Distance" #~ msgstr "Warna mengikut Jarak" #~ msgid "Color by distance from the first atom." #~ msgstr "Warna mengikut jarak dari atom pertama." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Warna mengikut Unsur (karbon = kelabu, oksigen = merah, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Warna mengikut sisa (jenis asid amino, kebolehtelapanair, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Corak SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Warna Sorot:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Warna mengikut Corak SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Sorot fitur tertentu yang sepadan dengan corak SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Engines" #~ msgstr "Enjin" #~ msgid "Axes" #~ msgstr "Paksi" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Terap paksi x, y, dan z pada asalan" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Terap primitif menggunakan Bola (atom) dan batang (ikatan)" #~ msgid "Dipole" #~ msgstr "Dwikutub" #~ msgid "Hydrogen Bond" #~ msgstr "Ikatan Hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Terap ikatan hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Pilih Warna Label Atom" #~ msgid "Select Bond Labels Color" #~ msgstr "Pilih Warna Label Ikatan" #~ msgid "Select Bond Labels Font" #~ msgstr "Pilih Fon Label Ikatan" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Teram atom sebagai tetrahedra, octahedra, dan lain-lain poligon" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Terap tulang belakang protien sebagai reben" #~ msgid "Ring" #~ msgstr "Gelang" #~ msgid "Renders rings with colored planes" #~ msgstr "Terap gelang dengan satah berwarna" #~ msgid "Simple Wireframe" #~ msgstr "Kerangka Wayar Ringkas" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Terap ikatan sebagai wayar (garis), sesuai untuk molekul bersaiz besar" #~ msgid "Van der Waals Spheres" #~ msgstr "Sfera Van der Waals" #~ msgid "Stick" #~ msgstr "Batang" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Ketumpatan elektron, permukaan-iso = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, permukaan-iso = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Terap ikatan sebagai wayar (garis), sesuai untuk bio-molekul bersaiz " #~ "sangat besar" #~ msgid "Trajectory files" #~ msgstr "Fail trajektori" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fail SEJARAH DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Buka Fail Trajektori" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Menambah sambungan .avi" #~ msgid "Animation..." #~ msgstr "Animasi..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Gagal membaca format fail dari fail %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "Baca fail trajektori %1 gagal." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Mesti nyatakan nama fail .avi yang sah" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Widget GL tidak diawalkan dengan betul semasa menyimpan video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Nama fail video tidak sah. Mesti sertakan laluan direktori penuh" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nama fail video tidak sah. Mesti sertakan nama dan laluan direktori " #~ "penuh, berakhir dengan .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Tidak dapat tentukan format dari nama fail: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animasikan trajektori, tindakbalas, dan getaran." #~ msgid "Cartesian Editor" #~ msgstr "Penyunting Cartes" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Tiada sel unit ditakrif untuk molekul -- tidak dapat guna koordinat " #~ "pecahan." #~ msgid "Cartesian Editor..." #~ msgstr "Penyunting Cartes..." #~ msgid "Cartesian editor" #~ msgstr "Penyunting Cartes" #~ msgid "Number of atoms: %1" #~ msgstr "Bilangan atom: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Bilangan ikatan boleh putar: %1" #~ msgid "Add constraint" #~ msgstr "Tambah kekangan" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya satu atom untuk " #~ "menambah kekangan ikatan" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya dua atom untuk menambah " #~ "kekangan ikatan" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya tiga atom untuk " #~ "menambah kekangan sudut" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya empat atom untuk " #~ "menambah kekangan kilas" #~ msgid "&Crystallography" #~ msgstr "&Kristalografi" #~ msgid "&Reduce" #~ msgstr "&Kurangkan" #~ msgid "&Length Unit" #~ msgstr "Unit &Panjang" #~ msgid "&Angle Unit" #~ msgstr "Unit &Sudut" #~ msgid "&Coordinate Display" #~ msgstr "Paparan K&oordinat" #~ msgid "Coordinate &Preservation" #~ msgstr "Pengekalan Koor&dinat" #~ msgid "&Matrix Display" #~ msgstr "Paparan &Matriks" #~ msgid "Hide &Editors" #~ msgstr "Sembunyi P&enyunting" #~ msgid "Show &Editors" #~ msgstr "Papar P&enyunting" #~ msgid "Hide &Property Display" #~ msgstr "Sembunyi Paparan S&ifat" #~ msgid "Show &Property Display" #~ msgstr "Papar Paparan S&ifat" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Jenis Kekisi: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Kumpulan Ruang: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volum sel unit: %L1%2" #~ msgid "Undefined" #~ msgstr "Tidak Ditakrif" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinik" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinik" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombus" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragon" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Heksagon" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kiub" #~ msgid "Paste Crystal" #~ msgstr "Hablur Tampal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "pengurangan-Niggli gagal. Kekisi struktur input yang mengelirukan " #~ "algoritma pengurang-Niggli. Cuba hasilkan usikan kecil (anggaran 2 tetib " #~ "leboh kecil magnitud berbanding toleransi kepada kekisi input dan cuba " #~ "lagi." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gagal kurangkan sel selepasa 1000 iterasi algortima pengurangan. " #~ "Dihentikan." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Putar Ke &Orientasi Piawai" #~ msgid "&Slab..." #~ msgstr "&Papak..." #~ msgid "Perceive Space&group..." #~ msgstr "Rasai Kumpulan &Ruang..." #~ msgid "Set &Spacegroup..." #~ msgstr "Tetapkan K&umpulan Ruang..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Isi Sel Unit" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Isi sel unit menggunakan kumpulan ruang semasa." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "S&imetrikan Hablur" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Kurangkan Sel (&Primitif)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Pikometer" #~ msgid "&Degree" #~ msgstr "&Darjah" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Papar koordinat &cartes" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Kekalkan" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Kekalkan Koordinat &Pecahan Semasa Pengubahsuaian Sel" #~ msgid "Display &cartesian matrix" #~ msgstr "Papar matriks &cartes" #~ msgid "Display &fractional matrix" #~ msgstr "Papar matrik pe&cahan" #~ msgid "Display as &column vectors" #~ msgstr "Papar vektor &lajur" #~ msgid "&Crystal View Options..." #~ msgstr "Pilihan Paparan &Hablur..." #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Tiada kumpulan ruang yang ditetapkan untuk dokumen ini.\n" #~ "\n" #~ "Anda hendak tetapkan kumpulan ruang sekarang?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Kumpulan ruang P1 dikesan -- tidak dapat simetrikan ke kumpulan ruang " #~ "ini.\n" #~ "\n" #~ "Anda hendak cuba lagi dengan toleransi yang berbeza?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Lilit Atom Ke Sel" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Kurangkan ke Sel Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Pilih toleransi dalam unit cartes semasa:" #~ msgid "Crystallography" #~ msgstr "Kristalografi" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Bina dan analisis struktur berkala." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Input tidak diformat sebagai salah\n" #~ "satu daripada formata tersokong berikut:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Format VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Komposisi Teruk" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Medan identiti mesti mengandungi jumlah ruang masukan bebas had yang sama " #~ "sebagai baris 6 POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Koordinat Cartes" #~ msgid "Fractional Coordinates" #~ msgstr "Koordinat Pecahan" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrik Sel (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Tetapkan Matriks Sel Unit" #~ msgid "Set Unit Cell Params" #~ msgstr "Tetapkan Param Sel Unit" #~ msgid "Working..." #~ msgstr "Bekerja..." #~ msgid "Build" #~ msgstr "Binaan" #~ msgid "Cut Slab From Crystal" #~ msgstr "Potong Papak Dari Hablur" #~ msgid "No GLWidget?" #~ msgstr "Tiada GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Sila pilih satu atau lebih atom." #~ msgid "Trajectory..." #~ msgstr "Trajektori..." #~ msgid "Open chemical file format" #~ msgstr "Buka format fail kimia" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fail kimia (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Buka fail parameter" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fail kimia (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajektori" #~ msgid "Import trajectory files" #~ msgstr "Import fail trejektori" #~ msgid "Calculate Energy" #~ msgstr "Kira Tenaga" #~ msgid "Conformer Search..." #~ msgstr "Gelintar Konformer..." #~ msgid "Constraints..." #~ msgstr "Kekangan..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Tidak dapat tetapkan medan daya terpilih semasa untuk molekul ini. " #~ "Menukar ke UFF." #~ msgid "Geometric Optimization" #~ msgstr "Pengoptimuman Geometri" #~ msgid "Systematic Rotor Search" #~ msgstr "Gelintar Rotor Sistematik" #~ msgid "Random Rotor Search" #~ msgstr "Gelintar Rotor Rawak" #~ msgid "Weighted Rotor Search" #~ msgstr "Gelintar Rotor Berpemberat" #~ msgid "Genetic Algorithm Search" #~ msgstr "Gelintar Algoritma Genetik" #~ msgid "ForceField" #~ msgstr "Medan Daya" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimumkan molekul dan jana konformer menggunakan medan daya mekanik " #~ "molekul" #~ msgid "&Vector Graphics..." #~ msgstr "Grafik &Vektor..." #~ msgid "Common vector image formats" #~ msgstr "Format imej vektor umum" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Grafik Vektor dieksport" #~ msgid "Change H to Methyl" #~ msgstr "Ubah H kepada Metil" #~ msgid "H to Methyl" #~ msgstr "H kepada Metil" #~ msgid "H2Methyl" #~ msgstr "HKeMetil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Ubah hidrogen kepada kumpulan metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Tambah atau buang hidrogen" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Sisip rantaian DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Sisip jujukan oligopeptid" #~ msgid "Invert Chirality" #~ msgstr "Kekiralan Sonsang" #~ msgid "InvertChiral" #~ msgstr "Kekiralan Songsang" #~ msgid "Invert chiral centers" #~ msgstr "Pusat kekiralan songsang" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "tidak diketahui" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momen Dwipolar Anggaran (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Papar sifat molekul piawai" #~ msgid "Fetch by chemical name..." #~ msgstr "Dapatkan mengikut nama kimia..." #~ msgid "Fetch from URL..." #~ msgstr "Peroleh dari URL..." #~ msgid "PDB Entry" #~ msgstr "Masukan PDB" #~ msgid "PDB entry to download." #~ msgstr "Masukan PDB untuk dimuat turun." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekul untuk dimuat turun." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Molekul yang dinyatakan tidak dimuatkan: %1" #~ msgid "Network Fetch" #~ msgstr "Rangkaian Diperoleh" #~ msgid "Fetch molecule files over the network." #~ msgstr "Peroleh fail molekul melalui rangkaian." #~ msgid "OrcaExtension Warning" #~ msgstr "Amaran Sambungan Orca" #~ msgid "OrcaExtension" #~ msgstr "Sambungan Orca" #~ msgid " No vibration data found!" #~ msgstr " Tiada data getaran ditemui!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Tiada data getaran ditemui atau molekul berubah diluar Pemalam Orca!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Data sesaran terpilih tidak muat pada molekul yang sebenar!" #~ msgid "extended Geometry File" #~ msgstr "Fail Geometri lanjutan" #~ msgid "Read Orca Outputfile" #~ msgstr "Baca Fail Output Orca" #~ msgid "no file found" #~ msgstr "tiada fail ditemui" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Ada masalah berlaku dalam struktur fail" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Ada masalah berlaku dalam struktur fail - sel unit" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Ada masalah berlaku dalam output IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Ada masalah berlaku dalam output raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Ada masalah berlaku dalam output tenaga orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Tiada geometri ditemui dalam fail!" #~ msgid "Could not read file!" #~ msgstr "Tidak dapat baca fail!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analisis Output Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Contoh Ujian Orca" #~ msgid "Show Preview" #~ msgstr "Papar Pratonton" #~ msgid "Hide Preview" #~ msgstr "Sembunyi Pratonton" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Simpan imej terterap Sinar-POV" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fail imej (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "Sinar-POV..." #~ msgid "No valid filename was supplied." #~ msgstr "Tiada nama fail dibekal." #~ msgid "Does not compute." #~ msgstr "Tidak dikira." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Anda dipinta untuk penerapan langsung menggunakan Sinar-POV dan jangan " #~ "kekalkan fail Sinar-POV. Ia akan menyebabkan tiada output disimpan. Anda " #~ "pasti hendakkannya?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Tidak dapat tulis ke fail %1. Anda mempunyai keizinan untuk tulis ke " #~ "lokasi tersebut?" #~ msgid "POV-Ray failed to start." #~ msgstr "Sinar-POV gagal dimulakan." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Sinar-POV gagal dimulakan. Mungkin laluan ke boleh laku tidak ditetapkan " #~ "dengan baik." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Cipta fail Sinar-POV dan terap ia menggunakan progra Sinar-POV berbaris " #~ "perintah." #~ msgid "Conformer Properties..." #~ msgstr "Sifat Konformer..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "Dok Terminal python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal penskripan python interaktif" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonotn, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton dek input Abinit?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Dek_Input_Abinit" #~ msgid "Abinit Running." #~ msgstr "Abinit Berjalan." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit sudah berjalan. Sila tunggu sehingga pengiraan terdahulu selesai." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Tidak Dipasang." #~ msgid "The abinit executable cannot be found." #~ msgstr "Boleh laku abinit tidak ditemui." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudo (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit tidak dimulakan. Mungkin ia tidak dipasang dengan baik." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit tidak dijalankan dengab baik. Mungkin ia tidak dipasang dengan " #~ "baik." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Amaran Penjana Fail Input Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input Dalton?" #~ msgid "QM Matches" #~ msgstr "Padanan QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Pemilihan EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Pemilihan QM..." #~ msgid "You must make a selection!" #~ msgstr "Anda mesti buat pemilihan!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Penukaran SMILES Tidak Tersedia" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Penukaran Format SMILES Tidak Tersedia!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Cipta fail input untuk pakej kimia kuantum GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Tetapan Lanjutan Berubah" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Tetapan lanjutan telah berubah.\n" #~ "Singkirkan?" #~ msgid "Advanced Settings Reset" #~ msgstr "Tetap Semula Tetapan Lanjutan" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda pasti hendak menetap semula tetapan lanjutan?\n" #~ "Semua perubahan akan hilang!" #~ msgid "Basic Settings Reset" #~ msgstr "Tetap Semula Tetapan Asas" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda pasti hendak menetap semula tetapan asas?\n" #~ "Semua perubahan akan hilang!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Dek Input GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Gaussian" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskinikan teks pratonton, akan hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton dek input Gaussian?" #~ msgid "Gaussian Input Deck" #~ msgstr "Dek Input Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Berjalan." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian sudah dijalankan. Tunggu sehingga pengiraan terdahulu selesai." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Tidak Dipasang." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Boleh laku G03 tidak ditemui." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 tidak dimulakan. Mungkin ia tidak dipasang dengan betul." #~ msgid "Running Gaussian calculation..." #~ msgstr "Menjalankan pengiraan Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 Mengalami Kerosakan." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian tidak dijalankan dengan betul. Mungkin ia tidak dipasang dengan " #~ "betul." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Dek Input Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Amaran Input MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Dek Input MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Dijalankan." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC sudah berjalan. Tunggu sehingga pengiraan terdahulu selesai." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Tidak Dipasang." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Boleh laku MOPAC tidak ditemui." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC gagal dimulakan." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC tidak bermula. Mungkin ia tidak dipasang dengan baik." #~ msgid "Running MOPAC calculation..." #~ msgstr "Menjalankan pengiraan MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Mengalami Kerosakan." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC tidak berjalan dengan baik. Mungkin ia tidak dipasang dengan baik." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan " #~ "dibuat dalam anak tetingkap pratonton dek input NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Dek Input NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, akan hilang semua perubahan dibuat " #~ "dalam anak tetingkap pratonton dek input Psi4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Dek Input Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan " #~ "dibuat dalam anak tetingkap pratonton dek input Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Dek Input QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Dek Input TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Pilih SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Tambah Pemilihan Bernama..." #~ msgid "SMARTS Selection" #~ msgstr "Pemilihan SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Corak SMARTS untuk dipilih" #~ msgid "There is no current selection." #~ msgstr "Tiada pemilihan semasa" #~ msgid "Add Named Selection" #~ msgstr "Tambah Pemilihan Bernama" #~ msgid "Name cannot be empty." #~ msgstr "Nama tidak boleh kosong." #~ msgid "There is already a selection with this name." #~ msgstr "Sudah ada pemilihan dengan nama ini." #~ msgid "Selections" #~ msgstr "Pemilihan" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Pilih atom, ikatan, baki..." #~ msgid "GLSL Shaders..." #~ msgstr "Pelorek GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Buka fail sumber pelorek puncak" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fail pelorek puncak (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Buka fail sumber pelorek cebisan" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fail pelorek cebisan (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Buka fail parameter pelorek" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fail parameter pelorek (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Pelorek GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Muat dan guna pelorek GLSL OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Keamatan (unit arb.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Ketumpatan Keadaan (keadaan/sel)" #~ msgid "Density of States (states/atom)" #~ msgstr "Ketumpatan Keadaan (keadaan/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Ketumpatan Keadaan (keadaan/elektron valens)" #~ msgid "Transmittance (%)" #~ msgstr "Kehantaran (%)" #~ msgid "Absorbance (%)" #~ msgstr "Keserapan (%)" #~ msgid "No intensities" #~ msgstr "Tiada keamatan" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Data getaran dalam molekul yang anda muatkan tidak mempunyai data " #~ "keamatan. Keamatan telah ditetapkan kepada nilai arbitari untuk " #~ "pengvisualan." #~ msgid "Activity" #~ msgstr "Aktiviti" #~ msgid "X Axis" #~ msgstr "Paksi X" #~ msgid "Y Axis" #~ msgstr "Paksi Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Tetapan Spektrum Ter&infra Merah" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Tetapan Spektrum &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Tetapan &UV" #~ msgid "&CD Settings" #~ msgstr "Tetapan &CD" #~ msgid "&Raman Settings" #~ msgstr "Tetapan &Raman" #~ msgid "No data" #~ msgstr "Tiada data" #~ msgid "Dark" #~ msgstr "Gelap" #~ msgid "Publication" #~ msgstr "Penerbitan" #~ msgid "Handdrawn" #~ msgstr "Lukis Tangan" #~ msgid "New Scheme" #~ msgstr "Skema Baru" #~ msgid "Confirm Scheme Removal" #~ msgstr "Sahkan Pembuangan Skema" #~ msgid "Really remove current scheme?" #~ msgstr "Pasti hendak buang skema semasa?" #~ msgid "Change Scheme Name" #~ msgstr "Ubah Nama Skema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Masukkan nama baru bagi skema semasa:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Nilai Dipisah Tab (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Nilai Dipisah Tab" #~ msgid "Comma Separated Values" #~ msgstr "Nilai Dipisah Koma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spektrum Diimport" #~ msgid "Unknown extension: %1" #~ msgstr "Sambungan tidak diketahui: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Data IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Data IR Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Data UV Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Data CD Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Format Data" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Muat Data Spektrum" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "CD Turbomole tidak diformat dengan baik: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Grafik Rangkaian Mudahalih" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Format Fail Imej Bertag" #~ msgid "Windows Bitmap" #~ msgstr "Peta Bit Wimdows" #~ msgid "Portable Pixmap" #~ msgstr "Peta Pix Mudahalih" #~ msgid "X11 Bitmap" #~ msgstr "Peta Bit X11" #~ msgid "X11 Pixmap" #~ msgstr "Peta Pix X11" #~ msgid "Save Spectra Image" #~ msgstr "Simpan Imej Spektrum" #~ msgid "Image successfully written to %1" #~ msgstr "Imej berjaya ditulis ke %1" #~ msgid "&Advanced <<" #~ msgstr "&Lanjut <<" #~ msgid "&Advanced >>" #~ msgstr "&Lanjut >>" #~ msgid "&Spectra..." #~ msgstr "&Spektrum..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualkan data spektrum dari pengiraan kimia kuantum" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analisis Getaran" #~ msgid "No vibrational displacements exist." #~ msgstr "Tiada sesaran getaran wujud." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualkan mod getaran dari pengiraan kimia kuantum" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Mengisih %1 getaran melalui frekuensi..." #~ msgid "Super Cell Builder..." #~ msgstr "Pembina Sel Super..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dokumen ini kini merupakan molekul terasing. Anda perlu cipta satu unit " #~ "sel." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Bina dan papar sel super kristalografi" #~ msgid "Molecular Orbitals..." #~ msgstr "Petala Molekul..." #~ msgid "Orbitals" #~ msgstr "Petala" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Tiada apa" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Ketumpatan Elektron" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Ralat - jenis tidak ditakrif" #~ msgid "Calculating VdW Cube" #~ msgstr "Mengira Kiub VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Mengira MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Permukaan keupayaan elektrostatik belum lagi disokong." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Kira orbital molekul dan lain-lain permukaan" #~ msgid "&Nanotube Builder..." #~ msgstr "Pembina Tiub &Nano..." #~ msgid "Nanotube Builder" #~ msgstr "Pembina Tiub Nano" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Spesifikasi Tiub Nano Tidak Sah" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Tiub nano yang dipinta tidak dapat dibina kerana sebab berikut:\n" #~ "\n" #~ "Sama ada n atau m mesti lebih besar daripada 1." #~ msgid "Insert Nanotube" #~ msgstr "Sisip Tiub Nano" #~ msgid "SWCNT Builder" #~ msgstr "Pembina SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Bina tiub nano karbon dinding tunggal." #~ msgid "Building..." #~ msgstr "Membina..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "Widget GL tidak diawalkan dengan baik untuk menghasilkan video" #~ msgid "GL widget has no molecule" #~ msgstr "Widget GL tidak mempunyai molekul" #~ msgid "Building video " #~ msgstr "Membina video " #~ msgid "Could not run mencoder." #~ msgstr "Tidak dapat jalankan mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Tetapkan Nisbah Bidang" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Adegan Avogadro semasa adalah sebesar %1x%2, maka ia mempunyai nisbah " #~ "bidang %3.\n" #~ "Anda boleh kekalkan nilai ini, contohnya jika anda berniat menggunakan " #~ "POV-Ray\n" #~ "untuk menghasilkan imej bersaiz %4x1000 piksel, atau anda boleh masukkan " #~ "nilai positif\n" #~ "yang lain, contohnya 2 jika anda berniat menggunakan POV-Ray untuk " #~ "hasilkan imej petak,\n" #~ "bersaiz 1000x1000 piksel." #~ msgid "Connect" #~ msgstr "Sambung" #~ msgid "Disconnect" #~ msgstr "Putuskan" #~ msgid "&WiiTrack" #~ msgstr "Jejak &Wii" #~ msgid "Wii Tracking" #~ msgstr "Penjejakan Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Jejak gerakan menggunakan Wii remote" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Konteks OpenGL tidak sah.\n" #~ "Samada ada sesuatu yang rosak semasa pemasangan OpenGL anda (bolehkah " #~ "anda menjalankan mana-mana aplikasi OpenGL?), atau anda temui pepijat." #~ msgid "Debug Information" #~ msgstr "Maklumat Nyah Pepijat" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Saiz Pandangan: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atom: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Jenis fail '%1' tidak disokong untuk pembacaan." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Jenis fail bagi fail '%1' tidak disokong untuk pembacaan." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "Membaca molekul dengan indeks %1 dari fail '%2' mengalami kegagalan." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Ganti Molekul: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Jenis fail '%1' tidak disokong untuk penulisan." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Jenis fail bagi fail '%1' tidak disokong untuk penulisan." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Tidak dapat buka fail '%1' untuk pembacaan." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "Menggantikan molekul dengan indeks %1 dalam fail '%2' mengalami kegagalan." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Fail %1 tidak dapat dibuka untuk pembacaan." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Fail %1 tidak dapat dibuka untuk penulisan." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Menyimpan fail molekul mengalami kegagalan - tidak dapat namakan semula " #~ "fail asal." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Menyimpan fail molekul mengalami kegagalan - tidak dapat namakan semula " #~ "fail baru." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Menyimpan fail molekul mengalami kegagalan - tidak dapat namakan semula " #~ "fail lama." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Menulis molekul ke fail '%1' mengalami kegagalan. Fungsi OpenBabel gagal." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Fail %1 tidak dapat dibuka untuk penulisan." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Menulis konformer ke fail '%1' mengalami kegagalan." #~ msgid "Molecule %1" #~ msgstr "Molekul %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Enjin Python Tidak Diketahui" #~ msgid "N/A" #~ msgstr "T/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: memeriksa " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - skrip tiada kelas 'Engine' ditakrifkan" #~ msgid " - no module" #~ msgstr " - modul tiada" #~ msgid "Unknown Python Extension" #~ msgstr "Sambungan Python Tidak Diketahui" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: memeriksa " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - skrip tiada kelas 'Extension' ditakrifkan" #~ msgid "Unknown Python Tool" #~ msgstr "Alat Python Tidak Diketahui" #~ msgid "PythonTool: checking " #~ msgstr "Alat Pyhton: memeriksa " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - skrip tiada kelas 'Tool' ditakrifkan" #~ msgid "Conformer %1" #~ msgstr "Konformer %1" #~ msgid "Tools" #~ msgstr "Alatan" #~ msgid "Align:" #~ msgstr "Jajar:" #~ msgid "Everything" #~ msgstr "Kesemuanya" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Alat Pengoptimuman Automatik\n" #~ "\n" #~ "Fungsi Navigasi bila mengklik dalam ruang kosong.\n" #~ "Butang Kiri Tetikus: \tPutar Ruang\n" #~ "Butang Tengah Tetikus: Zum Ruang\n" #~ "Butang Kanan Tetikus: \tGerak Ruang\n" #~ "Dwi-Klik: \t Tetap Semula Pandangan\n" #~ "\n" #~ "Bila berjalan:\n" #~ "Butang Kiri Tetikus: \tKlik dan seret atom untuk gerakkannya." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Tidak dapat sediakan medan daya..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Bil Kekangan: %1" #~ msgid "Steps per Update:" #~ msgstr "Langah per Kemaskini:" #~ msgid "Algorithm:" #~ msgstr "Algoritma:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamik Molekul (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamik Molekul (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Atom tetap boleh dialih" #~ msgid "Ignored atoms are movable" #~ msgstr "Atom diabaikan boleh dialih" #~ msgid "AutoOpt Molecule" #~ msgstr "Molekul autoOpt" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Pengoptimuman automatik bagi geometri molekul" #~ msgid "AutoOptimization Settings" #~ msgstr "Tetapan Pengoptimuman Automatik" #~ msgid "Auto Rotation Tool" #~ msgstr "Alat Putaran Automatik" #~ msgid "x rotation:" #~ msgstr "putaran x:" #~ msgid "x rotation" #~ msgstr "putaran x" #~ msgid "y rotation:" #~ msgstr "putaran y:" #~ msgid "y rotation" #~ msgstr "putaran y" #~ msgid "z rotation:" #~ msgstr "putaran z:" #~ msgid "z rotation" #~ msgstr "putaran z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Putaran automatik molekul" #~ msgid "AutoRotate Settings" #~ msgstr "Tetapan Putar Sendiri" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Panjang Ikatan: %L1" #~ msgid " Show Angles" #~ msgstr " Papar Sudut" #~ msgid "Snap-to Threshold: " #~ msgstr "Lekat-ke Ambang: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipulasi Di Pusat Ikatan" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulasi bagi panjang, sudut, dan kilasan" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Tetapan Manipulasi Di Pusat Ikatan" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Jarak (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Jarak (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Sudut Dwihedron: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Jarak:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Ukur panjang, sudut, dan dwihedron ikatan" #~ msgid "Draw Bond" #~ msgstr "Lukis Ikatan" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Lukis dan sunting atom dan ikatan" #~ msgid "Draw Settings" #~ msgstr "Tetapan Lukis" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Terjemah, putar, dan laras atom dan cebisan" #~ msgid "Manipulate Settings" #~ msgstr "Tetapan Manipulasi" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Terjemah, putar, dan zum disekitar pandangan semasa" #~ msgid "Navigate Settings" #~ msgstr "Tetapan Navigasi" #~ msgid "Selection Mode:" #~ msgstr "Mod Pemilihan:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Ikatan" #~ msgid "Residue" #~ msgstr "Baki" #~ msgid "Add Center of Atoms" #~ msgstr "Tambah Pusat Atom" #~ msgid "Change color of the atom" #~ msgstr "Ubah warna atom" #~ msgid "Change label of the atom" #~ msgstr "Ubah label atom" #~ msgid "Change label of the bond" #~ msgstr "Ubah label ikatan" #~ msgid "Change radius of the atom" #~ msgstr "Ubah jejari atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Jejari Baru, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Pilih atom, baki, dan molekul" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Panjang Ikatan" #~ msgid "Dihedral Angle" #~ msgstr "Sudut Dwihedron" #~ msgid "Z Matrix Editor..." #~ msgstr "Penyunting Matriks Z..." #~ msgid "Z-Matrix" #~ msgstr "Matriks-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Cipta/sunting matriks-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Tetapan Matriks-Z" #~ msgid "Color residues by:" #~ msgstr "Baki warna mengikut:" #~ msgid "Hydrophobicity" #~ msgstr "Kehidrofobiaan" #~ msgid "Axes:" #~ msgstr "Paksi:" #~ msgid "Cartesian Axes" #~ msgstr "Paksi Cartes" #~ msgid "Orthogonal Axes" #~ msgstr "Paksi Ortogon" #~ msgid "Axis 1:" #~ msgstr "Paksi 1:" #~ msgid "Axis 2:" #~ msgstr "Paksi 2:" #~ msgid "Axis 3:" #~ msgstr "Paksi 3:" #~ msgid "Origin:" #~ msgstr "Asalan:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Kekalkan norma vektor" #~ msgid "Atom Radius:" #~ msgstr "Jejari Atom:" #~ msgid "Bond Radius:" #~ msgstr "Jejari Ikatan:" #~ msgid "Shape" #~ msgstr "Bentuk" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Gelung" #~ msgid "Dipole:" #~ msgstr "Dwikutub:" #~ msgid "Custom Vector" #~ msgstr "Vektor Suai" #~ msgid "Custom:" #~ msgstr "Suai:" #~ msgid "Cut-off radius:" #~ msgstr "Jejari terpenggal:" #~ msgid "Cut-off angle:" #~ msgstr "Sudut terpenggal:" #~ msgid "Rendering Engine:" #~ msgstr "Enjin Penerapan:" #~ msgid "TextRenderer" #~ msgstr "Penerap Teks" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Teks:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbol & Nombor dalam Kumpulan" #~ msgid "Symbol & Atom number" #~ msgstr "Simbol & Nombor Atom" #~ msgid "Partial charge" #~ msgstr "Cas separa" #~ msgid "Residue number" #~ msgstr "Nombor baki" #~ msgid "Custom data" #~ msgstr "Data suai" #~ msgid "Change Font" #~ msgstr "Ubah Fon" #~ msgid "x : " #~ msgstr "x: " #~ msgid "y : " #~ msgstr "y: " #~ msgid "z : " #~ msgstr "z: " #~ msgid "Label Shift:" #~ msgstr "Shift Label:" #~ msgid "Bond length" #~ msgstr "Panjang ikatan" #~ msgid "Bond number" #~ msgstr "Nombor Ikatan" #~ msgid "Bond order" #~ msgstr "Tertib ikatan" #~ msgid "Lines" #~ msgstr "Baris" #~ msgid "Radius:" #~ msgstr "Jejari:" #~ msgid "Include Nitrogens" #~ msgstr "Sertakan Nitrogen" #~ msgid "VdW Opacity:" #~ msgstr "Kelegapan VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Terap:" #~ msgid "Fill" #~ msgstr "Isian" #~ msgid "Points" #~ msgstr "Titik" #~ msgid "Draw Box:" #~ msgstr "Kotak Lukis:" #~ msgid "Mapped Colors" #~ msgstr "Warna Terpeta" #~ msgid "Positive" #~ msgstr "Positif" #~ msgid "Negative" #~ msgstr "Negatif" #~ msgid "Show Atoms" #~ msgstr "Tunjukkan Atom" #~ msgid "Animate Trajectory" #~ msgstr "Animasikan Trajektori" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Gelung" #~ msgid "Save as .avi..." #~ msgstr "Simpan sebagai .avi..." #~ msgid "Angstroms" #~ msgstr "Angstrom" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "Fractional" #~ msgstr "Pecahan" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, koordinat sahaja" #~ msgid "GAMESS Input #2" #~ msgstr "Input GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Input Priroda" #~ msgid "Apply Changes" #~ msgstr "Laksana Perubahan" #~ msgid "Cut All" #~ msgstr "Potong Semua" #~ msgid "Paste to the End" #~ msgstr "Tampal ke Penghujung" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Tampal atau sunting " #~ "koordinat atom disini. Anda boleh tampal hampir apa jua cebisan teks, " #~ "yang mengandungi koordinat

" #~ msgid "(None)" #~ msgstr "(Tiada)" #~ msgid "Sort by " #~ msgstr "Isi mengikut " #~ msgid "Number of atoms:" #~ msgstr "Bilangan atom:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Bilangan ikatan boleh putar:" #~ msgid "Ignore Atom" #~ msgstr "Abai Atom" #~ msgid "Fix Atom" #~ msgstr "Baiki Atom" #~ msgid "Fix Atom X" #~ msgstr "Baiki Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Baiki Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Baiki Atom Z" #~ msgid "Torsion angle" #~ msgstr "Sudut kilasan" #~ msgid "Save" #~ msgstr "Simpan" #~ msgid "Load" #~ msgstr "Muat" #~ msgid "Atomic &identites:" #~ msgstr "&Identiti Atom" #~ msgid "Surface Slab Builder" #~ msgstr "Pembina Papak Permukaan" #~ msgid "Plane:" #~ msgstr "Satah:" #~ msgid "&Miller Indices:" #~ msgstr "Indeks &Miller:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Amaran: Guna Indeks Miller bukan-sifar" #~ msgid "Width (x)" #~ msgstr "Lebar (x)" #~ msgid "Width (y)" #~ msgstr "Lebar (y)" #~ msgid "Height (z)" #~ msgstr "Tinggi (z)" #~ msgid "length" #~ msgstr "panjang" #~ msgid "cell repeats" #~ msgstr "ulang sel" #~ msgid "&Translate " #~ msgstr "&Terjemah " #~ msgid "by arbitrary vector" #~ msgstr "mengikut vektor arbitari" #~ msgid "selected atom to unit cell center" #~ msgstr "atom terpilih ke pusat sel unit" #~ msgid "Translation vector:" #~ msgstr "Vektor terjemahan:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Unit &vektor:" #~ msgid "Cartesian" #~ msgstr "Cartes" #~ msgid "&Translate" #~ msgstr "&Terjemah" #~ msgid "Crystal View Options" #~ msgstr "Pilihan Pandangan Hablur" #~ msgid "Unit Cell Repeats:" #~ msgstr "Ulang Sel Unit:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Lukis Sel Unit?" #~ msgid "One" #~ msgstr "Satu" #~ msgid "All" #~ msgstr "Semua" #~ msgid "Color..." #~ msgstr "Warna..." #~ msgid "View Along:" #~ msgstr "Papar Mengikut:" #~ msgid "Default View" #~ msgstr "Paparan Lalai" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Indeks Miller" #~ msgid "File Import..." #~ msgstr "Fail Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Cuba mengamati ikatan?" #~ msgid "Setup Force Field" #~ msgstr "Persediaan Medan Daya" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Bilangan langkah" #~ msgid "Algorithm" #~ msgstr "Algoritma" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Heliks Alfa" #~ msgid "Beta Sheet" #~ msgstr "Lembaran Beta" #~ msgid "Pi Helix" #~ msgstr "Heliks Pi" #~ msgid "Phi:" #~ msgstr "Fi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Bilangan Baki:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Tenaga (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momen Dwikutub (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Lanjutan" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "POV-Ray Export" #~ msgstr "Eksport POV-Ray" #~ msgid "Select..." #~ msgstr "Pilih..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Guna antialias adegan penuh" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Tetapkan warna latar belakang kepada lutsinar" #~ msgid "Alpha transparency" #~ msgstr "Kelutsinaran alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Terap molekul secara langsung menggunakan POV-Ray baris perintah" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Kekalkan sumber POV-Ray selepas penerapan selesai" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Kekalkan sumber POV-Ray selepas penerapan" #~ msgid "Path:" #~ msgstr "Laluan:" #~ msgid "Abinit Input" #~ msgstr "Input Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartes (Angstrom)" #~ msgid "Reduced" #~ msgstr "Terkurang" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Keratan Gelombang Satah (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Toleransi terhadap daya(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Pengembangan kekisi maksimum:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "Anjak titik-k:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Bilangan jalur:" #~ msgid "# k-point shifts:" #~ msgstr "# anjak titik-k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Keratan PW grid dubel (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Skema kerjaan:" #~ msgid "Wave Function norm" #~ msgstr "Norma Fungsi Gelombang" #~ msgid "Total Potential" #~ msgstr "Jumlah Keupayaan" #~ msgid "Relative Force" #~ msgstr "Daya Relatif" #~ msgid "1 - semiconducting" #~ msgstr "1 - bersemikonduktor" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Kabusisi Sejuk (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Kabusisi Gaussian" #~ msgid "Smearing width (Ha):" #~ msgstr "Lebar kabusisi (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - tiada ion bergerak " #~ msgid "1 - viscous damping" #~ msgstr "1 - peredaman ganas" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS dengan tenaga" #~ msgid "# Geometrical time steps:" #~ msgstr "# Langkah masa geometri" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Pelicinan Tenaga Kinetik (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Kira..." #~ msgid "Dalton Input" #~ msgstr "Input Dalton" #~ msgid "Basics" #~ msgstr "Asas" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Tambah apa yang anda taip di dalam baris taju fail input untuk tujuan\n" #~ "maklumat anda sendiri." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Gaya-Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Konsisten pengutuban Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Konsisten kolerasi Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Fungsi kolerasi teras" #~ msgid "Diffuse functions" #~ msgstr "Fungsi pembauran" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Terus" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Jalan dalam mod selari jika boleh. Ia hanya mungkin untuk fungsi\n" #~ "gelombang SCF dan pengiraan DFT. Dalton hanya menyokong MPI\n" #~ "dalam keluaran semasa dan mesti dikompil dan dipasang dengan betul.\n" #~ "Sebilangan nod ditetapkan menggunakan pilihan \"-N #' bila melakukan " #~ "skrip \"dalton\"." #~ msgid "Parallel" #~ msgstr "Selari" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Spesifikasi Grid" #~ msgid "Partitioning Scheme:" #~ msgstr "Skema Penyekatan:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (asal)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kualiti Grid:" #~ msgid "coarse" #~ msgstr "kasar" #~ msgid "normal" #~ msgstr "biasa" #~ msgid "fine" #~ msgstr "halus" #~ msgid "ultrafine" #~ msgstr "sangat halus" #~ msgid "Radial Scheme:" #~ msgstr "Skemia Jejari:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Papar semua kefungsian" #~ msgid "Property:" #~ msgstr "Sifat:" #~ msgid "Polarizability" #~ msgstr "Kebolehkutuban" #~ msgid "Frequency Dependent" #~ msgstr "Kebergantungan Frekuensi" #~ msgid "No. excitations:" #~ msgstr "Tiada pengujaan:" #~ msgid "EFP Matches" #~ msgstr "Padanan EFP" #~ msgid "Group Label:" #~ msgstr "Label Kumpulan:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Persediaan &Lanjutan" #~ msgid "Hessian" #~ msgstr "Hesian" #~ msgid "Stat Point" #~ msgstr "Titik Statistik" #~ msgid "System" #~ msgstr "Sistem" #~ msgid "MO Guess" #~ msgstr "Tekaan MO" #~ msgid "Misc" #~ msgstr "Pelbagai" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Fungsi Pengutuban Atom Berat:" #~ msgid "Read" #~ msgstr "Baca" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Baurkan Shell-S pada Atom Berat" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Baur Shell-L pada Atom Berat" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valens Dwi Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valens Tripel Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valens SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valens Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Jenis ECP:" #~ msgid "Default" #~ msgstr "Lalai" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Fungsi Pengutuban Atom Berat:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Fungsi Pengutuban Atom:" #~ msgid "Polar:" #~ msgstr "Kutub:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iterasi SCF Maksimum:" #~ msgid "Gradient" #~ msgstr "Gradien" #~ msgid "Trudge" #~ msgstr "Susah Payah" #~ msgid "Saddle Point" #~ msgstr "Titik Tunggang" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Ekstrumum Gradien" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "mom. Peralihan Radiasi" #~ msgid "Spin Orbit" #~ msgstr "Orbit Putar" #~ msgid "Finite Electric Field" #~ msgstr "Medan Elektrik Terhingga" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Pengoptimuman Sejagat" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Pengoptimuman FMO" #~ msgid "Raman Intensities" #~ msgstr "Keamatan Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Tiada (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Jenis SCF:" #~ msgid "Localization Method:" #~ msgstr "Kaedah Penyetempatan" #~ msgid "Exec Type:" #~ msgstr "Jenis Boleh Laku:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Penentu Mak. Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Ruang Aktif Berbilang Penghunian Terhad" #~ msgid "CI Singles" #~ msgstr "Tunggal CI" #~ msgid "Full Second Order CI" #~ msgstr "CI Tertib Kedua Penuh" #~ msgid "General CI" #~ msgstr "CI Am" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC Terlinear" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC dengan Dubel" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC dengan Tunggal dan Dubel" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Jalan Biasa" #~ msgid "Check" #~ msgstr "Semak" #~ msgid "Debug" #~ msgstr "Nyahpepijat" #~ msgid "Molecule Charge:" #~ msgstr "Cas Molekul:" #~ msgid "Run Type:" #~ msgstr "Jenis Jalan:" #~ msgid "Use MP2" #~ msgstr "Guna MP2" #~ msgid "Use DFT" #~ msgstr "Guna DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# dari Pembolehubah Matriks-Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Tertib Paksi Prinsipal:" #~ msgid "Coordinate Type:" #~ msgstr "Jenis Koordinat:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Koord. cartes Unik" #~ msgid "Hilderbrant internals" #~ msgstr "Dalaman Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matriks-Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Guna Pengiraan Semasa Simetri" #~ msgid "Point Group:" #~ msgstr "Kumpulan Titik:" #~ msgid "Minutes" #~ msgstr "Minit" #~ msgid "Hours" #~ msgstr "Jam" #~ msgid "Days" #~ msgstr "Hari" #~ msgid "Weeks" #~ msgstr "Minggu" #~ msgid "Years" #~ msgstr "Tahun" #~ msgid "Millenia" #~ msgstr "Millenium" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBait" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBait" #~ msgid "Force Parallel Methods" #~ msgstr "Paksa Kaedah Selari" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Hasilkan fail \"Teras\" bila henti paksa" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Ingatan:" #~ msgid "Diagonalization Method:" #~ msgstr "Kaedah Pempepenjuruan:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Jenis Imbangan Muat Selari" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Gelung" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Nilai Berikutnya" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Guna Perwakilan Data Luaran untuk Mesej" #~ msgid "Initial Guess:" #~ msgstr "Tekaan Awal:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Dibaca ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Disimpan (DICTNRY)" #~ msgid "Skip" #~ msgstr "Langkau" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Putar Orbital Alfa dan Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Cetak Tekaan Awalan" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Antarmuka GAMESS untuk Kod Lain" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Paksa Jenis Jalan Semakan" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versi UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Larutkan dengan Air" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Jana Orbital Tabii UHF" #~ msgid "Direct SCF" #~ msgstr "SCF Langsung" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Hanya Kira Perubahan dalam Matriks Fock" #~ msgid "Slater exchange" #~ msgstr "Pertukaran Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Pertukaran Becker 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Kolerasi Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Kolerasi Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Pertukaran Slater + Kolerasi VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Pertukaran BECKE + Kolerasi VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Pertukaran BECKE + Kolerasi LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Pertukaran Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Pertukaran Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Kolerasi Progresif Satu-parameter" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Kolerasi Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Kolerasi OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Pertukaran BECKE + Kolerasi OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Pertukaran GILL + Kolerasi VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Pertukaran GILL + Kolerasi LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Pertukaran PBE + Kolerasi VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Pertukaran PBE + Kolerasi LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Pertukaran PBE + Kolerasi OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF dan Pertukaran BECKE + Kolerasi LYP" #~ msgid "Grid-Free" #~ msgstr "Bebas-Grid" #~ msgid "AO Integral Storage" #~ msgstr "Storan Kamiran AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Gandaan pada Setiap Nod" #~ msgid "Distributed Across All Nodes" #~ msgstr "Teragih Meliputi Semua Nod" #~ msgid "words" #~ msgstr "perkataan" #~ msgid "Compute MP2 Properties" #~ msgstr "Kira Sifat MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Pangkasan Pengekalan Kamiran:" #~ msgid "Use Localized Orbitals" #~ msgstr "Guna Orbital Setempat" #~ msgid "# of Core Electrons:" #~ msgstr "# dari Elektron Teras:" #~ msgid "Transformation Method" #~ msgstr "Kaedah Transformasi" #~ msgid "Two Phase Bin Sort" #~ msgstr "Isih Dua Fasa Bin" #~ msgid "Segmented Transformation" #~ msgstr "Trasnformasi Tersegmen" #~ msgid "Numeric" #~ msgstr "Numerik" #~ msgid "Double Differenced Hessian" #~ msgstr "Hesian Terbeza Dubel" #~ msgid "Print Internal Force Constants" #~ msgstr "Cetak Pemalar Daya Dalaman" #~ msgid "Displacement Size:" #~ msgstr "Saiz Sesaran:" #~ msgid "Purify Hessian" #~ msgstr "Hesian Tulen" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hesian Awalan" #~ msgid "Guess (+ define)" #~ msgstr "Tekaan (+ takrif)" #~ msgid "Read (from $HESS)" #~ msgstr "baca (dari $HESS)" #~ msgid "Update Step Size" #~ msgstr "Kemaskini Saiz Langkah" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Cetak Orb pada Setiap Iterasi" #~ msgid "Stationary Point" #~ msgstr "Titik Kekal" #~ msgid "Initial:" #~ msgstr "Awalan:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Pengotimuman Fungsi Rasional" #~ msgid "Quadratic Approximation" #~ msgstr "Penghampiran Kuadratik" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Pengoptimuman Kekangan" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Kira Semula Hesian Setiap:" #~ msgid "Follow Mode:" #~ msgstr "Mod Ikut:" #~ msgid "GAMESS-UK Input" #~ msgstr "Input GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Input GAMESS-UK dijana oleh Avogadro" #~ msgid "Transition State Search" #~ msgstr "Gelintar Keadaan Peralihan" #~ msgid "Basis:" #~ msgstr "Asas:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriks-Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Dalam mod terus, integral tidak disimpan dalam cakera, tetapi dikira " #~ "semula.\n" #~ "bila diperlukan. Dalam sistem modern dengan pemprosesan pantas dan " #~ "cakera\n" #~ "perlahan, terus adalah lebih pantas." #~ msgid "Run in direct mode:" #~ msgstr "Jalan dalam mod terus:" #~ msgid "Gaussian Input" #~ msgstr "Input Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Piawai" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Titik Semak:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriks-Z (padat)" #~ msgid "MOLPRO Input" #~ msgstr "Input MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versi Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Input MOPAC" #~ msgid "Quartet" #~ msgstr "Kuartet" #~ msgid "Quintet" #~ msgstr "Kuintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Input NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Input Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Input TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Tidak disekat" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "tidak" #~ msgid "yes" #~ msgstr "ya" #~ msgid "Dispersion:" #~ msgstr "Serakan:" #~ msgid "Load Shaders" #~ msgstr "Muat Pelorek" #~ msgid "Shader Name:" #~ msgstr "Nama Pelorek:" #~ msgid "Vertex Shader:" #~ msgstr "Pelorek Puncak:" #~ msgid "Fragment Shader:" #~ msgstr "Pelorek Cebisan:" #~ msgid "Assign Shader" #~ msgstr "Umpuk Pelorek" #~ msgid "Display Type:" #~ msgstr "Jenis Paparan:" #~ msgid "Font:" #~ msgstr "Fon:" #~ msgid "Change Font..." #~ msgstr "Ubah Fon..." #~ msgid "Foreground:" #~ msgstr "Latar Hadapan:" #~ msgid "New..." #~ msgstr "Baru..." #~ msgid "Rename..." #~ msgstr "Namakan Semula..." #~ msgid "&Schemes:" #~ msgstr "&Skema:" #~ msgid "&DPI:" #~ msgstr "&DPI..." #~ msgid "&Width:" #~ msgstr "&Lebar:" #~ msgid "&Height" #~ msgstr "&Tinggi" #~ msgid "cm" #~ msgstr "sm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Guna nilai teroptimum bagi saiz fon selain dari nilai dinyatakan-skema " #~ "(skrin pada saiz titik imej tidak diterjemah dengan baik!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Saiz F&on Laras-sendiri" #~ msgid "Spectra Tab" #~ msgstr "Tab Spekr=trum" #~ msgid "&Gaussian Width:" #~ msgstr "Lebar &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "Puncak &label" #~ msgid "Rotatory Strength type:" #~ msgstr "Jenis Kekuatan Putaran:" #~ msgid "Energy units:" #~ msgstr "Unit tenaga:" #~ msgid "Density units" #~ msgstr "Unit ketumpatan" #~ msgid "Fermi Energy: " #~ msgstr "Tenaga Fermi: " #~ msgid "States / Cell" #~ msgstr "Keadaan / Sel" #~ msgid "States / Atom" #~ msgstr "Keadaan / Atom" #~ msgid "States / Valence electron" #~ msgstr "Keadaan / Elektron Valens" #~ msgid "Fermi energy at zero" #~ msgstr "Tenaga Fermi pada sifar" #~ msgid "Scale integrated DOS" #~ msgstr "Skala tersepadu DOS" #~ msgid "Show integrated DOS" #~ msgstr "Papar DOS tersepadu" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unit Paksi &Y:" #~ msgid "Scaling Type:" #~ msgstr "Jenis Penskalaan:" #~ msgid "Relative" #~ msgstr "Relatif" #~ msgid "Laser Wavenumber:" #~ msgstr "Bilangan Gelombang Laser:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nukleus:" #~ msgid "Gaussian &Width:" #~ msgstr "&Lebar Gaussian:" #~ msgid "Reset &Plot Axes" #~ msgstr "Tetap Semula Paksi &Plot" #~ msgid "Label Peaks:" #~ msgstr "Puncak Label:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Getaran Molekul" #~ msgid "Filter: " #~ msgstr "Penapis: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "AKtivitI (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Papar Spektrum..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "getaran frekuensi lebih tinggi akan paparkan pergerakan lebih pantas" #~ msgid "Animation speed set by frequency" #~ msgstr "Kelajuan animasi ditetapkan mengikut frekuensi" #~ msgid "Display force &vectors" #~ msgstr "Papar &vektor paksa" #~ msgid "&Normalize displacements" #~ msgstr "Penyesaran &normal" #~ msgid "&Recalculate All" #~ msgstr "&Kira Semula Semua" #~ msgid "Default &Quality:" #~ msgstr "K&ualiti Lalai:" #~ msgid "Show occupied orbitals first" #~ msgstr "Papar petala pertama diduduki" #~ msgid "Limit orbital precalculations to " #~ msgstr "Hadkan prapengiraan petala kepada " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "petala disekitar HOME/LUMO" #~ msgid "Surface Type:" #~ msgstr "Jenis Permukaan:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Rendah" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Sederhana" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Tinggi" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Sangat Tinggi" #~ msgid "Isosurface cutoff value" #~ msgstr "Nilai pangkasan permukaan-iso" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Jenis Paparan In:" #~ msgid "New Display" #~ msgstr "Paparan Baru" #~ msgid "Advanced..." #~ msgstr "Lanjutan..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Panjang:" #~ msgid "Uni&t:" #~ msgstr "Uni&t" #~ msgid "periodic units" #~ msgstr "unit berkala" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "jejari bohr" #~ msgid "nanometers" #~ msgstr "nanometer" #~ msgid "&Cap with hydrogen" #~ msgstr "&Tutup dengan hidrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Ia mungkin mengambil masa. Jika hanya koordinat\n" #~ "atom diperlukan (katakanm untuk pengiraan mekanikal\n" #~ "kuantum), perwakilan hanya satu ikatan tunggal adalah\n" #~ "memadai." #~ msgid "Find &double bonds" #~ msgstr "Cari ikatan &dubel" #~ msgid "Display visual cues" #~ msgstr "Papar cue visual" #~ msgid "Python Settings" #~ msgstr "Tetapan Python" #~ msgid "Z Matrix Editor" #~ msgstr "Penyunting Matriks Z" OpenChemistry-avogadrolibs-ceb949f/i18n/nb.po000066400000000000000000010341421516317240700212150ustar00rootroot00000000000000# Norwegian Bokmal translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Allan Nordhøy , 2020, 2021, 2022, 2023. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Norwegian Bokmål \n" "Language: nb\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Ingen melding angitt." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referansefilen «%1» finnes ikke." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 #, fuzzy msgid "Response must be a JSON object at top-level." msgstr "Svaret må være et JSON-objekt på øverste nivå." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Skriptutdata:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Fortsett" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Lukk" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Ukjent" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Send inn %1-beregning" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Klarte ikke å skrive til filen %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Velg utdatamappe" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Mappen finnes ikke." #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Mappen er skrivebeskyttet!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Filen vil bli overskrevet." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Filen er skrivebeskyttet." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Klarte ikke å sende inn jobb" #: molequeue/molequeuedialog.cpp:130 #, fuzzy, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Jobben har blitt avvist av MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Velg et program først." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Intern feil." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Klarte ikke å løse valg av program. Dette er en feil." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Del vannrett" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Del loddrett" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oksygen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silisium" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Svovel" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Jern" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobolt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Kobber" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Sink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Sølv" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tinn" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Gull" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Kvikksølv" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Bly" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Vismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Røntgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenness" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Bla gjennom" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lesere" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "les" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "skrivere" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "skriv" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Alle filer" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Prosessorkjerner" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Utregningstype" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Ladning" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Lag %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kuler og pinner" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Kartesisk" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Flater" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetrielementer" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Kantlinjer" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Uten tittel" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Opprett en ny visning" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodetabell" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Skript krasjet." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Tidsavbrudd for skript." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Skrivefeil." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Endre lag" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Legg til lag" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Legg til laginfo" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Legg til atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Fjern Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Fjern atomer" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Juster hydrogener" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Endre grunnstoff" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Endre grunnstoff" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Legg til binding" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Slett binding" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Bindingsegenskaper" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Slett binding" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Innstillinger" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fil" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Eksporter" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Bygg" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Grunnstoff:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Akse:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-fil (*.dx)" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Feil" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Kunne ikke lese strukturfil (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX-feil" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Kunne ikke lese OpenDX-fil: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Åpne PDB-fil" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-filer (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Åpne PQR-fil" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-filer (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Feil" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Kunne ikke kjøre APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Angi PDB-fil" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Suksess" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Lagre APBS-inndatafil" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Selvvalgt farge…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Grunnstoff" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Etter kjede" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Partiell ladning…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Etter sekundær struktur" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminosyrer" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spektra" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vis" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimalisering" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatur:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stopp" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimiser geometri" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Vis multiple bindinger" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy msgid "Bond Selected Atoms" msgstr "Bind valgte atomer" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Liaison" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Bakgrunn" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Kartesisk" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Utvidelser" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Behandler %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Sett sti til Python-fortolker:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Kommando-skript" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Beregn" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Ugyldig elementnavn." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomnummer." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Ugyldig koordinat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Egendefinert" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-format (symboler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-format (navn)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Slett" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChi" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Utdataformat: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Klarte ikke å lese utklippstavledata." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Oppdaget format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopier og lim inn" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "&Krystallografi" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Krystallografi" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Tegn" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Tegn atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatisk" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Enkel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dobbel" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trippel" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importer" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB-kode" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Nettverksnedlasting mislyktes" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Nettverkstidsavbrudd eller annen feil." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Oppdag automatisk (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Sadelpunkt" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvenser" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gass" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Vann" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Nøytral" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Juster hydrogener" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hydrogener" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogener" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 #, fuzzy msgid "Generating 3D molecule…" msgstr "Genererer 3D-molekyl …" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekyl …" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Krystallografi …" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Sett inn fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Sett inn fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Farger:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Grunnstoff" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Ugjennomsiktighet:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Ingen beskrivelse!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Kunne ikke laste inn forespurt formatleser." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuler" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mål" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Vinkel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Måleverktøy" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekyl …" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Egenskaper" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Molekylegenskaper" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Eksporter CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Eksporter …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Naviger" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigasjonsverktøy" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kjemisk navn" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Fjern hydrogener" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Åpne Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 #, fuzzy msgid "Generating…" msgstr "Genererer …" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, fuzzy, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starter %1 …" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Steg %1 av %2\n" "Nåværende energi: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 #, fuzzy msgid "Updating molecule…" msgstr "Oppdaterer molekyl …" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Kan ikke åpne fil med Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "&OpenMM-inndata …" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM-inndata" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generer inndata for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Laster ned %1 til %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Status" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versjon" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Beskrivelse" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Spiller" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " Førstepersonsskytespill" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Spill" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pause" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "videofiler (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Feilmelding: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Pakker ut %1 til %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Fullførte %1 filer\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 #, fuzzy msgid "Extraction successful\n" msgstr "Utpakket\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Klarte ikke å pakke ut: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 #, fuzzy msgid "Download Plugins…" msgstr "Laster ned programtillegg …" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Laster ned programtillegg" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Last ned programtillegg fra GitHub-pakkebrønner." #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "PLY-opptegner …" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Lagre fil" #: qtplugins/ply/ply.cpp:69 #, fuzzy msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstfil (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Tegn scenen ved bruk av PLY." #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "POV-Ray-opptegner…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valens" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Farger" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atome" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Sluttatom" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Bindingsegenskaper" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lengde (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Hjørne" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Vinkel (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Atomegenskaper…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Bindingsegenskaper…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Vinkelegenskaper…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Egenskaper" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atomegenskaper" #: qtplugins/propertytables/propertyview.cpp:49 #, fuzzy msgid "Bond Properties" msgstr "Bindingsegenskaper" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Vinkelegenskaper" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Skript-filformater" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Velg" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Velg" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Utvalg" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektra" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infrarødt" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 #, fuzzy msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Velg bakgrunnsfarge" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Velg forgrunnsfarge" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intensiteter" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Energi (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Symmetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekylærorbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Klasse" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Symmetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Gruppe %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Start animasjon" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Stopp animasjon" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibrasjon" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 #, fuzzy msgid "VRML Render…" msgstr "VRML-opptegner …" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstfil (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Tegn scenen ved bruk av VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogvindu" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Skjema" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy msgid "Placeholder text…" msgstr "Plassholdertekst …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy msgid "Debug Script…" msgstr "Avlus skript …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Send inn beregning …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Lagre inndatafil …" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Gjenoppfrisk" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Skjul jobb i MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Sett inn fragment …" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Suksess!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Partiell ladning" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Legg til" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Bruk" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Standardverdier" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Lagre fil …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tittel:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A-gjentagelse:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B-gjentagelse:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C-gjentagelse:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Bruk" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Angre" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Skjul" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Inn:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplisitet:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Med:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Ladning:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "navn" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Enkel" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dobbel" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cystein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenylalanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Generate…" msgstr "Genererer …" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Origo" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy msgid "Method" msgstr "Metode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dobbel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Skranker:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Bølgelengde:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Utseende" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Vis" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Background:" msgstr "Bakgrunn:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Eksporter data" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy msgid "&Close" msgstr "Lukk" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kvalitet: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Faible" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Moyen" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Élevée" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farge:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Oppløsning:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lys" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekyl" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "1: Lineær" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "2: Lineær" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupper" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Gruppe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Oversettelse ved Allan Nordhøy\n" "Anders Oftedal, Kenneth Langdalen, Simen Heggestøyl, og Tor Syversen" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "epost@anotheragency.no, anders.oftedal@gmail.com, simen@simenh.com, " "simenheg@gmail.com, sol-moe@online.no" #, fuzzy #~ msgid "Angles:" #~ msgstr "Vinkel:" #, fuzzy #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Avbryt" #~ msgid "°" #~ msgstr "°" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analytisk" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #, fuzzy #~| msgid "&Import" #~ msgid "&Import..." #~ msgstr "&Importer ..." #, fuzzy #~| msgid "&Export" #~ msgid "&Export..." #~ msgstr "&Eksporter ..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Partiell ladning" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animasjon" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Optimiser geometri" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomnummer" #, fuzzy #~ msgid "By Distance" #~ msgstr "Avstand(er):" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomnummer" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekyl" #~ msgid "Number of Atoms:" #~ msgstr "Antall atomer:" #~ msgid "Number of Bonds:" #~ msgstr "Antall bindinger:" #, fuzzy #~ msgid "In." #~ msgstr "Inn:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment …" #~ msgid "Download Plugins..." #~ msgstr "Laster ned programtillegg …" #~ msgid "S&erver" #~ msgstr "T&jener" #~ msgid "Connection failed" #~ msgstr "Tilkobling mislyktes" #, fuzzy #~ msgid "Filename" #~ msgstr "Filnavn:" #~ msgid "&Hostname:" #~ msgstr "&Vertsnavn:" #~ msgid "Port" #~ msgstr "Port" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Naviger" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Naviger" #~ msgid "Files of type:" #~ msgstr "Filer av type:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Grunnstoff" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Tous les fichiers" #, fuzzy #~ msgid "Layer" #~ msgstr "Spiller" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekyl" #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "Genererer 3D-molekyl …" #, fuzzy #~ msgid "Crystal..." #~ msgstr "&Krystallografi" #, fuzzy #~ msgid "Write" #~ msgstr "skriv" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Juster hydrogener" #~ msgid "Atom Properties..." #~ msgstr "Atomegenskaper..." #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Bindingsegenskaper..." #~ msgid "Angle Properties..." #~ msgstr "Vinkelegenskaper …" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Atomegenskaper" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetri …" #~ msgid "&Exit" #~ msgstr "&Avslutt" #~ msgid "Distance: %L1 Å" #~ msgstr "Avstand: %L1 Å" #~ msgid "Reset to Default Values" #~ msgstr "Gjenopprett forvalgte verdier" #~ msgid "Write files to disk..." #~ msgstr "Skriv filer til disk …" #~ msgid "Rotatable" #~ msgstr "Roterbar" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Vinkel %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energi (eV)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nei" #, fuzzy #~ msgid "Import" #~ msgstr "Importer" #, fuzzy #~ msgid "Insert SMILES fragment:" #~ msgstr "Sett inn fragment" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "&Krystallografi" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Juster hydrogener" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stopp" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Flater" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Fargelegg etter indeksering (rød, oransje, gul, blå, fiolett)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Farge etter partiell ladning (blå = positiv, rød = negativ)." #~ msgid "Color by Distance" #~ msgstr "Farge etter avstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Farge etter avstand fra det første atomet." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farge etter grunnstoff (karbon = grå, oksygen = rød, …)." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS-mønster:" #~ msgid "Highlight Color:" #~ msgstr "Farge for framheving:" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Axes" #~ msgstr "Akser" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogenbinding" #~ msgid "Renders hydrogen bonds" #~ msgstr "Tegner hydrogenbindinger" #~ msgid "Polygon" #~ msgstr "Mangekant" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals-kuler" #~ msgid "%1/%2" #~ msgstr "%1%2" #~ msgid "Adding .avi extension" #~ msgstr "Legger til .avi-utvidelse" #~ msgid "Animation..." #~ msgstr "Animasjon..." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Må spesifisere et gyldig .avi-filnavn" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Kunne ikke fastslå formatet utfra filnavnet: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animer baner, reaksjoner og vibrasjoner." #~ msgid "Number of atoms: %1" #~ msgstr "Antall atomer: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Antall roterbare bindinger: %1" #~ msgid "Add constraint" #~ msgstr "Legg til skranke" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Molekylet ditt må inneholde minst ett atom for å legge til en skranke" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekylet ditt må inneholde minst to atomer for å legge til en " #~ "bindingsskranke" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekylet ditt må inneholde minst tre atomer for å kunne legge til en " #~ "vinkelbegrensning" #~ msgid "&Reduce" #~ msgstr "&Reduser" #~ msgid "Undefined" #~ msgstr "Indéfini" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Sekskantet" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubisk" #~ msgid "Trajectory..." #~ msgstr "Bane …" #~ msgid "Import trajectory files" #~ msgstr "Importer banefiler" #~ msgid "Constraints..." #~ msgstr "Skranker..." #~ msgid "&Vector Graphics..." #~ msgstr "&Graphiques vectoriels..." #~ msgid "Common vector image formats" #~ msgstr "Format d'image vectorielle usuel" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Peptide..." #~ msgstr "Peptid …" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "ukjent" #~ msgid "Show Preview" #~ msgstr "Forhåndsvisning" #~ msgid "Hide Preview" #~ msgstr "Skjul forhåndsvisning" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Bildefiler (*.png *.pbm)" #~ msgid "Does not compute." #~ msgstr "Lar seg ikke beregne." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Kan ikke skrive til fila %1. Har du skriverettigheter i dette området?" #~ msgid "Python Terminal" #~ msgstr "Python-terminal" #~ msgid " (" #~ msgstr " (" #~ msgid ")" #~ msgstr ")" #~ msgid "Gaussian Running." #~ msgstr "Gaussian kjører." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian kjører allerede. Vent til den forrige utregningen er ferdig." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian er ikke installert." #~ msgid "&Dalton..." #~ msgstr "&Dalton …" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Running." #~ msgstr "MOPAC kjører." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC kjører allerede. Vent til den forrige utregningen er ferdig." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC er ikke installert." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC startet ikke. Kanskje det er installert feil." #~ msgid "Running MOPAC calculation..." #~ msgstr "Kjører MOPAC-utregning …" #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC krasjet." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC kjørte ikke som det skal. Kanskje det er installert feil." #~ msgid "X Axis" #~ msgstr "X-akse" #~ msgid "Y Axis" #~ msgstr "Y-akse" #~ msgid "Publication" #~ msgstr "Publikasjon" #~ msgid "Handdrawn" #~ msgstr "Håndtegnet" #~ msgid "Comma Separated Values" #~ msgstr "Kommaseparerte verdier" #~ msgid "Data Format" #~ msgstr "Dataformat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Last inn spektraldata" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Save Spectra Image" #~ msgstr "Lagre spektralbilde" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorterer %1 vibrasjoner etter frekvens …" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ingenting" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgid "Connect" #~ msgstr "Koble til" #~ msgid "Disconnect" #~ msgstr "Koble fra" #~ msgid "Debug Information" #~ msgstr "Feilsøkingsinformasjon" #~ msgid "Atoms: %L1" #~ msgstr "Atomer: %L1" #~ msgid "Molecule %1" #~ msgstr "Molekyl %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Ukjent Python-motor" #~ msgid " - no module" #~ msgstr " - ingen modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ukjent Python-utvidelse" #~ msgid "Tools" #~ msgstr "Verktøy" #~ msgid "Everything" #~ msgstr "Alt" #~ msgid "Algorithm:" #~ msgstr "Algoritme:" #~ msgid "Fixed atoms are movable" #~ msgstr "Faste atomer kan flyttes" #~ msgid "Auto Rotation Tool" #~ msgstr "Automatisk roterings verktøy" #~ msgid "x rotation:" #~ msgstr "x rotasjon:" #~ msgid "x rotation" #~ msgstr "x rotasjon" #~ msgid "y rotation:" #~ msgstr "y rotasjon:" #~ msgid "y rotation" #~ msgstr "y rotasjon" #~ msgid "z rotation:" #~ msgstr "z rotasjon:" #~ msgid "z rotation" #~ msgstr "z rotasjon" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Draw Bond" #~ msgstr "Tegn binding" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Tegn og rediger atomer og bindinger" #~ msgid "Atom/Bond" #~ msgstr "Atom/Binding" #~ msgid "Change color of the atom" #~ msgstr "Endre farge på atomet" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Ny radius, %1:" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bindingslengde" #~ msgid "Create/edit a z-matrix" #~ msgstr "Lag/rediger en z-matrise" #~ msgid "Axes:" #~ msgstr "Akser:" #~ msgid "Cartesian Axes" #~ msgstr "Kartesiske akser" #~ msgid "Orthogonal Axes" #~ msgstr "Ortogonale akser" #~ msgid "Axis 1:" #~ msgstr "Akse 1:" #~ msgid "Axis 2:" #~ msgstr "Akse 2:" #~ msgid "Axis 3:" #~ msgstr "Akse 3:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Bond Radius:" #~ msgstr "Bindingsradius:" #~ msgid "Text:" #~ msgstr "Tekst:" #~ msgid "Bond length" #~ msgstr "Bindingslengde" #~ msgid "Bond number" #~ msgstr "Bindingsnummer" #~ msgid "Radius:" #~ msgstr "Radius:" #~ msgid "Positive" #~ msgstr "Positiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Vis atomer" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Number of atoms:" #~ msgstr "Antall atomer:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Antall roterbare bindinger:" #~ msgid "Ignore Atom" #~ msgstr "Ignorer atom" #~ msgid "Fix Atom" #~ msgstr "Bind atom" #~ msgid "Fix Atom X" #~ msgstr "Bind atom X" #~ msgid "Fix Atom Y" #~ msgstr "Bind atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Bind atom Z" #~ msgid "Save" #~ msgstr "Lagre" #~ msgid "Number of steps" #~ msgstr "Antall steg" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "Path:" #~ msgstr "Sti:" #~ msgid "Parallel" #~ msgstr "Parallell" #~ msgid "Property:" #~ msgstr "Egenskap:" #~ msgid "System" #~ msgstr "System" #~ msgid "Misc" #~ msgstr "Diverse" #~ msgid "Default" #~ msgstr "Standard" #~ msgid "Minutes" #~ msgstr "Minutter" #~ msgid "Hours" #~ msgstr "Timer" #~ msgid "Days" #~ msgstr "Dager" #~ msgid "Weeks" #~ msgstr "Uker" #~ msgid "Years" #~ msgstr "År" #~ msgid "Memory:" #~ msgstr "Minne:" #~ msgid "Skip" #~ msgstr "Hopp over" #~ msgid "Numeric" #~ msgstr "Numerisk" #~ msgid "Stationary Point" #~ msgstr "Stasjonært punkt" #~ msgid "Z-matrix" #~ msgstr "Z-matrise" #~ msgid "New..." #~ msgstr "Ny …" #~ msgid "Rename..." #~ msgstr "Endre navn …" #~ msgid "mm" #~ msgstr "mm" #~ msgid "Relative" #~ msgstr "Relativ" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Lav" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Høy" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Veldig høy" #~ msgid "Advanced..." #~ msgstr "Avansert …" #~ msgid "Python Settings" #~ msgstr "Python-innstillinger" OpenChemistry-avogadrolibs-ceb949f/i18n/nl.po000066400000000000000000011662551516317240700212420ustar00rootroot00000000000000# Dutch translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Koen Roggemans , 2022, 2024. # Joeri van Limpt , 2023. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Dutch \n" "Language: nl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batchtaak #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Geen bericht gespecificeerd." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output moet een JSON object at top level zijn. " "Ontvangen:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Niet string waarschuwing gegeven." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' onderdeel is geen array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referentie bestand '%1' bestaat niet." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Fout tijdens vullen van bestand %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Bestand '%1' is slecht gevormd. Missende string 'contents' of 'filePath' " "onderdeel." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Misvormd bestand invoer: bestandsnaam/inhoud mist of geen strings:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Misvormd bestand invoer bij index %1: Niet een object." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' onderdeel is geen array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'files' onderdeel mist." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' onderdeel refereert niet aan een invoer in 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' onderdeel moet een string zijn." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Antwoord moet een JSON object at top-level zijn." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Fout tijdens opslaan molecuul representatie naar string: Niet herkend " "bestandsformaat: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Fout tijdens opslaan molecuul representatie naar string: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator Cjson object: Geadresseerde JSON is geen object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Invoer Generator (fout)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Ivoer Generator" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Vervolg" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Sluiten" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Onbekend" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Het volgende bestand is aangepast:\n" "\n" "%1\n" "\n" "Wilt u uw veranderingen overschrijven om de nieuwe geometrie of werkopties " "te reflecteren?" msgstr[1] "" "Volgende bestanden zijn aangepast:\n" "\n" "%1\n" "\n" "Wilt u uw veranderingen overschrijven om de nieuwe geometrie of werkopties " "te reflecteren?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overschrijf gewijzigd input bestand?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Problemen onstonden tijdens invoer generatie:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Geen invoer bestanden om op te slaan!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Kan niet verbinden met MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Kan niet verbinden met MoleQueue server. Zorg ervoor dat deze actief is en " "probeer opnieuw." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Dien %1 berkening in" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Taak Mislukt" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "De taak is niet succecvol voltooid." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script geeft waarschuwingen terug:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Verberg &Waarschuwingen" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Toon &Waarschuwingen" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Er is een fout opgetreden:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Interne fouten konden geen tekst-widget vinden voor bestand '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output-fout" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Schrijven naar bestand %1 mislukt." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Selecteer uitvoermap" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Geen molecule ingesteld in achtergrondsbestandsformaat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Geen bestandsnaam ingesteld in achtergrondsbestandsformaat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Waterstof" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Koolstof" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Stikstof" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Zuurstof" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicium" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Zwavel" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chloor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chroom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangaan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ijzer" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Koper" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arseen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Broom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdeen" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Zilver" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimoon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telluur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jood" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lanthaan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantaal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfraam" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Goud" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Kwik" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Lood" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astaat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uraan" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Bladeren" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Alle bestanden" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Kon optie '%1' niet vinden." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titel" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Theorie" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[geen molecule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bal en staaf" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kracht" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Oppervlaktes" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Dradenframe" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Referentieassen" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Naamloos" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodiek systeem" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Verwijder laag" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Verwijder laaginfo" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Wijzig laag" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Voeg Atoom Toe" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "verwijder atoom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Pas Waterstoffen aan" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Wijzig Elementen" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Wijzig Element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Wijzig atoomlaag" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Voeg Binding Toe" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Verwijder bindingen" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Bindingsvolgorde instellen" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Wijzig bindings Orde" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Bindingen bijwerken" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Verwijder Unit Cell" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Wikkel Atomen om Cel" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Schaal Celvolume" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Bouw supercel" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Draai naar Standaardweergave" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Verklein naar Primitieve" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Cel symmetrisch maken" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Vul Celeenheid" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Verklein cel naar asymmetrische eenheid" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Wijzig atoompositie" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Wijzig atoompostitie" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Wijzig atoomlabel" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Instellingen" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Bestand" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exporteren" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Bouw" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Uitlijnen" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "As:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centreer het atoom op de oorsprong." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Lijn molecules uit langs een Cartesische as." #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO-fout" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "FOUT" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Succes" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Kan het bestand %1 niet opslaan." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Op aangepaste kleur…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Op element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Op deellading…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Op secundaire structuur" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Op aminozuren" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectraal" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balans" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "Bekijk" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Kleur atomen" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Kleurresidus" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Selecteer kleurkaart" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Kleurkaart:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Kleuren toepassen" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimalisatie" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Methode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimaliseer geometrie" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Moleculaire Dynamica" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bindingsschaal" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Toon meervoudige bindingen" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Toon waterstof" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Binding-centrisch manipulatiehulpmiddel" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Binding-centrisch manipulatiehulpmiddel." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Ruimtegroep Waarnemen" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Binding" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Ruimtegroep Waarnemen" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Hoofdketen" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Lint" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Maximale afstand:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Geef dichte contacten tussen atomen weer." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensies" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Ander…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Bereken" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Hoek" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Type" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atoom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atoom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atoom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atoom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "&coördinaten editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "coördinaten editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Elementnaam." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Ongeldig elementsymbool." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Elementsymbool." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atoomindex." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atoomnummer." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X -coördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-coördintaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-coördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 #, fuzzy msgid "'a' lattice coordinate." msgstr "'a' roostercoördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 #, fuzzy msgid "'b' lattice coordinate." msgstr "'b' roostercoördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' roostercoördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopiëren" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Knippen" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Delete" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "B&ewerk" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrische Optimalisatie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Moleculaire Mechanica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Vervoeg Gradienten" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Stijlste Afdaling" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Wikkel Atomen om Cel" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Draai naar Standaardweergave" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Schaal Celeenheids&volume…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Bouw &Super Cel…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "&Crystallography" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Verwijder &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Voeg toe &Unit Cell" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Wikkel Atomen om Cel." #: qtplugins/crystal/crystal.cpp:178 #, fuzzy msgid "Rotate the unit cell to the standard orientation." msgstr "Draai naar Standaardweergave" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Crystallography" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Lijnkleur:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipool Moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Teken" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Teken Atoom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Afstand:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Enkel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dubbel" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Drievoudig" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importeren" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Haal PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Chemische structuur om te downloaden." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Netwerkdownload mislukt" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Netwerk-timeout of andere fout." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Gespecifieerde molecule is niet gevonden: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Haal van PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Herstel geseelecteerde atomen" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Krachtveld Optimalisatie" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS Input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Enkel Punt Energie" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Evenwichts Geometrie" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequenties" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Maak EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Kern Potentiaal" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Geen" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutraal" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Pas Waterstoffen aan" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Voeg Waterstoffen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Verwijder Waterstof" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Waterstoffen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Waterstoffen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "Voeg &In" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Crystallography…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "voeg Fragment in" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "voeg Fragment in" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Voeg moleculaire fragmenten in om grotere moleculen te bouwen." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Kleur:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Afstand van midden:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Unieke ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Atoomlabel:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Residu label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die gemaakt " "zijn in het Gaussiaans input deck voorbeeld venster?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Ondoorzichtigheid:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Geen beschrijving gevonden!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Aanpassen" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Meet" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedrale hoek:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Hoek:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Moleculaire…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Eigenschappen" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Moleculaire Eigenschappen" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molecule Eigenschappen" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exporteren CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Kan het bestand niet openen om te schrijven." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exporteren…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigeren" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigatie-tool" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Chemische naam" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Hoektolerantie:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Stel Krachtveld op…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Ruimtegroep Waarnemen" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Voeg Waterstof toe voor pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Verwijder Waterstof" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimaliseer geometrie (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Aantal atomen in obabel output( %1) komt niet overeen met het aantal atomen " "in de originele molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Voeg Waterstoffen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Voeg Waterstof toe voor pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Verwijder Waterstof (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die gemaakt " "zijn in het OpenMM invoer-deck voorbeeldvenster?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Input Generator" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dynamische bindingen?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exporteer Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "video bestanden (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Bestand Opslaan" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valentie" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Kleur" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atoom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Beëindig Atoom" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Bindingsvolgorde" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lengte (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Secundaire Structuur" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Hoek (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Atoom Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Bindings Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Hoek Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Torsie Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Vensters om atoom, bindings, hoek en torsie eigenschappen te tonen." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atoom Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bindings Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Hoek Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Torsie Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Conformer Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "(QTAIM) Quantumtheorie van atomen in moleculen" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renderd primitieven door gebruik te maken van QTAIM eigenschappen" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centreren" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selecteer Alles" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Selecteer niets" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Selecteer per Element…" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Selecteer per Atoom Indices…" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Selecteer per Residu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecteer" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Selecteer Residu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Selecteer" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selectie" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Ruimtegroep Waarnemen…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Verkleinen naar Asymmetrische Eenheid" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Vul Celeenheid…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Ruimtegroup" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internationaal" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hal" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Selecteer ruimtegroep" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Ruimtegroup" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spectraal" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infrarood" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "Elektronen" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Selecteer Achtergrond Kleur" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Golfnummer (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "NMR-Spectraal" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energie (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Moleculaire orbitaal" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronen Dichtheid" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Creëer Oppervlaktes…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 #, fuzzy msgid "Render a molecular orbital." msgstr "Geef een moleculaire orbitaal." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Berekenen van Elektronen Dichtheid" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Groep %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Start Animatie" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Stop Animatie" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibratie" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Fout: %1 starten mislukt" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Vorm" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Bewaar invoer…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "voeg Fragment in…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Force Field:" msgstr "Krachtveld:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succes!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Cube-bestand laden" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "gedeeltelijke verandering" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Toevoegen" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formaat:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Plakken" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Wis" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Toepassen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset Alles" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Standaarden" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Bestand Opslaan…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basis Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titel:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cel Opties" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A herhaal:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B herhaal:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C herhaal:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Schaal Celeenheidsvolume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindings Orde:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multipliciteit:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Breedte:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Lading:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "naam" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "Nucleic Acids:" msgstr "Nucleïnezuren:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Ander" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Enkel" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dubbel" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartinezuur" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cysteine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutaminezuur" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proline" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenylalanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequentie (N naar C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochemie:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C Terminus:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Rechte Keten" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Ketting Nummer:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Het Kettingnummer voor de nieuwe peptide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Gebruiksvorm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Oorsprong" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Methode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Aantal conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Systematisch Rotor Zoeken" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Willekeurige Rotor Zoeken" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Gewogen Rotor Zoeken" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Stijlste Afdaling" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Krachtveld:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referentie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dubbel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Beperkingen:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Golflengte:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Uitzicht" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Geïmorteerde Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Toon" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Achtergrond:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "Sluiten" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Dubbelklikken: Herstel standaard assen limieten\n" "Rechts klikken + slepen: Verplaats Plot\n" "Midden klikken + slepen: Zoom naar de regio\n" "Scrollen : Zoom naar de cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Laag" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Hoog" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Creëer Oppervlaktes" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Kleur Per:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Elektrostatisch Potentiaal" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolutie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isooppervlakte cutoff waarde:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Licht" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Bereken" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Coördinaten:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Groep" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Groep:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Kristof Bal,Sander Deryckere,Vincent " "Tijms,ubby, ,Launchpad Contributions:,Kristof Bal,Sander Deryckere,Vincent " "Tijms,ubby, ,Launchpad Contributions:,Kristof Bal,Sander " "Deryckere, ,Launchpad Contributions:,Kristof Bal,Sander Deryckere,Vincent " "Tijms,ubby, ,Launchpad Contributions:,Joostkam,Kristof Bal,Sander " "Deryckere,Vincent Tijms,ubby, ,Launchpad Contributions:,Joostkam,Kristof " "Bal,Sander Deryckere,Vincent Tijms,arisos,ubby, ,Launchpad " "Contributions:,Avogadro Team,Joostkam,Kristof Bal,Sander Deryckere,Vincent " "Tijms,arisos,ubby, ,Launchpad Contributions:,Avogadro Team,Joostkam,Kristof " "Bal,Sander Deryckere,Vincent Tijms,arisos,ubby, ,Launchpad " "Contributions:,Avogadro Team,Joostkam,Kristof Bal,Sander Deryckere,Vincent " "Tijms,arisos,ubby, ,Launchpad Contributions:,Avogadro Team,Ewout De " "cat,Joostkam,Kristof Bal,Sander Deryckere,Vincent " "Tijms,arisos,ubby, ,Launchpad Contributions:,Avogadro Team,Ewout De " "cat,Joostkam,Kristof Bal,Sander Deryckere,Vincent Tijms,Willem " "Sonke, ,Launchpad Contributions:,Avogadro Team,Ewout De cat,Joostkam,Kristof " "Bal,Sander Deryckere,Vincent Tijms,Willem Sonke, ,Launchpad " "Contributions:,Avogadro Team,Ewout De cat,Joostkam,Kristof Bal,Maarten van " "Druten,Sander Deryckere,Vincent Tijms,Willem Sonke,Koen Roggemans" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,kristof.bal@gmail.com,sanderd17@gmail.com,,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,,kristof.bal@gmail.com,sanderd17@gmail.com,vtijms@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,,kristof.bal@gmail.com,sanderd17@gmail.com,vtijms@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,,kristof.bal@gmail.com,m.vandruten@smoose.nl,sanderd17@gmail.com,vtijms@gmail.com," #, fuzzy #~ msgid "Angles:" #~ msgstr "Hoek:" #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Annuleren" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Vensters om atoom, bindings, hoek en torsie eigenschappen te tonen." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analytisch" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importeren" #~ msgid "Set Color..." #~ msgstr "Zet Kleur..." #~ msgid "&Export..." #~ msgstr "&Exporteren..." #~ msgid "&Load data..." #~ msgstr "Laad data..." #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "gedeeltelijke verandering" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animatie" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometrie" #~ msgid "Add Unit Cell" #~ msgstr "Voeg Unit Cell toe" #~ msgid "By Atomic Index" #~ msgstr "Op atoomindex" #~ msgid "By Distance" #~ msgstr "Op afstand" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Molecule Lading:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecule Gewicht (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemische Formule:" #~ msgid "Number of Atoms:" #~ msgstr "Aantal Atomen:" #~ msgid "Number of Bonds:" #~ msgstr "Aantal bindingen:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Sprong grootte:" #~ msgid "In." #~ msgstr "In." #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmenteer…" #~ msgid "Other..." #~ msgstr "Ande..." #~ msgid "Filename" #~ msgstr "Bestandsnaam" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Structuur:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigeren" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigeren" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element naam" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Alle bestanden" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Dihedrale hoek:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Geen molecule geset" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #, fuzzy #~ msgid "Crystal..." #~ msgstr "&Crystallography" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Voeg Waterstof toe voor pH..." #~ msgid "Atom Properties..." #~ msgstr "Atoom Eigenschappen..." #~ msgid "Bond Properties..." #~ msgstr "Bindings Eigenschappen..." #~ msgid "Angle Properties..." #~ msgstr "Hoek Eigenschappen..." #~ msgid "Torsion Properties..." #~ msgstr "Torsie Eigenschappen..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Eigenschappen..." #~ msgid "Create Surfaces..." #~ msgstr "Creëer Oppervlakten..." #~ msgid "Insert Fragment..." #~ msgstr "Voeg Fragment in..." #~ msgid "Theory:" #~ msgstr "Theorie:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Afstand (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Roteerbaar" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Conformer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Hoek %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsie %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nee" #, fuzzy #~ msgid "Import" #~ msgstr "Importeren" #~ msgid "Insert SMILES" #~ msgstr "voeg SMILES in" #~ msgid "Insert SMILES fragment:" #~ msgstr "voeg SMILES fragment in:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "&Crystallography" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "voeg moleculaire fragmenten in om grotere moleculen te bouwen" #~ msgid "E&xtensions" #~ msgstr "E&xtensies" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimaliseer geometrie" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrie Optimalisation" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Voeg Waterstoffen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Oppervlaktes" #~ msgid "Color by Index" #~ msgstr "Kleur per index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Kleur per index (rood, oranje, geel, groen, blauw, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Kleur per Gedeeltelijke Lading" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Kleur door atomische gedeeltelijke lading (blauw = positief, rood = " #~ "nagatief)." #~ msgid "Custom Color:" #~ msgstr "Aangepaste Kleur:" #~ msgid "Set custom colors for objects" #~ msgstr "Stel aangepaste kleuren in voor objecten" #~ msgid "Color by Distance" #~ msgstr "Kleur door afstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Kleur door afstand van het eerste atoom" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Kleur door element (Koolstof = grijs, zoorstof = rood, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Kleur per Residu (aminozuur, hydrofobiteit, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Patroon:" #~ msgid "Highlight Color:" #~ msgstr "Accentuatiekleur:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Kleur pet SMARTS Patroon" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Markeer particuliere functies die aan een SMARTS patroon voldoen." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "" #~ "Copy text \n" #~ " Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Assen" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Geef primitieven weer door Bollen (atomen) en Stokjes (bindingen) te " #~ "gebruiken" #~ msgid "Hydrogen Bond" #~ msgstr "Waterstofbrug" #~ msgid "Renders hydrogen bonds" #~ msgstr "Maakt waterstofbruggen aan" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecteer Atoom Labels Kleur" #~ msgid "Select Bond Labels Color" #~ msgstr "Selecteer Binding Labels Kleur" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecteer Bindings Labels Lettertype" #~ msgid "Polygon" #~ msgstr "Veelhoek" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Geef atomen als tetraeders, octaeders en andere veelhoeken weer" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Geef proteïne hoofdketens als lintjes weer" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Geef ringen met gekleurde vlakken weer" #~ msgid "Simple Wireframe" #~ msgstr "Eenvoudig Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Geef bindingen als draden (lijnen) weer, ideaal voor grote moleculen" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Bollen" #~ msgid "Stick" #~ msgstr "Stok" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektrondichtheid, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, iso-oppervlakte= %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Geef bindingen als draden (lijnen) weer, ideaal voor zeer grote " #~ "(bio)moleculen" #~ msgid "Trajectory files" #~ msgstr "Traject bestanden" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY bestanden" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi extensie aan het toevoegen" #~ msgid "Animation..." #~ msgstr "Animatie..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Kan het bestandsformaat van het bestand %1 niet lezen." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Lezen baanbestand %1 mislukt." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Een geldige .avi bestandsnaam moet gespecifieerd worden" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Het GL widget was niet correct geïnitialiseerd om video op te slaan" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Ongeldige vidoe bestandsnaam. Het volledige pad moet gegeven worden" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Ongeldige bestandsnaam. Het volledige pad moet gegeven worden, ook de .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Kon het format van het bestandsnaam niet bepalen: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animeer tracecten, reacties en vibraties" #~ msgid "Cartesian Editor" #~ msgstr "Cartesiaanse Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Geen eenheidscel gedefinieerd voor molecule - kan geen gebruik maken van " #~ "de fractionele coördinaten." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesiaanse Bewerker..." #~ msgid "Cartesian editor" #~ msgstr "Cartesiaanse editor" #~ msgid "Number of atoms: %1" #~ msgstr "Aantal atomen: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Aantal roteerbare bindingen: %1" #~ msgid "Add constraint" #~ msgstr "Voeg beperking toe" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Je molecule moet minimum één atoom bevatten om een beperking te mogen " #~ "toevoegen" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Je molecule moet minimum twee atomen bevatten om een bindingsbeperking te " #~ "mogen toevoegen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Je molecule moet minimum drie atomen bevatten om een hoek beperking te " #~ "mogen toevoegen" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Je molecule moet minimum vier atomen bevatten om een torsie beperking toe " #~ "te voegen" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "Show &Editors" #~ msgstr "Toon &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Verberg &Eigenschappen Scherm" #~ msgid "Show &Property Display" #~ msgstr "Toon &Eigenschappen Scherm" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Ruimtegroep: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Ongedefinieerd" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Kristallografie" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombische" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Zeshoekig" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubiek" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli reductie is mislukt. De ingang structuur van het framework brengt " #~ "het Niggli reductie algoritme in de war.\n" #~ "Probeer daarom een kleine storing aan de ingang van het framework te " #~ "creëren (ongeveer 2 ordes van grootte minder dan wat hij kan verdragen) " #~ "en probeer het opnieuw." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gefaald om cel na 1000 pogingen van het verkleiningsalgoritme te " #~ "verkleinen. Taak afbreken." #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Set Spacegroup" #~ msgstr "Verander Ruimtegroep" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Voor dit document is geen ruimtegroep toegewezen.\n" #~ "\n" #~ "Wilt u nu een ruimtegroep toewijzen?" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Verklein naar Niggli Cell" #~ msgid "Trajectory..." #~ msgstr "Traject..." #~ msgid "Open chemical file format" #~ msgstr "Open chemisch bestandsformaat" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemische bestanden (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemische bestanden (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importeer Traject" #~ msgid "Import trajectory files" #~ msgstr "Importeer traject bestanden" #~ msgid "Calculate Energy" #~ msgstr "Bereken Energie" #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Kan het huidig geselecteerde krachtveld voor deze molecule niet " #~ "instellen. UFF instellen als alternatief." #~ msgid "ForceField" #~ msgstr "Krachtveld" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimaliseer molecules en genereer conformers die moleculaire " #~ "krachtvelden gebruiken" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Wijzig H naar Methyl" #~ msgid "H to Methyl" #~ msgstr "H naar Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformeer waterstof naar methyl groepen" #~ msgid "Add or remove hydrogens" #~ msgstr "Voeg waterstoffen toe of verwijder ze" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Voeg oligopeptide sequenties in" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Geschatte Dipool Moment (D):" #~ msgid "Fetch from URL..." #~ msgstr "Haal vanURL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry om te downloaden." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL van de te downloaden molecule." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Gespecifieerde molecule kon niet geladen worden: %1" #~ msgid "Network Fetch" #~ msgstr "Netwerk Ophalen" #~ msgid "Fetch molecule files over the network." #~ msgstr "Haal molecules op over het netwerk" #~ msgid "Show Preview" #~ msgstr "Toon Voorbeeld" #~ msgid "Hide Preview" #~ msgstr "Verberg Voorbeeld" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Sla met POV-Ray gemaakt beeld op" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Beeld bestand (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Geen geldige bestandsnaam is voorzien." #~ msgid "Does not compute." #~ msgstr "Berekend niet." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Je hebt gevraagd om de resultaten van POV-Ray niet direct weer te geven " #~ "en om het POV-Ray bestand niet op te slaan. Dit zal resulteren in een " #~ "berekening waarbij er geen output opgeslaan wordt. Ben je zeker dat je " #~ "dit wilt?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "Kan bestand %1 niet beschrijven. Heb je toegang tot die locatie?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray start is gefaald." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray start is gefaald. Misschien is het pad naar het uitvoerbaar " #~ "bestand verkeer gezet." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Creëer POV-Ray bestanden en geef ze weer door het POV-Ray programma via " #~ "de command line te gebruiken." #~ msgid "Conformer Properties..." #~ msgstr "conformer Eigenschappen..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "interactieve python scripting terminal" #~ msgid "QM Matches" #~ msgstr "QM Overeenkomsten" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selectie..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selectie..." #~ msgid "You must make a selection!" #~ msgstr "Maak eens een selectie, anders kan ik niet veel doen ;-)" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversie Onbeschikbaar" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Conversie Onbeschikbaar" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Creëer input bestanden voor het GAMESS quantum chemistry pakket" #~ msgid "Advanced Settings Changed" #~ msgstr "Geavanceerde Instellingen Gewijzigd" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Geavanceerde instellingen zijn gewijzigd\n" #~ "Verwerpen?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reset Geavanceerde Instellingen" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ben je zeker dat je de geavanceerde instellingen wil resetten?\n" #~ "Alle wijzigingen zullen verloren gaan!" #~ msgid "Basic Settings Reset" #~ msgstr "Reset Basis Instellingen" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ben je zeker dat je de basis instellingen wil resetten?\n" #~ "Alle wijzigingen zullen verloren gaan." #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussiaana Input Deck Generator Waarschuwing" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussiaans Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Bezig." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is al bezig. Dat arm beestje van een computer niet opjagen é." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian is niet Geïnstalleerd." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Het uitvoerbaar G03 bestand, kan niet gevonden worden." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 is niet gestart. Misschien is het niet correct geïnstalleerd." #~ msgid "Running Gaussian calculation..." #~ msgstr "Bezig met Gaussiaanse berekening..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian is niet correct gestart. Misschien is het niet correct " #~ "geïnstalleerd." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Waarschuwing" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Bezig." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC is al bezig. Ge moet je computertje zo niet opjagen." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC is niet geïnstalleerd" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Het uitvoerbaar MOPAC bestand is niet gevonden." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC is niet gestart. Misschien is het niet correct geïnstalleerd." #~ msgid "Running MOPAC calculation..." #~ msgstr "Bezig met MOPAC berekening..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC is Gecrashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC liep niet zoals het moest. Misschien is het niet correct " #~ "geïnstalleerd." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Waarschuwing" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die " #~ "gemaakt zijn in het NWChem input deck voorbeeld venster?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Waarschuwing" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die " #~ "gemaakt zijn in het Q-Chem input deck voorbeeld venster?" #~ msgid "Select SMARTS..." #~ msgstr "Selecteer SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Voeg Benoemde Selectie toe" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selectie" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS patroon om te selecteren" #~ msgid "There is no current selection." #~ msgstr "Er is geen huidige selectie" #~ msgid "Add Named Selection" #~ msgstr "Voeg benoemde selectie toe" #~ msgid "Name cannot be empty." #~ msgstr "Het naam vak mag niet leeg zijn." #~ msgid "There is already a selection with this name." #~ msgstr "Er is al een selectie met deze naam." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecteer atomen, bindingen, residuen..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open een vertex shader bronbestand" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader bestanden (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open een fragment shader bronbestand" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader bestanden (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open een shader parameters bestand" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters bestanden (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Laad en gebruik OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "intensiteit (arb. eenh.)" #~ msgid "Transmittance (%)" #~ msgstr "Doorlaatbaarheid (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbatie (%)" #~ msgid "No intensities" #~ msgstr "Geen intenties" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "De Vibratie data in de molecule die je geladen hebt bevat geen " #~ "intensiteit data. De intensiteiten werden gezet naar een arbitraire " #~ "waarde voor visualisatie." #~ msgid "Activity" #~ msgstr "Activiteit" #~ msgid "X Axis" #~ msgstr "X As" #~ msgid "Y Axis" #~ msgstr "Y As" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrarood Spectra instellingen" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra instellingen" #~ msgid "&Raman Settings" #~ msgstr "&Raman Instellingen" #~ msgid "No data" #~ msgstr "Geen Data" #~ msgid "Dark" #~ msgstr "Donker" #~ msgid "Publication" #~ msgstr "Publicatie" #~ msgid "Handdrawn" #~ msgstr "Handgetekend" #~ msgid "New Scheme" #~ msgstr "Nieuw Schema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Bevestig Schema Verwijdering" #~ msgid "Really remove current scheme?" #~ msgstr "Wil je echt het huidige schema verwijderen?" #~ msgid "Change Scheme Name" #~ msgstr "Wijzig Schema Naam" #~ msgid "Enter new name for current scheme:" #~ msgstr "Voeg een nieuwe naam toe aan het huidige schema" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab gescheiden waarden" #~ msgid "Comma Separated Values" #~ msgstr "Comma Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Onbekende extentie: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgid "Data Format" #~ msgstr "Data Formaat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formaat:" #~ msgid "Load Spectral Data" #~ msgstr "laad Spectraal Data" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Getagged beeld Bestandsformaat" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Sla Spectra Beeld op" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiseer spectraal data van kwantum chemie berekeningen" #~ msgid "No vibrational displacements exist." #~ msgstr "Er bestaat geen vibrationele verplaatsing." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualiseer vibrationele modes van kwantum chemische berekeningen" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorteer %1 vibraties per frequentie..." #~ msgid "Super Cell Builder..." #~ msgstr "Super Cel Bouwer..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dit document is momenteel een geïsoleerde molecule. Je moet een cel-" #~ "eenheid creëren." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Bouw en Toon krystallografische super cellen" #~ msgid "Orbitals" #~ msgstr "Orbitalen" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronen Dichtheid" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Fout - ongedefinieerd type" #~ msgid "Calculating VdW Cube" #~ msgstr "Berekenen van VdW Kubus" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "MO berekenen %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget is niet correct geïnitialiseerd om een video te maken" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget heeft geen molecule" #~ msgid "Building video " #~ msgstr "Video maken " #~ msgid "Could not run mencoder." #~ msgstr "Kon mencoder niet starten." #~ msgid "Set Aspect Ratio" #~ msgstr "Aspectverhouding instellen" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "De huidige Avogadro scene is %1x%2 pixels groot, En heeft dus een aspect " #~ "ratio %3.\n" #~ "Je mag deze waarde behouden, als u bijvoorbeeld POV-Ray wilt gebruiken\n" #~ "om een afbeelding van %4x1000 pixels te maken, of je mag een andere " #~ "positieve waarde ingeven,\n" #~ "bijvoorbeeld 1als je POV-Ray wilt gebruiken om een vierkante afbeelding " #~ "te produceren van bijvoorbeeld 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Verbinden" #~ msgid "Disconnect" #~ msgstr "Verbinding verbreken" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Volg beweging door Wii remotes te gebruiken" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Ongeldige OpenGL context.\n" #~ "Ofwel is er iets totaal gebroken in je OpenGL setup (kan je een andere " #~ "OpenGL applicatie uitvoeren?), of je hebt een bug gevonden." #~ msgid "Debug Information" #~ msgstr "Debug informatie" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Beeld Grootte: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomen :%L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 te groot." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Het bestandstype '%1' is niet ondersteund." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Het bestandstype van bestand '%1' is niet ondersteund." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Het lezen van molecule met index %1 van bestand '%2' is mislukt." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 te groot." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Het bestandstype '%1' is niet ondersteund." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Het bestandstype van bestand '%1' is niet ondersteund." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Kan het bestand '%1' niet openen om te lezen." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Vervangen van molecule met index %1 in het bestand '%2' is mislukt." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Bestand '%1' kan niet geopend worden om te lezen." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Bestand '%1' kan niet geopend worden om te schrijven." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Opslaan van het molecule bestand is gefaald - kon het oorspronkelijke " #~ "bestand niet hernoemen." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Opslaan van het moleculaire bestand gefaald - kon het nieuwe bestand niet " #~ "hernoemen." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Opslaan van het moleculaire bestand gefaald - kon het oude bestand niet " #~ "verwijderen." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Molecule schrijven naar '%1' gefaald. OpenBabel functie gefaald." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Bestand %1 kon niet geopend worden om te schrijven." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Conformers schrijven naar bestand '%1' mislukt." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Onbekende Python Engine" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: controleren " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script heeft geen 'Engine' klasse gedefinieerd" #~ msgid " - no module" #~ msgstr " - geen module" #~ msgid "Unknown Python Extension" #~ msgstr "Onbekende Python Extensie" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: Controleren " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script heeft geen 'Extension' klasse gedefinieerd" #~ msgid "Unknown Python Tool" #~ msgstr "Onbekende Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: controleren " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script heeft geen 'Tool' klasse gedefinieerd" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Uitlijning:" #~ msgid "Everything" #~ msgstr "Alles" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Kon het krachtveld niet instellen...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Stappen per Update:" #~ msgid "Algorithm:" #~ msgstr "Algoritme" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Moleculaire Dynamica (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Moleculaire Dynamica (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Gefixeerde atomen zjin beweegbaar" #~ msgid "Ignored atoms are movable" #~ msgstr "Genegeerde atomen zijn beweegbaar" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatische optimalisatie van de moleculaire geometrie" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimalisatie Instellingen" #~ msgid "Auto Rotation Tool" #~ msgstr "Gereedschap voor Automatische Rotatie" #~ msgid "x rotation:" #~ msgstr "x-rotatie:" #~ msgid "x rotation" #~ msgstr "x-rotatie" #~ msgid "y rotation:" #~ msgstr "y-rotatie:" #~ msgid "y rotation" #~ msgstr "y-rotatie" #~ msgid "z rotation:" #~ msgstr "z-rotatie:" #~ msgid "z rotation" #~ msgstr "z-rotatie" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatische rotatie van de moleculen" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotatie Instellingen" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bindings Lengte: %L1" #~ msgid " Show Angles" #~ msgstr " Toon hoeken" #~ msgid "Bond Centric Manipulate" #~ msgstr "Binding-centrische manipulatie" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulatie van bindingslengte, hoek en torso" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Binding-centrische manipulatie Instellingen" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Afstand (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Afstand (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedrale Hoek: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Afstand(en):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Meet bindingslengtes, hoeken en diheralen" #~ msgid "Draw Bond" #~ msgstr "Teken Binding" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Teken en bewerk atomen en bindingen" #~ msgid "Draw Settings" #~ msgstr "Teken Instellingen" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Verschuif, roteer en wijzig atomen en fragmenten" #~ msgid "Manipulate Settings" #~ msgstr "Manipuleer instellingen" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Verschuif, roteer en zoom rond het huidige zicht" #~ msgid "Navigate Settings" #~ msgstr "Navigeer Instellingen" #~ msgid "Selection Mode:" #~ msgstr "Selectie Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atoom/Binding" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecteer Atomen, residuen en moleculen" #~ msgid "Symbol" #~ msgstr "Symbool" #~ msgid "Bond Length" #~ msgstr "Bindingslengte" #~ msgid "Dihedral Angle" #~ msgstr "Dihedrale Hoek" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Creëer/bewerk een z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Instellingen" #~ msgid "Color residues by:" #~ msgstr "Kleur residuen per:" #~ msgid "Hydrophobicity" #~ msgstr "Hydrofobiteit" #~ msgid "Atom Radius:" #~ msgstr "Atoom Straal:" #~ msgid "Bond Radius:" #~ msgstr "Bindingsstraal:" #~ msgid "Shape" #~ msgstr "Vorm" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Lus" #~ msgid "Dipole:" #~ msgstr "Dipool" #~ msgid "Cut-off radius:" #~ msgstr "Afbreek-straal:" #~ msgid "Cut-off angle:" #~ msgstr "Afbreek-hoek:" #~ msgid "Symbol & Atom number" #~ msgstr "Symbool- en atoomnummer" #~ msgid "Residue number" #~ msgstr "Residu nummer" #~ msgid "Bond length" #~ msgstr "Bindings lengte" #~ msgid "Bond number" #~ msgstr "Bindings nummer" #~ msgid "Bond order" #~ msgstr "Bindingsorde" #~ msgid "Radius:" #~ msgstr "Straal" #~ msgid "Include Nitrogens" #~ msgstr "Stikstof tonen" #~ msgid "VdW Opacity:" #~ msgstr "VdW-dekking:" #~ msgid "Orbital:" #~ msgstr "Orbitaal:" #~ msgid "Fill" #~ msgstr "Vul" #~ msgid "Points" #~ msgstr "Punten" #~ msgid "Draw Box:" #~ msgstr "Teken Box:" #~ msgid "Positive" #~ msgstr "Positief" #~ msgid "Negative" #~ msgstr "Negatief" #~ msgid "Show Atoms" #~ msgstr "Toon Atomen" #~ msgid "Animate Trajectory" #~ msgstr "Animeer Baan" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Herhaling" #~ msgid "Save as .avi..." #~ msgstr "Opslaan als .avi..." #~ msgid "Number of atoms:" #~ msgstr "Aantal atomen:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Aantal roteerbare bindingen:" #~ msgid "Ignore Atom" #~ msgstr "Negeer Atoom" #~ msgid "Fix Atom" #~ msgstr "Herstel Atoom" #~ msgid "Fix Atom X" #~ msgstr "Herstel Atoom X" #~ msgid "Fix Atom Y" #~ msgstr "Herstel Atoom Y" #~ msgid "Fix Atom Z" #~ msgstr "Herstel Atoom Z" #~ msgid "Torsion angle" #~ msgstr "Torsie hoek" #~ msgid "Save" #~ msgstr "Opslaan" #~ msgid "Load" #~ msgstr "Laden" #~ msgid "Cartesian" #~ msgstr "Cartesiaans" #~ msgid "All" #~ msgstr "Alle" #~ msgid "File Import..." #~ msgstr "Importeer Bestand..." #~ msgid "Setup Force Field" #~ msgstr "Stel Krachtveld In" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Aantal stappen" #~ msgid "Algorithm" #~ msgstr "Algorithme" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Blad" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Aantal Residuen" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipool Moment (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Geavanceerd" #~ msgid "Grid" #~ msgstr "Rooster" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Selecteer..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Set the background color to be transparent" #~ msgstr "Zet de achtergrondkleur transparant" #~ msgid "Alpha transparency" #~ msgstr "Alfa transpirantie" #~ msgid "Path:" #~ msgstr "Pad" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Bereken..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EFP Matches" #~ msgstr "EFP Overeenkomsten" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Ge&avanceerde Setup" #~ msgid "Hessian" #~ msgstr "Hessiaan" #~ msgid "Stat Point" #~ msgstr "Stat Punt" #~ msgid "System" #~ msgstr "Systeem" #~ msgid "MO Guess" #~ msgstr "MO Gok" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "Read" #~ msgstr "Lees" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Standaard" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Zware Atoom Polarisatie Functies:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#lichte Atoom Polarisatie Functies:" #~ msgid "Polar:" #~ msgstr "Polair:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremum" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Finite Electric Field" #~ msgstr "Eindig Elektrisch Veld" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globale Optimalisatie" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimalisatie" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensiteit" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Geen (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localisatie Methode:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "CI Singles" #~ msgstr "CI Singels" #~ msgid "Full Second Order CI" #~ msgstr "Volledige Tweede Orde CI" #~ msgid "General CI" #~ msgstr "Algemene CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Gelineariseerde CC" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normale Uitvoering" #~ msgid "Check" #~ msgstr "Controle" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Gebruik MP2" #~ msgid "Use DFT" #~ msgstr "Gebruik DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Z-Matrix Variabelen" #~ msgid "Order of Principal Axis:" #~ msgstr "Orde van de Hoofdassen:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unieke cartesische Coördinaten" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Gebruik Symmetrie tijdens Berekeningen" #~ msgid "Minutes" #~ msgstr "Miinuten" #~ msgid "Hours" #~ msgstr "Uren" #~ msgid "Days" #~ msgstr "Dagen" #~ msgid "Weeks" #~ msgstr "Weken" #~ msgid "Years" #~ msgstr "Jaren" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWoorden" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forceer Parallelle Methoden" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Geheugen:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisatie Methode:" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Gebruik Externe Data Representatie voor Berichten" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Lees ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Opgeslagen (DICTNRY)" #~ msgid "Skip" #~ msgstr "Overslaan" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Roteer Alfa en Beta Orbitalen" #~ msgid "Print the Initial Guess" #~ msgstr "Toon de Begin Gok" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface naar Andere Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forceer een Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Solvate with Water" #~ msgstr "Solveer met water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genereer UHF Natuurlijke Orbitalen" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Bereken Enkel Gewijzigde in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlatie" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater uitwisseling + VWN correlatie" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE uitwisseling + VWN5 correlatie" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE uitwisseling + LYP correlatie" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 uitwisseling" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) uitwisseling" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Eén-parameter Progressieve correlatie" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlatie" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlatie" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlatie" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlatie" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlatie" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlatie" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlatie" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlatie" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlatie" #~ msgid "Grid-Free" #~ msgstr "Rooster-Vrij" #~ msgid "Duplicated on Each Node" #~ msgstr "Gedupliceerd op Iedere Knoop" #~ msgid "Distributed Across All Nodes" #~ msgstr "Verdeeld over Alle Knopen" #~ msgid "words" #~ msgstr "Woorden" #~ msgid "Compute MP2 Properties" #~ msgstr "Bereken MP2 Eigenschappen" #~ msgid "Use Localized Orbitals" #~ msgstr "Gebruik Gelocaliseerde Orbitalen" #~ msgid "# of Core Electrons:" #~ msgstr "# Kern Elektronen:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Twee Fase Bin Sortering" #~ msgid "Segmented Transformation" #~ msgstr "Segment Transformatie" #~ msgid "Numeric" #~ msgstr "Numeriek" #~ msgid "Displacement Size:" #~ msgstr "Verplaatsings Grootte:" #~ msgid "Purify Hessian" #~ msgstr "Verproper Hessiaan" #~ msgid "bohrs" #~ msgstr "bohr" #~ msgid "Initial Hessian" #~ msgstr "Initieele Hessiaan" #~ msgid "Guess (+ define)" #~ msgstr "Gok (+definieer)" #~ msgid "Read (from $HESS)" #~ msgstr "Lees (van $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Stap Grootte" #~ msgid "Stationary Point" #~ msgstr "Stationair Punt" #~ msgid "Initial:" #~ msgstr "Initieel:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rationale Functie Optimelisatie" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratische Benadering" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Herbereken de Hessiaan Elke:" #~ msgid "Follow Mode:" #~ msgstr "Volg Mode" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "Gaussian Input" #~ msgstr "Gaussiaanse Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standaard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "kwartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Laad Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Naam:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Wijs Shader toe" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Change Font..." #~ msgstr "Wijzig Font..." #~ msgid "New..." #~ msgstr "Nieuw" #~ msgid "Rename..." #~ msgstr "Hernoem..." #~ msgid "&Schemes:" #~ msgstr "&Schema's:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Breedte:" #~ msgid "&Height" #~ msgstr "&Hoogte:" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Gebruike een geoptimaliseerde waarde voor de lettergrootte van de schema-" #~ "gespecificeerde waarde (scherm naar afbeelding punt groottes geven niet " #~ "goed weer)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-aanpassen Lettergr&ootte" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussiaanse breedte:" #~ msgid "&Label peaks" #~ msgstr "&Label toppen" #~ msgid "&Y Axis Units:" #~ msgstr "&Y As eenheden:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "&Gaussiaanse breedte:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Assen" #~ msgid "Label Peaks:" #~ msgstr "Label Toppen:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Moleculaire Vibraties" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibraties op hogere frequantie zullen een snellere beweging tonen" #~ msgid "Animation speed set by frequency" #~ msgstr "Animatie snelheid bepaald door frequentie" #~ msgid "Display force &vectors" #~ msgstr "Toon kracht &vectoren" #~ msgid "Surface Type:" #~ msgstr "Oppervlakte Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Laag" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Hoog" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Zeer Hoog" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "Nieuwe Display" #~ msgid "Advanced..." #~ msgstr "Geavanceerd..." #~ msgid "Python Settings" #~ msgstr "Python instellingen" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" OpenChemistry-avogadrolibs-ceb949f/i18n/oc.po000066400000000000000000010702461516317240700212240ustar00rootroot00000000000000# Occitan (post 1500) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Occitan \n" "Language: oc\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Editor de fichièr d'entrada" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Contunhar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Tampar" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Desconegut" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Idrogèn" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Èli" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Liti" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilli" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boròni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbòni" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogèn" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigèn" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sòdi" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnèsi" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumini" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicòn" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfòr" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sofre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Clòr" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassi" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calci" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escandi" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titani" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadi" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Cròme" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganès" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Fèrre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Niquèl" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Coire" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galli" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germani" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selèni" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bròme" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Cripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidi" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estronci" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itri" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zircòni" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niòbi" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdèn" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecnèci" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutèni" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Ròdi" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladi" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmi" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indi" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Estam" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimòni" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telluri" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iòde" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cèsi" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bari" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantani" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Ceri" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Òlmi" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Èrbi" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tuli" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Itèrbi" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutèci" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Afni" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungstèn" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rèni" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Òsmi" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridi" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platini" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Aur" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercuri" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talli" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plomb" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polòni" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Franci" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radi" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actini" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tòri" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactini" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urani" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptuni" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutoni" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Califòrni" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobèli" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubni" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Percórrer" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Totes los fichièrs" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Títol" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basa" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola e baston" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Dessenh animat" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Forçar" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfàcias" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Fial de fèrre" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "sens títol" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tablèu periodic" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Apondre un atòm" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Cambiar un element" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Cambiar un element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Apondre una ligason" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Suprimir una ligason" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Modificar l'òrdre de las ligasons" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Paramètres" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fichièr" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construire" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element :" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Alinhament" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axes :" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Òsca" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Color personalizada…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Segon la carga parciala…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Acids aminats" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vista" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metòde :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Començament" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Arrèst" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamica moleculara" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulacion de las ligasons" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulacion de las ligasons." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Ligason" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Colomna vertebrala" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Dessenh animat" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensions" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Escripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Divèrs…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "&Calcular" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipe" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atòm 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atòm 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atòm 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atòm 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nom de l'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizar" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Copiar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Suprimir" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Optimizacion globala" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradients conjugats" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Dessenhar" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Dessenhar un atòm" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distància :" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Simple" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Cercar dins la PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Cercar dins la PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energia = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Singulet" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estat de transicion" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequéncias" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Pas cap" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Aiga" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singulet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doblet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Mejan" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Idrogèn" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molecula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Inserir un fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserir un fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Colors :" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID unica" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Etiquetas dels atòms :" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacitat :" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Pas cap de descripcion!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mesurar" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dièdre :" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle :" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Moleculara…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Proprietats" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Proprietats de la molecula" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Proprietats de la molecula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigar" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nom quimic" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Configurar lo camp de fòrça…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH :" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Estat" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Editor de fichièr d'entrada" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Metre en pausa" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "fichièrs vidèo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Enregistrar lo fichièr" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valença" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Colors" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atòm" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Atòm de despart" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Atòm d'arribada" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Òrdre de ligason" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "longor (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertèx" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Proprietats dels atòms…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Proprietats de las ligasons…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Proprietats dels angles…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Proprietats dels angles de torsion…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Proprietats" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Proprietats dels atòms" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Proprietats de las ligasons" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Proprietats dels angles" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Proprietats dels angles de torsion" #: qtplugins/propertytables/propertyview.cpp:58 #, fuzzy msgid "Conformer Properties" msgstr "Proprietats dels conformèris" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Seleccionar per residú…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleccionar" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Seleccionar residú" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Seleccionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Seleccion" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infraroge" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "Electronica" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Seleccionar una color de fons" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "BV" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbitala moleculara" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitat electronica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "HOMO" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "LUMO" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Generar las surfàcias…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Calcul de la densitat electronica en cors" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Grop %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Començar l'animacion" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Arrestar l'animacion" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibracion" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Bóstia de dialòg" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulari" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Inserir un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Camp de fòrça :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Òsca !" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "Cargar lo fichièr" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carga Parciala" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipe :" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Apondon" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "D'acòrdi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Escafar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Valors per defaut" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Enregistrar lo fichièr…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Títol :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Òrdre de ligason :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dins :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitat :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Amb :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga :" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Divèrs" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Simple" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Acid aspartic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Acid glutamic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequéncia (N a C) :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Terminasons N :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Terminasons C :" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Origina" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metòde" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Camp de fòrça :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referéncia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Simple" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Contrenchas :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparéncia" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Afichar" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Rèire plan :" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar las donadas" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Tampar" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualitat : " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Febla" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mejana" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Elevada" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Fòrça elevada" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Color :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolucion :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor iso :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Clar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grops" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grop :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud :" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc)" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr" #, fuzzy #~ msgid "Angles:" #~ msgstr "Angle :" #, fuzzy #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Anullar" #~ msgid "°" #~ msgstr "°" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importar..." #, fuzzy #~| msgid "Set Color..." #~ msgid "Set Color..." #~ msgstr "Causir la color..." #~ msgid "&Export..." #~ msgstr "&Exportar..." #~ msgid "&Load data..." #~ msgstr "&Legir las donadas..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Coloriar segon la carga parciala" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacion" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Numèro de l'atòm" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distància" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Numèro de l'atòm" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copiar tot" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molecula" #~ msgid "Chemical Formula:" #~ msgstr "Formula quimica :" #~ msgid "Number of Atoms:" #~ msgstr "Nombre d'atòms :" #~ msgid "Number of Bonds:" #~ msgstr "Nombre de ligasons :" #~ msgid "TODO" #~ msgstr "CAUSAS A FAR" #, fuzzy #~ msgid "In." #~ msgstr "Dins :" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #~ msgid "Other..." #~ msgstr "Autres..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fichièr :" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estructura :" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigar" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigar" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nom de l'element" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Dièdre :" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Molecula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Proprietats dels atòms" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Proprietats de las ligasons" #~ msgid "Angle Properties..." #~ msgstr "Proprietats dels angles..." #~ msgid "Torsion Properties..." #~ msgstr "Proprietats de torsion..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Proprietats de la molecula..." #~ msgid "Insert Fragment..." #~ msgstr "Inserir un fragment..." #~ msgid "Theory:" #~ msgstr "Teoria :" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distància (1->2) : %L1 %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol) :" #~ msgid "Yes" #~ msgstr "Òc" #~ msgid "No" #~ msgstr "Non" #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir un SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir un fragment SMILES" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Inserir un fragment" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #, fuzzy #~ msgid "Stopped" #~ msgstr "Arrèst" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfàcias" #~ msgid "Color by Index" #~ msgstr "Coloriar segon l'indici" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Coloriar segon l'indici (roge, irange, jaune, verd, blau, violet)." #~ msgid "Color by Distance" #~ msgstr "Coloriar segon la distància" #~ msgid "SMARTS Pattern:" #~ msgstr "Estructura SMARTS :" #~ msgid "Engines" #~ msgstr "Motors de rendut" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Hydrogen Bond" #~ msgstr "Ligason Idrogèn" #~ msgid "Polygon" #~ msgstr "Poligòn" #~ msgid "Ring" #~ msgstr "Sonariá" #~ msgid "Simple Wireframe" #~ msgstr "Fial de fèrre" #~ msgid "Stick" #~ msgstr "Bastons" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, surfàcia iso = %L2" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Animation..." #~ msgstr "Animacion..." #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'atòms : %1" #~ msgid "Trajectory..." #~ msgstr "Trajectòria..." #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fichièrs de quimia (*.xyz)" #~ msgid "Calculate Energy" #~ msgstr "Calcular l'energia" #~ msgid "Constraints..." #~ msgstr "Contrenchas..." #~ msgid "ForceField" #~ msgstr "Camp de fòrça" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Fetch by chemical name..." #~ msgstr "Telecargar per nom quimic..." #~ msgid "Fetch from URL..." #~ msgstr "Recuperacion dempuèi l'URL…" #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB de telecargar" #~ msgid "URL" #~ msgstr "Adreça Internet" #~ msgid "Show Preview" #~ msgstr "Afichar l'apercebut" #~ msgid "Hide Preview" #~ msgstr "Amagar l'apercebut" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Enregistrar l'imatge POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fichièr d'imatges (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "Does not compute." #~ msgstr "Error de calcul." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "QM Matches" #~ msgstr "Resultats MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Seleccion PEF..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Seleccion MQ..." #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversion SMILES pas disponibla" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversion de format SMILES pas disponibla !" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crear los fichièrs d'entrada per GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Paramètres avançats modificats" #~ msgid "Advanced Settings Reset" #~ msgstr "Reïnicializar los paramètes avançats" #~ msgid "Gaussian Input Deck" #~ msgstr "Taula d'entrada Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Calcul Gaussian en cors." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian es pas installat." #~ msgid "Running Gaussian calculation..." #~ msgstr "Calcul Gaussian en cors..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWCHEM..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck" #~ msgstr "Fichièr de donadas Molpro" #~ msgid "MOPAC Input Deck" #~ msgstr "Fichièr de donadas MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Calcul MOPAC en cors." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC es pas installat." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Impossible de trobar l'executable de MOPAC." #~ msgid "Running MOPAC calculation..." #~ msgstr "Calcul MOPAC en cors..." #~ msgid "NWChem Input Deck" #~ msgstr "Fichièr de donadas NWChem" #~ msgid "QChem Input Deck" #~ msgstr "Fichièr de donadas Q-Chem" #~ msgid "Select SMARTS..." #~ msgstr "Seleccionar SMARTS..." #~ msgid "SMARTS Selection" #~ msgstr "Seleccion SMARTS" #~ msgid "Selections" #~ msgstr "Seleccions" #~ msgid "GLSL Shaders..." #~ msgstr "Texturas GLSL..." #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fichièrs d'ombratge de fragment (*.frag)" #~ msgid "GLSL Shaders" #~ msgstr "Ombratges GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitat (unitats arb.)" #~ msgid "Activity" #~ msgstr "Activitat" #~ msgid "X Axis" #~ msgstr "Axe X" #~ msgid "Y Axis" #~ msgstr "Axe Y" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&CD Settings" #~ msgstr "&Paramètres DC" #~ msgid "&Raman Settings" #~ msgstr "&Paramètres Raman" #~ msgid "No data" #~ msgstr "Pas de donadas" #~ msgid "Dark" #~ msgstr "Escur" #~ msgid "Publication" #~ msgstr "Publicacion" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extension desconeguda : %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Donadas IR PWscf (*.out)" #~ msgid "Data Format" #~ msgstr "Format de las donadas" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format :" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "tiff" #~ msgid "Windows Bitmap" #~ msgstr "bmp" #~ msgid "Portable Pixmap" #~ msgstr "ppm" #~ msgid "X11 Bitmap" #~ msgstr "xbm" #~ msgid "X11 Pixmap" #~ msgstr "xpm" #~ msgid "&Advanced <<" #~ msgstr "&Avançats >>" #~ msgid "&Advanced >>" #~ msgstr "&Avançat >>" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitalas molecularas..." #~ msgid "Orbitals" #~ msgstr "Orbitalas" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Pas res" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densitat electronica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipe pas definit" #~ msgid "Calculating VdW Cube" #~ msgstr "Calcul d'un cub WdW en cors" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Building video " #~ msgstr "Generacion de la vidèo " #~ msgid "Could not run mencoder." #~ msgstr "Impossible d'aviar memcoder" #~ msgid "Connect" #~ msgstr "Connectar" #~ msgid "Disconnect" #~ msgstr "Desconnectar" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Seguiment Wii" #~ msgid "Debug Information" #~ msgstr "Informacions de desbugatge" #~ msgid "FPS: %L1" #~ msgstr "FPS : %L1" #~ msgid "Atoms: %L1" #~ msgstr "Atòms : %L1" #~ msgid "Molecule %1" #~ msgstr "Molecula%1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid " - no module" #~ msgstr " - pas cap de modul" #~ msgid "Unknown Python Extension" #~ msgstr "Extension Python desconeguda" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension : verificacion " #~ msgid "Tools" #~ msgstr "Aisinas" #~ msgid "Align:" #~ msgstr "Alinhar :" #~ msgid "Everything" #~ msgstr "Tot" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt : E = %1 %2 (dE = %3)" #~ msgid "Algorithm:" #~ msgstr "Algoritme :" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamica moleculara (900K)" #~ msgid "x rotation:" #~ msgstr "rotacion segon x :" #~ msgid "x rotation" #~ msgstr "rotacion segon x" #~ msgid "y rotation:" #~ msgstr "rotacion segon y :" #~ msgid "y rotation" #~ msgstr "rotacion segon y" #~ msgid "z rotation:" #~ msgstr "rotacion segon z :" #~ msgid "z rotation" #~ msgstr "rotacion segon z" #~ msgid "AutoRotate Settings" #~ msgstr "Paramètres de rotacion automatica" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longor de ligason : %L1" #~ msgid " Show Angles" #~ msgstr " Afichar los angles" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distància (2->3) : %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distància (3->4) : %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdre : %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distància(s) :" #~ msgid "Draw Bond" #~ msgstr "Dessenhar una ligason" #~ msgid "Draw Settings" #~ msgstr "Paramètres de dessenh" #~ msgid "Manipulate Settings" #~ msgstr "Paramètres de manipulacion" #~ msgid "Navigate Settings" #~ msgstr "Paramètres de navigacion" #~ msgid "Atom/Bond" #~ msgstr "Atòm/Ligason" #~ msgid "Symbol" #~ msgstr "Simbòl" #~ msgid "Z-Matrix" #~ msgstr "Matritz Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Paramètres de matritz Z" #~ msgid "Axes:" #~ msgstr "Axes :" #~ msgid "Cartesian Axes" #~ msgstr "Axes cartesians" #~ msgid "Orthogonal Axes" #~ msgstr "Axes ortogonals" #~ msgid "Axis 1:" #~ msgstr "Axe 1 :" #~ msgid "Axis 2:" #~ msgstr "Axe 2 :" #~ msgid "Axis 3:" #~ msgstr "Axe 3 :" #~ msgid "Norm" #~ msgstr "Nòrma" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "En bocla" #~ msgid "Dipole:" #~ msgstr "Dipòl :" #~ msgid "Custom Vector" #~ msgstr "Vector personalizat" #~ msgid "Custom:" #~ msgstr "Personalizada :" #~ msgid "TextRenderer" #~ msgstr "Rendut textual" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Tèxte :" #~ msgid "Residue number" #~ msgstr "Numèro del residú" #~ msgid "Change Font" #~ msgstr "Modificar la poliça" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Radius:" #~ msgstr "Rai :" #~ msgid "VdW Opacity:" #~ msgstr "Opacitat VdW :" #~ msgid "Render:" #~ msgstr "Rendut :" #~ msgid "Points" #~ msgstr "Punts" #~ msgid "Draw Box:" #~ msgstr "Bóstia de dessenh :" #~ msgid "Positive" #~ msgstr "Positiva" #~ msgid "Negative" #~ msgstr "Negativa" #~ msgid "Show Atoms" #~ msgstr "Afichar los atòms" #~ msgid "Animate Trajectory" #~ msgstr "Trajectòria d'animacion" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "En bocla" #~ msgid "Save as .avi..." #~ msgstr "Enregistrar en .avi..." #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrada Priroda" #~ msgid "Apply Changes" #~ msgstr "Aplicar los cambiaments" #~ msgid "Cut All" #~ msgstr "Copar tot" #~ msgid "Paste to the End" #~ msgstr "Pegar a la fin" #~ msgid "(None)" #~ msgstr "(Pas cap)" #~ msgid "Number of atoms:" #~ msgstr "Nombre d'atòms :" #~ msgid "Ignore Atom" #~ msgstr "Ignorar atòm" #~ msgid "Fix Atom" #~ msgstr "Fixar atòm" #~ msgid "Fix Atom X" #~ msgstr "Fixar atòm X" #~ msgid "Fix Atom Y" #~ msgstr "Fixar atòm Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixar atòm Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsion" #~ msgid "Save" #~ msgstr "Salvar" #~ msgid "Load" #~ msgstr "Cargar" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "All" #~ msgstr "Totes / Totas" #~ msgid "File Import..." #~ msgstr "Importacion de fichièr..." #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre de passes" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "L" #~ msgstr "G" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Phi:" #~ msgstr "Fi :" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Nombre de residús :" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolar (D) :" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançat" #~ msgid "Grid" #~ msgstr "Grasilha" #~ msgid "Select..." #~ msgstr "Seleccionar..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Path:" #~ msgstr "Camin :" #~ msgid "Compute..." #~ msgstr "Calcular..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estil Pople" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Dirècte" #~ msgid "Parallel" #~ msgstr "Parallèl" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "normal" #~ msgstr "normala" #~ msgid "fine" #~ msgstr "fina" #~ msgid "ultrafine" #~ msgstr "fòrça fina" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Property:" #~ msgstr "Proprietat :" #~ msgid "Polarizability" #~ msgstr "Polarizabilitat" #~ msgid "EFP Matches" #~ msgstr "Resultats PEF" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuracion &avançada" #~ msgid "System" #~ msgstr "Sistèma" #~ msgid "MO Guess" #~ msgstr "Estimacion MO" #~ msgid "Misc" #~ msgstr "Divèrs" #~ msgid "Read" #~ msgstr "Lectura" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipe ECP :" #~ msgid "Default" #~ msgstr "Valor per defaut" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "Gradient" #~ msgstr "Degradat" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "CI:" #~ msgstr "CI :" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinant Ames Lab" #~ msgid "CI Singles" #~ msgstr "Singletons CI" #~ msgid "CC:" #~ msgstr "CC :" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Check" #~ msgstr "Verificacion" #~ msgid "Debug" #~ msgstr "Desbugatge" #~ msgid "Use MP2" #~ msgstr "Utilizar MP2" #~ msgid "Use DFT" #~ msgstr "Utilizar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Nombre de variablas de matritz Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Minutes" #~ msgstr "Minutas" #~ msgid "Hours" #~ msgstr "Oras" #~ msgid "Days" #~ msgstr "Jorns" #~ msgid "Weeks" #~ msgstr "Setmanas" #~ msgid "Years" #~ msgstr "Annadas" #~ msgid "Millenia" #~ msgstr "Millenis" #~ msgid "MegaWords" #~ msgstr "Megamots" #~ msgid "MegaBytes" #~ msgstr "Megaoctets" #~ msgid "GigaWords" #~ msgstr "Gigamots" #~ msgid "GigaBytes" #~ msgstr "Gigaoctets" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI :" #~ msgid "Memory:" #~ msgstr "Memòria :" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "En bocla" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Lectura MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO enregistrat (DICTNRY)" #~ msgid "Skip" #~ msgstr "Passar al seguent" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Direct SCF" #~ msgstr "SCF dirècte" #~ msgid "words" #~ msgstr "mots" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial:" #~ msgstr "Inicial :" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Z-matrix" #~ msgstr "Matritz Z" #~ msgid "Gaussian Input" #~ msgstr "Entrada Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estandard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint :" #~ msgid "Z-matrix (compact)" #~ msgstr "Matritz Z compacta" #~ msgid "MOLPRO Input" #~ msgstr "Donadas MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Version de Molpro :" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintuplet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Shader Name:" #~ msgstr "Nom de l'ombratge :" #~ msgid "Fragment Shader:" #~ msgstr "Ombratge de fragment :" #~ msgid "Display Type:" #~ msgstr "Tipe d'afichatge :" #~ msgid "New..." #~ msgstr "Novèl..." #~ msgid "Rename..." #~ msgstr "Tornar nomenar..." #~ msgid "&Schemes:" #~ msgstr "&Projèctes :" #~ msgid "&DPI:" #~ msgstr "&DPI :" #~ msgid "&Width:" #~ msgstr "&Largor :" #~ msgid "&Height" #~ msgstr "&Nautor" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "po" #~ msgid "States / Atom" #~ msgstr "Estats/atòm" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "Relative" #~ msgstr "Relatiu" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activitat (A^4/amu)" #~ msgid "&Recalculate All" #~ msgstr "Recalcular &tot" #~ msgid "Default &Quality:" #~ msgstr "&Qualitat per defaut :" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Bassa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mejana" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Elevada" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Fòrça elevada" #~ msgid "Advanced..." #~ msgstr "Avançat..." #~ msgid "Python Settings" #~ msgstr "Paramètres de python" OpenChemistry-avogadrolibs-ceb949f/i18n/pl.po000066400000000000000000010244761516317240700212420ustar00rootroot00000000000000# Polish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Urszula , 2021. # Dominik Florjan , 2022. # Jakub Brzeski , 2023. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Polish \n" "Language: pl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n==1 ? 0 : n%10>=2 && n%10<=4 && (n%100<10 " "|| n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Zadanie #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nie określono komunikatu." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Plik referencyjny '%1' nie istnieje." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Błąd podczas zapisywania do pliku %1:%2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Plik '%1' słabo sformatowany. Brakuje ciągu znaków w polach 'contents' oraz " "'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Zamknij" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Nieznany" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Brak zdefiniowanej cząsteczki w BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Brak Io::FileFormat ustawiony w BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nie ustawiono nazwy pliku w BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Wodór" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hel" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lit" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryl" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Węgiel" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Tlen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sód" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnez" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Glin" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Krzem" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Siarka" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potas" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Wapń" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skand" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Tytan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Wanad" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chrom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Żelazo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikiel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Miedź" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Cynk" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gal" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "German" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubid" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stront" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itr" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Cyrkon" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technet" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruten" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rod" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Pallad" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadm" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Ind" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Cyna" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antymon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cez" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bar" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cer" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Prazeodym" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promet" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samar" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europ" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolin" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terb" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysproz" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holm" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erb" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tul" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterb" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutet" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafn" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Ren" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osm" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iryd" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Złoto" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Rtęć" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tal" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Ołów" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polon" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Frans" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Rad" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktyn" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tor" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktyn" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptun" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Pluton" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Ameryk" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kiur" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkel" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kaliforn" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einstein" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Ferm" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelew" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobel" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lorens" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherford" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubn" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborg" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Borium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Has" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitner" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Samar" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgen" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernik" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihon" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerow" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskow" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Liwermor" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenes" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Przeglądaj" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Wszystkie pliki" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kule i pałeczki" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etykieta" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Powierzchnie" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "bez nazwy" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Układ okresowy" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Usuń atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Dopasuj wodory" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Zmień pierwiastek" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Zmień pierwiastek" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Dodaj wiązanie" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Usuń wiązanie" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Przyciągnięcie do wiązań" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Plik" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Eksportuj" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Buduj" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Pierwiastek:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Wyrównaj" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Oś:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Błąd" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Błąd" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Sukces" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Nie można było zapisać pliku %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Kolor użytkownika…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Pierwiastek" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Widok" #: qtplugins/applycolors/applycolors.cpp:153 #, fuzzy msgid "Color Atoms" msgstr "Pokaż atomy" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Dynamika cząsteczek" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulacja przy wiązaniach" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulacja przy wiązaniach." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Wiązanie" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Wstążka" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Maksymalna odległość:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Rozszerzenia" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Skrypty" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Oblicz" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nazwa pierwiastka." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Symbol pierwiastka." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopiuj" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Wytnij" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Usuń" #: qtplugins/copypaste/copypaste.cpp:37 #, fuzzy msgid "&Paste" msgstr "Wklej" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mechanika molekularna" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Rysowanie" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Rysuj atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Odległość:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Pojedyncze" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Podwójne" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Potrójne" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importuj" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Pobierz z PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Pobierz z PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Energia pojedynczego punktu" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Częstotliwości" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Woda" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutralny" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Dopasuj wodory" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Dodaj wodory" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Usuń wodory" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Wodory" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Wodory" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Wstaw" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekularne…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Wpisz fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Kolory:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Pierwiastek" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Brak opisu!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Pomiary" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekularne…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "Właściwości" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Właściwości molekularne" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Właściwości molekuły" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Eksportuj CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Nie można otworzyć pliku do zapisu." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Eksportuj…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Narzędzie do nawigacji" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj wodory, aby uzyskać podane pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Usuń wodory" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj wodory (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj wodory, aby uzyskać podane pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Usuń wodory (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Dynamiczne wiązania" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Eksportuj grafikę wektorową" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "pliki wideo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Zapisz plik" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Wartościowość" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Kolory" #: qtplugins/propertytables/propertymodel.cpp:657 #, fuzzy msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Atom końcowy" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Kolejność wiązań" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Długość (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Kąt (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Właściwości atomu…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Właściowści wiązań…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Właściowści kątów…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Właściwości" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Właściwości atomu" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Właściowści wiązań" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Właściowści kątów" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Wyśrodkuj" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Zaznacz wszystko" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Usuń zaznaczenie" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Zaznacz" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Zaznacz" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Podczerwień" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Grupy %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Rozpocznij animację" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Zatrzymaj animację" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Wibracja" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Wpisz fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Pole sił:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sukces!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "Wczytaj plik" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Dodaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Wklej" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Wyczyść" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Zastosuj" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Zapisz plik…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tytuł:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Kolejność wiązań:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nazwa" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Pojedyncze" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Podwójne" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Pole sił:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Pojedyncze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Podwójne" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ograniczenia:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Wygląd" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Eksportuj dane" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Średnia" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Kolory:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Oblicz" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Wyśrodkuj" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupy" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupa:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andrzej MoST (Marcin Ostajewski),Roman " "Skrzypiński, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison, ,Launchpad " "Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof " "Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff " "Hutchison,Krzysztof Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz " "Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ,Launchpad " "Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof " "Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff " "Hutchison,Krzysztof Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz " "Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ,Launchpad " "Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof " "Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff " "Hutchison,Krzysztof Wittek,Mateusz Pogorzelski,december0123, ,Launchpad " "Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof " "Wittek,Mateusz Pogorzelski,december0123, ,Launchpad Contributions:,Avogadro " "Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof Wittek,Mateusz " "Pogorzelski,december0123" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,romano473@gmail.com,,,avogadro-devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,pogoma@o2.pl,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,pogoma@o2.pl,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,pogoma@o2.pl," #, fuzzy #~ msgid "Angles:" #~ msgstr "Kąt:" #~ msgid "Cancel" #~ msgstr "Anuluj" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~| msgid "&Import" #~ msgid "&Import..." #~ msgstr "&Importuj…" #, fuzzy #~ msgid "&Export..." #~ msgstr "&Eksportuj..." #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Ładunek" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacja" #, fuzzy #~ msgid "By Distance" #~ msgstr "Odległość" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Pierwiastek" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopiuj" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Dynamika cząsteczek (600K)" #, fuzzy #~ msgid "Fragment…" #~ msgstr "Wpisz fragment SMILES:" #, fuzzy #~ msgid "Filename" #~ msgstr "Nazwa pliku:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nazwa pierwiastka" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Wszystkie pliki" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj wodory, aby uzyskać podane pH..." #~ msgid "Atom Properties..." #~ msgstr "Włąściwości atomu..." #~ msgid "Bond Properties..." #~ msgstr "Właściwości wiązania..." #~ msgid "Angle Properties..." #~ msgstr "Właściwości kątów..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Właściowści wiązań" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Właściwości molekuły..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Odległość" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Kąt %1" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Importuj" #~ msgid "Insert SMILES" #~ msgstr "Wstaw ze SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Wpisz fragment SMILES:" #~ msgid "E&xtensions" #~ msgstr "&Rozszerzenia" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Dodaj wodory" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Powierzchnie" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Koloruj po indeksie (czerwony, pomarańczowy, żółty, zielony, niebieski, " #~ "fioletowy)." #~ msgid "Custom Color:" #~ msgstr "Kolor użytkownika:" #~ msgid "Set custom colors for objects" #~ msgstr "Ustaw niestandardowe kolory dla obiektów" #~ msgid "Color by Distance" #~ msgstr "Koloruj po odległości" #~ msgid "Color by distance from the first atom." #~ msgstr "Koloruj po odległości od pierwszego atomu." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Koloruj po pierwiastkach (węgiel = szary, tlen = czerwony, ...)." #~ msgid "Highlight Color:" #~ msgstr "Kolor podświetlenia:" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Silniki" #~ msgid "Axes" #~ msgstr "Osie" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Ułóż cząsteczki używając kuleczek (atomy) oraz pałeczek (wiązania)" #~ msgid "Hydrogen Bond" #~ msgstr "Wiązanie wodorowe" #~ msgid "Polygon" #~ msgstr "Wielokąt" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderuj szkielet proteiny jako wstążkę" #~ msgid "Van der Waals Spheres" #~ msgstr "Sfery Van der Waalsa" #~ msgid "Stick" #~ msgstr "Pałeczki" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Dodawanie rozszerzenia .avi" #~ msgid "Animation..." #~ msgstr "Animacja..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Nie można odczytać formatu pliku %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Odczytanie pliku trajektorii %1 nie powiodło się." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Musisz podać poprawną nazwę pliku .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animuj trajektorie, reakcje i wibracje." #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Liczba wiązań możliwych do rotacji: %1" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Twoja molekuła musi zawierać co najmniej dwa atomy, aby dodać " #~ "ograniczenie wiązania" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Twoja molekuła musi zawierać co najmniej trzy atomy, aby dodać " #~ "ograniczenie kąta" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Twoja molekuła musi zawierać co najmniej cztery atomy, aby dodać " #~ "ograniczenie skrętu" #~ msgid "Trajectory..." #~ msgstr "Trajektoria..." #~ msgid "Import trajectory files" #~ msgstr "Importuj pliki trajektorii" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Przekształć wodory na grupy metylowe" #~ msgid "Add or remove hydrogens" #~ msgstr "Dodaj lub usuń wodory" #~ msgid "Peptide..." #~ msgstr "Peptydy..." #~ msgid "Fetch from URL..." #~ msgstr "Pobierz z adresu URL..." #~ msgid "URL" #~ msgstr "Adres URL" #~ msgid "Show Preview" #~ msgstr "Pokaż podgląd" #~ msgid "Hide Preview" #~ msgstr "Ukryj podgląd" #~ msgid "No valid filename was supplied." #~ msgstr "Podano nie poprawną nazwę pliku." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nie można zapisać pliku %1. Jesteś pewny, że masz uprawnienia, aby " #~ "zapisywać pliki w tej lokalizacji?" #~ msgid "You must make a selection!" #~ msgstr "Musisz coś zaznaczyć!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Konwersja do SMILES niedostępna" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Konwersja do formatu SMILES jest niedostępna!" #~ msgid ")" #~ msgstr ")" #~ msgid "Advanced Settings Changed" #~ msgstr "Zmieniono ustawienia zaawansowane" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Ustawienia zaawansowane uległy zmianie.\n" #~ "Odrzucić zmiany?" #~ msgid "Advanced Settings Reset" #~ msgstr "Przywrócenie ustawień zaawansowanych" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Czy na pewno chcesz przywrócić ustawienia zaawansowane?\n" #~ "Wszystkie zmiany zostaną utracone!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Czy na pewno chcesz przywrócić ustawienia podstawowe?\n" #~ "Wszystkie zmiany zostaną utracone!" #~ msgid "There is no current selection." #~ msgstr "Aktualnie nic nie ejst zaznaczone." #~ msgid "Name cannot be empty." #~ msgstr "Nazwa nie może być pusta." #~ msgid "There is already a selection with this name." #~ msgstr "Istnieje już zaznaczenie o tej nazwie" #~ msgid "X Axis" #~ msgstr "Oś X" #~ msgid "Y Axis" #~ msgstr "Oś Y" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Błąd - niezdefiniowany typ" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Błędny kontekst OpenGL.\n" #~ "Coś jest całkowicie zepsute w konfiguracji OpenGL na tym komputerze - czy " #~ "można uruchomić jakikolwiek program używający OpenGL?Jeśli tak, to " #~ "znalazłeś błąd." #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "Atoms: %L1" #~ msgstr "Atomy: %L1" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Nie można otworzyć pliku '%1' do odczytu." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Plik %1 nie może być otwarty do odczytu." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Plik %1 nie może być otwarty do zapisu." #~ msgid "Unknown Python Tool" #~ msgstr "Nieznane narzędzie Pythona" #~ msgid "Tools" #~ msgstr "Narzędzia" #~ msgid "Align:" #~ msgstr "Wyrównaj:" #~ msgid "Everything" #~ msgstr "Wszystko" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Nie można ustawić pola sił..." #~ msgid "Steps per Update:" #~ msgstr "Kroki na uaktualnienie:" #~ msgid "Algorithm:" #~ msgstr "Algorytm:" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dynamika cząsteczek (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Można poruszać stałymi atomami" #~ msgid "Ignored atoms are movable" #~ msgstr "Można poruszać zignorowanymi atomami" #~ msgid "Auto Rotation Tool" #~ msgstr "Narzędzie automatycznego obrotu" #~ msgid "x rotation:" #~ msgstr "obrót względem osi x:" #~ msgid "x rotation" #~ msgstr "obrót względem osi x" #~ msgid "y rotation:" #~ msgstr "obrót względem osi Y" #~ msgid "y rotation" #~ msgstr "obrót względem osi Y" #~ msgid "z rotation:" #~ msgstr "obrót względem osi Z:" #~ msgid "z rotation" #~ msgstr "obrót względem osi Z" #~ msgid " Show Angles" #~ msgstr " Pokaż kąty" #~ msgid "Distance(s):" #~ msgstr "Odległość:" #~ msgid "Draw Bond" #~ msgstr "Rysuj wiązanie" #~ msgid "Shape" #~ msgstr "Kształt" #~ msgid "Loop" #~ msgstr "Zapętlaj" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Bond order" #~ msgstr "Kolejność wiązań" #~ msgid "Fill" #~ msgstr "Wypełnienie" #~ msgid "Points" #~ msgstr "Punkty" #~ msgid "Positive" #~ msgstr "Pozytyw" #~ msgid "Negative" #~ msgstr "Negatyw" #~ msgid "Animate Trajectory" #~ msgstr "Animuj trajektorię" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Zapętlaj" #~ msgid "Save as .avi..." #~ msgstr "Zapisz jako .avi..." #~ msgid "Number of rotatable bonds:" #~ msgstr "Liczba wiązań możliwych do rotacji:" #~ msgid "Ignore Atom" #~ msgstr "Ignoruj atom" #~ msgid "Save" #~ msgstr "Zapisz" #~ msgid "Load" #~ msgstr "Wczytaj" #~ msgid "File Import..." #~ msgstr "Import pliku..." #~ msgid "Algorithm" #~ msgstr "Algorytm" #~ msgid "Advanced" #~ msgstr "Zaawansowane" #~ msgid "&Advanced Setup" #~ msgstr "&Zaawansowane ustawienia" #~ msgid "Minutes" #~ msgstr "Minuty" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Z Matrix Editor" #~ msgstr "Edytor macierzy Z" OpenChemistry-avogadrolibs-ceb949f/i18n/pt.po000066400000000000000000012516641516317240700212530ustar00rootroot00000000000000# Portuguese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Editor Do Sonic BR , 2020. # ssantos , 2020, 2021, 2023, 2024, 2025, 2026. # Joana Vieira , 2020. # João Tiago Antunes , 2020. # Andre Azevedo , 2021. # Gustavo Sousa Jr , 2022. # Eisuke Kawashima , 2024, 2025, 2026. # Alexandre R Soares , 2024, 2025. # LibreTranslate , 2026. # Weblate Translation Memory , 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-08 15:53+0000\n" "Last-Translator: LibreTranslate \n" "Language-Team: Portuguese \n" "Language: pt\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Trabalho por lotes #1%L1 (2%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nenhuma mensagem especificada." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script -- as opções de impressão devem ser um objecto JSON ao nível " "superior. Recebido:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Aviso não-cadeia retornado." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Membro 'warnings' não é um array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "O ficheiro de referência '%1' não existe." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Erro a preencher o ficheiro %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Ficheiro '%1' mal formado. Falta de 'contents' ou membros 'filePath' de " "cadeia." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entrada de ficheiro malformada: nome do ficheiro / conteúdo ausente ou sem " "cadeias:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entrada de ficheiro malformada no índice %1: não é um objeto." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "Membro 'files' não é um array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Membro 'files' faltando." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "O membro 'mainFile' não se refere a uma entrada em 'arquivos'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "O membro 'mainFile' deve ser uma cadeia." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "A resposta deve ser um objeto JSON de nível superior." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Resultado do script:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro de análise no deslocamento %L1: '%2'\n" "JSON bruto:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao salvar a representação da molécula como cadeia: Formato de ficheiro " "não reconhecido: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Erro ao salvar a representação da molécula como cadeia: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro ao gerar objeto cjson: Erro de análise no deslocamento %1: %2\n" "JSON bruto (raw):\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Objeto cjson gerador de erros: JSON analisado não é um objeto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Gerador de Input (erro)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "Gerador de input para o %1" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fe&char" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Desconhecido(a)" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "O seguinte ficheiro foi modificado:\n" "\n" "%1\n" "\n" "Gostaria de substituir as suas alterações para refletir a nova geometria ou " "opções de trabalho?" msgstr[1] "" "Os seguintes ficheiros foram modificados:\n" "\n" "%1\n" "\n" "Gostaria de substituir as suas alterações para refletir a nova geometria ou " "opções de trabalho?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Substituir ficheiros de entrada modificados?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Problemas ocorridos ao gerar a entrada:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Sem ficheiros de entrada para guardar!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Não é possível conectar ao MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Não é possível conectar ao servidor MoleQueue. Certifique-se de que está " "funcionando e tente novamente." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Submeter %1 Cálculo" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Trabalho falhado" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "O trabalho não foi concluído com sucesso." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script devolve avisos:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Ocultar &Avisos" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Exibir &Avisos" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Ocorreu um erro:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Selecione o nome do ficheiro de saída" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Erro interno: não foi possível encontrar widget de texto para o nome de " "ficheiro '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Erro de Saída" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Falha ao gravar o ficheiro %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Escolha diretório de saída" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Diretório inexistente!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Diretório ilegível!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: O ficheiro será sobrescrito." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: O ficheiro não pode ser escrito." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Os ficheiros de entrada não podem ser gravados devido a um erro desconhecido." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Os ficheiros de entrada não podem ser gravados:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Os ficheiros de entrada não podem ser gravados:\n" "\n" "%1\n" "\n" "Avisos:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Aviso:\n" "\n" "%1\n" "\n" "Deseja continuar?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Gravar ficheiros de entrada" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configurar trabalho" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Enviar trabalho para MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Tempo Limite de Envio de Trabalho" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro esgotou o tempo aguardando uma resposta de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Esperando o trabalho %1 '%2' para terminar…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Parar de esperar" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Obtendo informações sobre o trabalho concluído…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Tempo Limite de Recuperação de Trabalho" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro esgotou o tempo aguardando os detalhes do trabalho concluído de " "MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Erro ao submeter trabalho" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "O trabalho foi recusado por MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nenhum programa selecionado." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Selecione o programa de destino na lista \"Fila e Programa\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "O cliente falhou ao enviar o trabalho para MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Erro interno." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Incapaz de resolver a seleção de programas. Isto é um erro." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nenhuma molécula definida em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nenhum Io::FileFormat definido em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nenhum nome de ficheiro definido em BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Dividir na Horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Dividir na Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogénio" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hélio" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lítio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berílio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azoto" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigénio" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Néon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sódio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnésio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumínio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silício" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Enxofre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Árgon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potássio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Cálcio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escândio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titânio" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanádio" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Crómio" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganésio" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinco" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gálio" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germânio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsénio" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selénio" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Crípton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubídio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estrôncio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ítrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zircónio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Nióbio" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdénio" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecnécio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruténio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Ródio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paládio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Prata" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cádmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Índio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Zinco" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimónio" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telúrio" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xénon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Césio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bário" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantânio" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cério" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodímio" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodímio" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promécio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samário" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Európio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolínio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Térbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprósio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Hólmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Érbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Túlio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Itérbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutécio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Háfnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tântalo" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsténio" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rénio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Ósmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Irídio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Ouro" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercúrio" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tálio" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Chumbo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polónio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Ástato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Rádon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Frâncio" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Rádio" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actínio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tório" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactínio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urânio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptúnio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutónio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerício" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Cúrio" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berquélio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Califórnio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsténio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Férmio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelévio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobélio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurêncio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfórdio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dúbnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seabórgio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bóhrio" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hássio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnério" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstádio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgénio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernício" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihônio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleróvio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscóvio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermório" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Procurar" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Selecionar ficheiro:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Selecionar executável:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Incapaz de encontrar um leitor de ficheiros adequado para o ficheiro " "seleccionado." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "A extensão do ficheiro está faltando, então o formato do ficheiro não pôde " "ser determinado. Quer adicioná-la?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Não foi possível encontrar um gravador de ficheiro adequado para o formato " "selecionado." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipuladores" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "lidar" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "leitores" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "ler" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "escritores" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "escrever" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Vários %1 encontrados que podem %2 este formato. Qual deve ser usado?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Todos os ficheiros" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Todos os formatos suportados" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Erro ao ler a representação da molécula: Formato de ficheiro não " "reconhecido: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "Mensagem %1" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao gravar a representação da molécula como cadeia: Formato de ficheiro " "não reconhecido: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Erro ao gravar a representação da molécula como cadeia: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' faltando." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Não foi possível encontrar a opção '%1'." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' não é uma cadeia para a opção '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Base do nome do ficheiro" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Processadores" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memória" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Tipo de Cálculo" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Nível de Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Carga" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicidade" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvente" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Modelo" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Palavra-passe" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tipo de opção não reconhecido '%1' para a opção '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Erro ao definir o padrão para a opção '%1'. Tipo de widget inválido." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Erro ao definir padrão para a opção '%1'. Valor padrão ruim:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Erro ao definir o padrão para a opção '%1'. Não foi possível encontrar um " "índice de entrada de combinação válido a partir do valor:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Widget não tratado em collectOptions para a opção '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[sem molécula]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Camada %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bolas e Paus" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Desenho animado" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Fechar contatos" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Rede de Cristal" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Rótulos" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 #, fuzzy msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Bastão" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Não-Covalente" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementos de Simetria" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy #| msgid "Van der Waals (AO)" msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (OA)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Modelo de Arame" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Sem título" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Editar molécula" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Não salvo" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Criar uma nova visão" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabela Periódica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar o " "início (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Erro ao executar o script '%1 %2': falha ao gravar em stdin (len= %3, gravou " "%4 bytes, erro QProcess: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar " "conclusão (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Erro ao executar o script '%1 %2': status de saída anormal %3 (%4: %5)\n" "\n" "Resultado:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Alerta '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Script falhou ao iniciar." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "O código falhou." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "O script expirou." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Erro de leitura." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Erro de escrita." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Erro desconhecido." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificar Camadas" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remover Camadas" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remover Info da Camada" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Adicionar Camada" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Adicionar camada de informação" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Trocar Camada" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Adicionar um Átomo" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Remover Átomo" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Limpar Átomos" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajustar os Hidrogénios" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Trocar Elementos" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Modificar o Elemento" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Alterar Hibridização do Átomo" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Mudar Carga Formal do Átomo" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Mudar Cor do Átomo" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Adicionar uma Ligação" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Ligação Removida" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Apagar Ligações" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Definir Ordens de Ligação" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Modificar a Ordem de Ligação" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Atualizar Ligações" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Atualizar Ligação" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Remover Célula Unitária" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Editar Célula Unitária" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Envolver Átomos na Célula" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Redimensionar Volume da Célula" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Construir Supercélula" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Redução Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rodar para Orientação Padrão" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Reduzir à Célula Primitiva" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Convencionalizar Célula" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Simetrizar Célula" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Preencher Célula Unitária" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduzir a Unidade Assimétrica" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Mudar Posições dos Átomos" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Mudar Posição do Átomo" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Mudar Rótulo do Átomo" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Mudar Seleção" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificar Molécula" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Configurações" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 #, fuzzy msgid "3DMol HTML Block." msgstr "Bloco HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Ficheiro" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construir" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Mudar elementos dos átomos." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Alinhar" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Eixo:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Alinhar na Origem" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Alinhar ao Eixo" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centralizar o átomo na origem." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Girar a molécula para alinhar o átomo com o eixo especificado." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinhar moléculas com o eixo Cartesiano" #: qtplugins/apbs/apbs.cpp:32 #, fuzzy msgid "Run APBS…" msgstr "Executar APBS…" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Abrir Ficheiro de Saída…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Entrada" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Abrir Ficheiro de Saída" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Ficheiro OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Erro de Entrada/Saída" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Problema ao ler a estrutura do ficheiro (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Erro OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Erro ao ler ficheiro OpenDX: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Erro ao ler ficheiro OpenDX: Nenhum cubo encontrado" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagir com utilitários APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Abrir Ficheiro PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Ficheiros PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Abrir Ficheiro PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Ficheiros PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Erro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Erro ao executar APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Especifique o ficheiro PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Sucesso" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Gravar Ficheiro de Entrada APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Entrada APBS (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Ficheiro de entrada gravado em %1" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Não foi possível gravar o ficheiro %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Por Cor Personalizada…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Por Índice Atômico…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Por Distância…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Por Elemento" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Pela Cadeia" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Pela Carga Parcial…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Por Estrutura Secundária" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Por Aminoácidos" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Cinzento" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Espectro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Equilibrar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Azul-VermelhoEscuro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Aplicar o esquema de cores aos átomos e resíduos." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Ver" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Cor resíduo" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Mapa de Cores:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimize Geometry" msgid "Optimize" msgstr "Otimizar" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinâmico" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Intervalo de tempo:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Iniciar" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Parar" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Otimizar Geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Dinâmica Molecular" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacidade" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Exibir ligações múltiplas" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostrar hidrogênios" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Desenha átomos como esferas e ligações como cilindros." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulação Cêntrica da Ligação" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Ferramenta de manipulação ligação centrada." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Ferramenta usada para editar a geometria molecular, alterando comprimentos e " "ângulos das ligações." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Ligar Átomos" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remover Ligações" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurar Ligações…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Ligação" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Criar ligações entre todos os átomos ou entre os selecionados." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Realize operações de ligação." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tubo" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Fita" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Desenho animado" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroide" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Adicionar centroides e centro de massa." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Ponte Salina" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsivo" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensões" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Erro ao ler o ficheiro de saída '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "A processar %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Definir caminho para interpretador Python:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selecione o interpretador python para executar scripts externos.\n" "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Scripts de comandos" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Executar comandos de script externos" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Configurações Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Instalar Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python é usado em vários recursos do Avogadro. Desejar descarregar do Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Outro…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "&Calcular" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Restrições" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distância" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Ângulo" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipo" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Valor" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &Coordenadas Atômicas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordenadas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Edição de texto de coordenadas atômicas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Sobrescrever alterações?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "O documento de texto foi modificado. Gostaria de descartar as suas " "alterações e reverter para a molécula atual?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nome de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nome do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Símbolo de elemento Inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Símbolo do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Índice atômico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Número atômico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Número Atômico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordenadas inválidas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordenada X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordenada Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordenada Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "coordenada de rede 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "coordenada de rede 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "coordenada de rede 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Erro ao aplicar a geometria" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Não foi possível analisar a especificação da geometria. Corrija os erros " "destacados e tente novamente.\n" "\n" "(Dica: mantenha o rato sobre o texto em vermelho para obter uma descrição do " "erro.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editar Coordenadas Atômicas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizar" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formato XYZ (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formato XYZ (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formato XYZ (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordenadas de rede (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordenadas de rede (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordenadas de rede (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formato GAMESS (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formato GAMESS (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formato Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copiar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Recortar" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Apagar" #: qtplugins/copypaste/copypaste.cpp:37 #, fuzzy msgid "&Paste" msgstr "Colar" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Editar" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copiar Como" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Erro na Área de Transferência para a Molécula" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Erro ao gerar dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato de saída: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Erro do leitor:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Erro ao Colar Molécula" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Não é possível colar a molécula: área de transferência vazia!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Erro ao ler dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato Detectado: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiar e colar" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagir com área de transferência." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrada CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Gerar Entrada para CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energia e Forças" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Otimização Geométrica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Métodos de estrutura eletrônica (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Mecânica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Híbrido quântico clássico (ainda não suportado)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATÔMICO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSIDADES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "M&OPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ALEATÓRIO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "REINICIAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Conjugar os Gradientes" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Descida Inclinada" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "O ficheiro de entrada foi modificado. Gostaria de substituir as suas " "alterações para refletir a nova geometria ou opções de trabalho?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Substituir o ficheiro de entrada modificado?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Gravar ficheiro de entrada CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Enviar cálculo CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importar Cristal da Área de Transferência…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Editar Célula Unitária…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Envolver Átomos na Célula Unitária" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Girar para &Orientação Padrão" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Redimensionar &Volume da Célula…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Construir &Supercélula…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduzir Célula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remover Célula &Unitária" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Adicionar Célula &Unitária" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "I&mportar Cristal da Área de Transferência" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Envolver Átomos na Célula Unitária." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Reduzir Cristal Niggli" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Essa célula unitária já está reduzida." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Ferramentas para edição/análise específica de cristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Desenha os limites da célula unitária." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Não é possível analisar o texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Falha ao ler os dados com o formato fornecido." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Nenhuma célula unitária presente." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Editor de Célula Unitária" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 #, fuzzy msgid "Reassign &Custom Elements…" msgstr "Reatribuir Elementos &Personalizados…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipular tipos de elementos personalizados na molécula atual." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elementos Definidos pelo Utilizador" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento Dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Desenhar" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Desenhar o Átomo" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Trocar Tipo de Ligação" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Remover Ligação" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distância:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Ferramenta de Edição" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automático" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Simples" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Duplo" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triplo" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Estrutura química para descarregar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "A consultar por %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Falhou a Descarga da Rede" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Timeout da rede ou outro erro." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "A molécula especificada não pode ser encontrada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Buscar no PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Desfocar" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Foco" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Renderizar visualizações do campo de força para os átomos da molécula." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forças" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "Energia %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimização do Campo de Força" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Gerar entrada para GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Ponto Único" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometria de Equilíbrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estado de Transição" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frequências" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Construir EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencial Nuclear" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nenhum" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gás" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Água" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singleto" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dupleto" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Tripleto" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anião" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianião" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Gravar ficheiro de entrada GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Enviar cálculo GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Adicionar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remover Hidrogênios Extras" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remover Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Adicionar/remover hidrogênios da molécula atual." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrogênios" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogénios" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importar de PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Descarregar uma molécula de PQR." #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Inserir ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracilo" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Inserir Molécula…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 #, fuzzy msgid "Generating 3D molecule…" msgstr "A criar molécula 3D…" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Inserir ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importar Cristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Inserir fragmento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserir fragmento" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insere fragmentos moleculares para construir moléculas maiores." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Cores:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Distância do centro:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Índice" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID único" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Elemento & Número" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Elemento & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Carga Parcial" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Etiqueta do átomo:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nome" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Nome & ID" #: qtplugins/label/label.cpp:252 #, fuzzy msgid "Residue Label:" msgstr "Etiqueta de resíduos:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Entrada LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Gerar entrada LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " "previsão da entrada deck Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacidade:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Renderizar átomos como palito/bastão." #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Nenhum descritor encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Nenhum leitor de formato de linha encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Não foi possível carregar o leitor de formato solicitado." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Carregar descritores de molécula em linha única por meio de uma caixa de " "diálogo de entrada." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Ferramenta de manipulação" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Medida" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diédrico:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Ângulo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Propriedade" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molécula…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Visualizar propriedades gerais de uma molécula." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propriedades" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propriedades Moleculares" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propriedades da Molécula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Ficheiros CSV (*.csv);;Todos os ficheiros (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Não é possível abrir o ficheiro para escrever." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegar" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Ferramenta de Navegação\t(%1)\n" "\n" "Mouse Esquerdo: Clique e arraste para girar a visualização.\n" "Mouse do Meio: Clique e arraste para ampliar ou reduzir.\n" "Mouse Direito: Clique e arraste para mover a visualização." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Gire a cena ao longo dos eixos x, y ou z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Transladar a cena." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Ferramenta de navegação" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nome Químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagir com bancos de dados online, estruturas de consulta, etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Ângulo de tolerância:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogênio" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Calcogênio" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Renderizar algumas interações não covalentes." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configurar Campo de Força…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Procurar conformação…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Perceber Ligações" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Adicionar Hidrogénios ao pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Remover Hidrogénios" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 não encontrado! Desativando ações do plugin Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Os formatos de ficheiro do Open Babel não estão prontos para serem " "adicionados." #: qtplugins/openbabel/openbabel.cpp:206 #, fuzzy msgid "Loading molecule from Open Babel…" msgstr "Carregando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Ocorreu um erro interno: OpenBabel::readMolecule chamado, mas nenhuma saída " "obabel está disponível para analisar!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Um erro ocorreu durante a execução do Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Erro ao analisar a saída do openbabel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Ocorreu um erro ao recuperar a lista de campos de força suportados. (usando " "'%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécula inválida. Não é possível otimizar a geometria." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Não é possível otimizar a geometria com Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Otimizando Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "A gerar…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 #, fuzzy msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Ocorreu um erro interno ao gerar uma representação Open Babel da molécula " "atual." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, fuzzy, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Iniciando %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Etapa %1 de %2\n" "Energia atual: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "A atualizar molécula…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Erro ao interpretar a saída do Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "O número de átomos na saída do obabel (%1) não coincide com o número de " "átomos na molécula (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Não é possível abrir o ficheiro com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécula inválida: não se consegue detetar ligações." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 #, fuzzy msgid "Generating XYZ representation…" msgstr "Criando representação XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Erro ao criar a cadeia XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, fuzzy, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Convertendo XYZ em Open Babel com %1…" #: qtplugins/openbabel/openbabel.cpp:775 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Atualizando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Não é possível adicionar hidrogênios com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Adicionando Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 #, fuzzy msgid "Generating Open Babel input…" msgstr "Criando entrada Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Erro ao criar entrada Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "A executar %1…" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Adicionar Hidrogénios ao pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 #, fuzzy msgid "Generating obabel input…" msgstr "Criando entrada obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Não é possível remover hidrogênios com Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Removendo Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 #, fuzzy msgid "Error generating Open Babel data." msgstr "Erro ao criar dados Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "A lr saída obabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "O Open Babel já está em execução. Aguarde a conclusão da outra operação e " "tente novamente." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagir com utilitários OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrada OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Gerar entrada para OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Deseja atualizar o texto e perder todas as alterações feitas no painel de " "visualização do deck de entrada OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Renderize os eixos de referência no canto da ecrã." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Estado" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Geradores de Ficheiro de Entrada" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Quadro:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Ligações dinâmicas?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Taxa de quadros:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " QPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pausa" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Vídeo (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exportar gráficos em bitmap" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Filme (*.mp4);;Filme (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Aviso GIF FPS suportado" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "O formato de ficheiro GIF não oferece suporte a taxas de quadros acima de " "100 FPS (qps)." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Erro: não é possível adicionar quadro ao vídeo." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Ferramenta Player" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reproduzir trajetórias" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 #, fuzzy msgid "Plot Pair Distribution Function…" msgstr "Traçar Função de Distribuição de Pares…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Falha ao criar modelo PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Mensagem de erro: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "TracePdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Criar e desenhar uma curva Função de Distribuição de Pares (PDF)." #: qtplugins/plotxrd/plotxrd.cpp:36 #, fuzzy msgid "Plot Theoretical XRD Pattern…" msgstr "Traçar modelo DRX Teórico…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Falha ao criar modelo DRX" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Falha ao converter a molécula para o formato CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Os dados lidos do genXrdPattern parecem estar corrompidos!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Erro: não foi possível encontrar o executável genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Erro: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "TraceDrx" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Criar e desenhar um modelo de DRX teórico usando ObjCryst ++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Gravar Ficheiro" #: qtplugins/ply/ply.cpp:69 #, fuzzy msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Texto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Renderizar a cena usando PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Texto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Renderizar a cena usando o POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valência" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Carga Formal" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Carga Parcial %1" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Cores" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Terminar Átomo" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Ordem de Ligação" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Comprimento (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Estrutura Secundária" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogênea" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Ângulo (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energia (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Ajustar Fragmento" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-Hélice" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Hélice" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "Folha-beta" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Propriedades do átomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Propriedades da ligação…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Propriedades do ângulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Propriedades da torsão…" #: qtplugins/propertytables/propertytables.cpp:55 #, fuzzy msgid "Residue Properties…" msgstr "Propriedades de Residência…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Janelas para visualizar as propriedades do átomo, ligação, ângulo e torsão." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propriedades" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propriedades do átomo" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propriedades da ligação" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propriedades do ângulo" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propriedades da torsão" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propriedades da conformação" #: qtplugins/propertytables/propertyview.cpp:61 #, fuzzy msgid "Residue Properties" msgstr "Propriedades de Residência" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Não foi possível ler o arquivo %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Falha ao criar um arquivo temporário." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Desenha primitivas utilizando propriedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Gráfico Molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Gráfico Molecular com Pares Isolados…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Carga Atómica…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Abrir Ficheiro WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Ficheiros WFN (*.wfn);;Todos os ficheiros (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensão QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Entrada Quantum" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Gerar entrada para pacotes de química quântica." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centralizar" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Alinhar Visão aos Eixos" #: qtplugins/resetview/resetview.cpp:53 #, fuzzy msgid "Align view to axes." msgstr "Alinhar Visão aos Eixos." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipular câmara de visualização." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Formatos de Ficheiro de Script" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Carregar leitores/gravadores de ficheiros de scripts externos." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selecionar Tudo" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Limpar Seleção" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inverter Seleção" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Seleccionar por elemento…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Seleccionar por Resíduo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Mudar seleções" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleccionar" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Seleccionar elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Seleccionar Resíduo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Selecionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecção" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Ferramenta de Seleção" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepção do Grupo Espacial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Tornar Simétrico" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reduzir a Unidade Assimétrica" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Preencher Célula Unitária…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Espaçogrupo" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Falha" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepção do Grupo de Espaço falhou.\n" "Gostaria de tentar novamente com uma tolerância diferente?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Redução Primitiva" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "A tolerância está definida como: %1.\n" "Continuar com esta tolerância?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Redução de Primitivas falhou.\n" "Por favor, verifique o seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Convencionalização da Célula falhou.\n" "Por favor, verifique o seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Simetrização falhou.\n" "Por favor, verifique o seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Selecione a tolerância em Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internacional" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Selecionar Grupo de Espaço" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "GrupoEspaço" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Recursos do grupo espacial para cristais." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Espectro" #: qtplugins/spectra/spectra.h:34 #, fuzzy msgid "Display spectra plots." msgstr "Mostrar espectros." #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infravermelho" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elétron" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Densidade dos Estados" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Selecionar cor de fundo" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Selecione cor de primeiro plano" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Frequência (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Raman espectro" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensidade" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Fase (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Densidade" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidade Electrónica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Do Ficheiro" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " de %0" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Criar Superfícies…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calculando densidade eletrônica" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculando o orbital molecular %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Exportar Vídeo" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Vídeo MP4 (*.mp4);;Vídeo AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Ler e renderizar superfícies." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Classe" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Fornecer funcionalidade de simetria." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Desenha elementos de simetria." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Exibição simples de esferas VdW." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Iniciar Animação" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Parar Animação" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy msgid "Vibrational Modes…" msgstr "Modos Vibracionais…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibração" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy msgid "Display vibrational modes." msgstr "Mostrar modos vibracionais." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Texto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderizar a cena usando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Desenha a molécula como estrutura de arame." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 falhou ao iniciar" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulário" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configurações de Cálculo" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy msgid "Placeholder text…" msgstr "Texto de espaço reservado…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy msgid "Debug Script…" msgstr "Depurar script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Submeter Cálculo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Gravar Ficheiro de Entrada…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Fila e Programa:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Atualizar" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Quantidade de núcleos do processador a reservar para " "este trabalho.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Núcleos do processador:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Excluir ficheiros de trabalho remotos após concluir " "trabalho. Os resultados ainda serão copiados primeiro para o cache de " "trabalho MoleQueue local.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Apagar ficheiros remotos ao terminar:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Marcar para evitar que este trabalho apareça na GUI " "MoleQueue por padrão.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ocultar trabalho em MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Mostrar uma notificação pop-up do sistema quando o " "status do trabalho mudar.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Mostrar notificações de progresso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Abrir resultado ao terminar:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renomear Elementos" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Inserir fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtro:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Digite um nome ou parte de um nome para mostrar apenas os ficheiros " "correspondentes." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserir" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Trecho de código 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiar para a Área de Transferência" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Estrutura do Ficheiro de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Gerar Ficheiro de Entrada a partir de ficheiro PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Ficheiro PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de Força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Executar PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Carregar ficheiro PQR existente" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Ficheiro PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Ficheiro de Entrada APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Gravar Ficheiro de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Executar APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sucesso!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Carregar Ficheiro de Estrutura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Carregar ficheiro Cube" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carga Parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerância de Distância:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distância Mínima:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Adicionar" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Aceitar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de Coordenadas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unidade de Distância:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Especificação de formato. Cada caracter indica um " "valor a escrever por átomo:

# " "- Índice de átomo (1, 2, ..., numAtoms)
Z - Número Atômico (e.g. \"6\" para carbono)
G - número atômico estilo GAMESS (e.g. " "\"6.0\" para carbono)
N - Nome " "do elemento (e.g. \"Carbono\")
S - Símbolo do elemento (e.g. \"C\" para carbono)
x - posição coordenada X
y - posição coordenada Y
z - posição coordenada Z
a - coordenada de rede 'a' (em cristais)
b - coordenada de rede 'b' (em " "cristais)
c - coordenada de " "rede 'c' (em cristais)
_ - Um " "espaço literal (\" \"), útil para alinhar
0 - Um 0 literal (\"0\"), útil para otimizar " "marcadores
1 - Um 1 literal " "(\"1\"), útil para otimizar marcadores

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Colar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Limpar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrada CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Apagar todos" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Padrões" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Gravar Ficheiro…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuração &Básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "trabalho" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipo Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensão de ficheiro para conversão Open Babel (padrão - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parâmetros de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opções de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetir A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetir B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetir C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriz da Célula:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriz Fracionária:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Reverter" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ocultar" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escalar Volume da Célula Unitária" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Novo &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "Fator de E&scala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume Atual:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordem de Ligação:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Critérios de Convergência" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Energy convergence:" msgstr "Energia de convergência:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unidades" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " passos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Método de Otimização" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Campo de força:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetectar" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Em:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidade:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Com:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy msgid "Import From PQR…" msgstr "Importar de PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Buscar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinônimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "fórmula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Procurar por: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Fórmula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nome:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) #, fuzzy msgid "Insert Nucleic Acids" msgstr "Inserir ácidos núcleos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequencia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Outro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Simples" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Dupla" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Ácido aspártico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteína" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Ácido Glutâmico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofano" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequência (N até C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereoquímica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Número da Cadeia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "O número da cadeia para o novo peptídeo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrada LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentários do ficheiro de entrada" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Selecione o estilo de unidade a ser usado durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unidades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elétron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial da Água" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Selecione atom_style usado pelo ficheiro de dados." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estilo do Átomo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ângulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atômico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ligação" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "completo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "pacote de ondas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Indique o nome a ser usado para o ficheiro de coordenadas." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Ficheiro de Dados de Coordenadas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Conjunto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Selecione a quantidade de cadeias Nosé-Hoover no conjunto NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadeias NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalo de tempo para a simulação em unidades de acordo com a " "especificação \"Unidades\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nome do ficheiro XYZ a ser escrito durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Despejar XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Quantidade de dimensões do sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensões" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Alterar o estilo do limite Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Alterar o estilo do limite Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selecionar estilos de borda nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Borda" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Quantidade de replicantes nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicar direção X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicar direção Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicar direção Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Quantidade total de etapas de tempo para executar a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total de Etapas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Defina as velocidades iniciais do átomo para a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocidades Iniciais" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Selecionar distribuição das velocidades iniciais do átomo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussiana" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Definir velocidades iniciais do átomo para corresponder a esta temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remover momento linear do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momento Linear Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remover momento angular do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momento Angular Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlar saída termodinâmica durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estilo de Saída Termodinâmica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Generate…" msgstr "Criando…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descritor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Traduzido por:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Girar em volta:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origem" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Eixo X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eixo Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eixo Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Busca Conformacional" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Total de conformações:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Busca Sistemática de Rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Busca Aleatória de Rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Busca Ponderada de Rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy msgid "Genetic algorithm search" msgstr "Busca de Algoritmo Genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Convergência:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmo de otimização:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Técnica de busca em linha:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Descida Inclinada" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simples" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Método de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "distância de corte de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frequência de atualização do par:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distância de corte eletrostático:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energia\" de convergência:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Construtor de Script OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Script do trabalho:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordenadas de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologia de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo de Força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvente Implícito (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plataforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referência" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dupla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Índice da Plataforma OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Restrições:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Velocidade inicial aleatória:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrador:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Browniano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Taxa de colisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostato:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo do Barostato" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy msgid "Equilibration Steps:" msgstr "Etapas de Equilíbrio:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Etapas de Produção:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizar?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opções StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Rapidez" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progresso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energia Potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energia Cinética" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia Total" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opções para traçar PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Raio Máximo:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Etapa (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opções de Padrão de DRX Teórico" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

O alargamento do pico na base (em graus).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

O valor 2theta máximo em graus.

Predefinição: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

O alargamento dos picos na base em graus.

Predefinição: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Quantidade de pontos:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Comprimento de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

O comprimento de onda do raio-x em angstroms.

Predefinição: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

A quantidade de pontos 2theta a criar.

Predefinição: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Descarregar Selecionados" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raio do Ponto Crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raio do Caminho da Ligação:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamanho Constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplicar Cor" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Fator de Escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparência" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectro Importado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fundo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Espectro calculado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Exportar dados" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "Fe&char" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Duplo clique esquerdo: Restaura limites padrão de eixos\n" "Clique direito + arrastar: Move gráfico\n" "Clique do meio + arrastar: Ampliação da região\n" "Roda do rato: Ampliação para o cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Muito Baixo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baíxo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Médio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Muito Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Criar Superfícies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Superfície:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Cor por:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Potencial Electrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolução:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #, fuzzy msgid "Record Movie…" msgstr "Gravar Vídeo…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Átomos simetricamente equivalentes:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operações" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementos de simetria:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupos" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupos:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerância:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Justo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Solto" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detetar Simetria" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Centralizar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Carga Formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Da área de transferéncia" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modos Vibracionais" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Ivo Fernandes,Leandro Boscariol,Tiago " "Silva,nitrofurano, ,Launchpad Contributions:,Ivo Fernandes, ,Launchpad " "Contributions:,Arrepiadd,Ivo Fernandes, ,Launchpad " "Contributions:,Arrepiadd,Frederico Tavares,Geoff Hutchison,Ivo " "Fernandes,Tiago Silva, ,Launchpad Contributions:,Arrepiadd,Avogadro " "Team,Frederico Tavares,Geoff Hutchison,Ivo Fernandes,Tiago Silva, ,Launchpad " "Contributions:,Arrepiadd,Avogadro Team,Frederico Tavares,Geoff Hutchison,Ivo " "Fernandes,Tiago, ,Launchpad Contributions:,Arrepiadd,Avogadro Team,Frederico " "Tavares,Geoff Hutchison,Ivo Fernandes,Tiago, ,Launchpad " "Contributions:,Arrepiadd,Avogadro Team,Frederico Tavares,Geoff Hutchison,Ivo " "Fernandes,Tiago Silva, ,Launchpad " "Contributions:,Almufadado,Arrepiadd,Avogadro Team,David Rodrigues,Frederico " "Tavares,Geoff Hutchison,Ivo Fernandes,Nuno Sousa Cerqueira,Tiago " "Silva, ,Launchpad Contributions:,Almufadado,Arrepiadd,Avogadro Team,David " "Rodrigues,Frederico Tavares,Geoff Hutchison,Ivo Fernandes,Nuno Sousa " "Cerqueira,Tiago Silva, ,Launchpad " "Contributions:,Almufadado,Arrepiadd,Avogadro Team,David Rodrigues,Frederico " "Tavares,Geoff Hutchison,Ivo Xavier,Nuno Sousa Cerqueira,Tharmas,Tiago " "Silva,danielagos, ,Launchpad Contributions:,Almufadado,Arrepiadd,Avogadro " "Team,David Rodrigues,Frederico Tavares,Geoff Hutchison,Ivo Xavier,Manuel " "Silva,Nuno Sousa Cerqueira,Tharmas,Tiago S.,Tiago S.,Tiago " "Silva,danielagos, ,Launchpad Contributions:,Almufadado,Arrepiadd,Avogadro " "Team,David Rodrigues,Frederico Tavares,Geoff Hutchison,Ivo Xavier,Manuel " "Silva,Nuno Sousa Cerqueira,Tharmas,Tiago S.,Tiago Santos,Tiago " "Silva,danielagos" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,ivofernandes12@gmail.com,,,,,,ivofernandes12@gmail.com,,,,ivofernandes12@gmail.com,,,,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,,avogadro-" "devel@lists.sourceforge.net,david.rodrigues@gmail.com,,,ivofernandes12@gmail.com,,,,,,,avogadro-" "devel@lists.sourceforge.net,david.rodrigues@gmail.com,,,ivofernandes12@gmail.com,,,,,,,avogadro-" "devel@lists.sourceforge.net,david.rodrigues@gmail.com,,,ivofernandes12@gmail.com,,,,danielagostinho@sapo.pt,,,,,avogadro-" "devel@lists.sourceforge.net,david.rodrigues@gmail.com,,,ivoxavier.8@gmail.com,manuel.n.silva@gmail.com,,,,,,danielagostinho@sapo.pt,,,,,avogadro-" "devel@lists.sourceforge.net,david.rodrigues@gmail.com,,,ivoxavier.8@gmail.com,manuel.n.silva@gmail.com,,,,,,danielagostinho@sapo.pt" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "A opção '%1' não se refere a um objeto." #, qt-format #~ msgid "Tab %1" #~ msgstr "Guia %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Erro: o valor deve ser objeto para a chave '%1'." #, fuzzy #~ msgid "Edit Color Opacity Map…" #~ msgstr "Editar Mapa de Opacidade de Cor …" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Editar mapas de opacidade de cores, principalmente para renderização de " #~ "volume." #~ msgid "Volume Rendering" #~ msgstr "Renderizando Volume" #~ msgid "Cube" #~ msgstr "Cubo" #~ msgid "Enable volume rendering" #~ msgstr "Ativar renderização de volume" #~ msgid "Enable surface rendering" #~ msgstr "Ativar renderização de superfície" #~ msgid "Isovalue" #~ msgstr "Isovalor" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #~ msgid "Angles:" #~ msgstr "Ângulos:" #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pendente)" #~ msgid "Reference Axes Overlay" #~ msgstr "Sobreposição de Eixos de Referência" #~ msgid "Meshes" #~ msgstr "Malhas" #, fuzzy #~ msgid "Plot RMSD curve…" #~ msgstr "Traçar curva RMSD…" #~ msgid "PlotRmsd" #~ msgstr "TraceRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Criar e desenhar uma curva RMSD." #~ msgid "Max 2*theta:" #~ msgstr "Máx 2*theta:" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Janelas para visualizar as propriedades do átomo, ligação, ângulo e " #~ "torsão." #, fuzzy, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Ferramenta de Navegação (%1)\n" #~ "\n" #~ "Mouse Esquerdo: Clique e arraste para girar a visualização.\n" #~ "Mouse do Meio: Clique e arraste para ampliar ou reduzir.\n" #~ "Mouse Direito: Clique e arraste para mover a visualização.\n" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importar..." #~ msgid "Set Color..." #~ msgstr "Definir Cor..." #~ msgid "&Export..." #~ msgstr "&Exportar..." #~ msgid "&Load data..." #~ msgstr "&Carregar dados..." #~ msgid "Partial Charge" #~ msgstr "Carga Parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animação" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Exibição simples de esferas VdW com oclusão ambiental." #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Adicionar Célula Unitária" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Número Atômico." #, fuzzy #~ msgid "By Distance" #~ msgstr "Distância:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Número Atômico." #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Copiar" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Carga Molecular:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa Molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula Química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de Ligações:" #, fuzzy #~ msgid "In." #~ msgstr "Em:" #~ msgid "ABPS Input (*.in)" #~ msgstr "Entrada ABPS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Selecionar o interpretador python usado para executar scripts de criador " #~ "de entrada.\n" #~ "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Definir Caminho Python..." #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento..." #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funcional" #~ msgid "Help..." #~ msgstr "Ajuda..." #~ msgid "Submit Calculation..." #~ msgstr "Submeter Cálculo..." #~ msgid "Save File..." #~ msgstr "Gravar Ficheiro..." #~ msgid "Record Movie..." #~ msgstr "Gravar Vídeo..." #~ msgid "Other..." #~ msgstr "Outro..." #~ msgid "Client server operations." #~ msgstr "Operações cliente-servidor." #~ msgid "S&erver" #~ msgstr "S&ervidor" #~ msgid "Connection failed" #~ msgstr "Falha na conexão" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "A conexão com %2:%3 falhou: conexão recusada." #~ msgid "Remote service error" #~ msgstr "Erro de serviço remoto" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "A conexão falhou com: %1" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Servidor do cliente" #~ msgid "Connection refused" #~ msgstr "Conexão recusada" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Conexão a %2:%3 bem-sucedida!" #~ msgid "Filename" #~ msgstr "Nome do ficheiro" #~ msgid "Formula" #~ msgstr "Fórmula" #~ msgid "Mongo Chem Server" #~ msgstr "Servidor Mongo Chem" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interface com Servidor Mongo Chem." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrutura:" #~ msgid "Server settings" #~ msgstr "Configurações de servidor" #~ msgid "&Hostname:" #~ msgstr "Nome do &Host:" #~ msgid "Port" #~ msgstr "Porta" #~ msgid "Test C&onnection..." #~ msgstr "Testar C&onexão..." #~ msgid "Look in:" #~ msgstr "Olhar dentro:" #~ msgid "Navigate Back" #~ msgstr "Navegar para Trás" #~ msgid "Navigate Forward" #~ msgstr "Navegar para Frente" #~ msgid "Navigate Up" #~ msgstr "Navegar para Cima" #~ msgid "File name:" #~ msgstr "Nome do Ficheiro:" #~ msgid "Files of type:" #~ msgstr "Ficheiros do tipo:" #~ msgid "MongoChem Config" #~ msgstr "Config MongoChem" #~ msgid "API Key:" #~ msgstr "Chave API:" #~ msgid "Image:" #~ msgstr "Imagem:" #~ msgid "Input Parameters:" #~ msgstr "Parâmetros de Entrada:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome do Elemento." #~ msgid "'c' coordinate." #~ msgstr "coordenada de rede 'c'." #~ msgid "All files (*);;" #~ msgstr "Todos os ficheiros (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboédrico" #~ msgid "Insert Molecule..." #~ msgstr "Inserir Molécula..." #~ msgid "Generating 3D molecule..." #~ msgstr "A criar molécula 3D..." #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Ficheiro existe e não é gravável." #~ msgid "'userOptions' missing, or not an object." #~ msgstr "'userOptions' em falta, ou não um objeto." #, qt-format #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opção '%1' não encontrada em userOptions." #, qt-format #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' ausente ou não é um objeto:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teoria:" #, qt-format #~ msgid "Default value missing for option '%1'." #~ msgstr "Valor padrão ausente para a opção '%1'." #~ msgid "Edit Unit Cell..." #~ msgstr "Editar Célula Unitária..." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "&Import From PQR" #~ msgstr "&Importar de PQR" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristal..." #~ msgid "&LAMMPS Input" #~ msgstr "Entrada &LAMMPS" #, fuzzy #~ msgid "Write" #~ msgstr "escrever" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Adicionar Hidrogénios ao pH..." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Erro ao interpretar a saída obabel CML." #~ msgid "Error generating CML data." #~ msgstr "Erro ao criar dados CML." #~ msgid "Atom Properties..." #~ msgstr "Propriedades do átomo..." #~ msgid "Bond Properties..." #~ msgstr "Propriedades da ligação..." #~ msgid "Angle Properties..." #~ msgstr "Propriedades do ângulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propriedades de torsão..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propriedades da Molécula..." #~ msgid "Create Surfaces..." #~ msgstr "Criar superfícies..." #~ msgid "Symmetry..." #~ msgstr "Simetria..." #~ msgid "&Exit" #~ msgstr "Sai&r" #~ msgid "Insert Fragment..." #~ msgstr "Inserir Fragmento..." #, qt-format #~ msgid "Distance: %L1 Å" #~ msgstr "Distância: %L1 Å" #~ msgid "Rotatable" #~ msgstr "Rotacional" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Tamanho %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Ângulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ângulo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Torsão %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsão %1" #~ msgid "Torsion" #~ msgstr "Torção" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sim" #~ msgid "No" #~ msgstr "Não" #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir fragmento SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Inserir Cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Inserir fragmentos moleculares para construir moléculas maiores" #~ msgid "E&xtensions" #~ msgstr "E&xtensões" #~ msgid "Symmetry Properties..." #~ msgstr "Propriedades da Simetria..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizar Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimização da geometria" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Adicionar Hidrogênios" #, fuzzy #~ msgid "Stopped" #~ msgstr "Parar" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Cor por índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Cor por índice (vermelho, laranja, amarelo, verde, azul, violeta)." #~ msgid "Color by Partial Charge" #~ msgstr "Cor por carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Cor por carga atómica parcial (azul = positivo, vermelho = negativo)." #~ msgid "Custom Color:" #~ msgstr "Cor Personalizada:" #~ msgid "Set custom colors for objects" #~ msgstr "Definir cor personalizada para objectos" #~ msgid "Color by Distance" #~ msgstr "Cor por distância" #~ msgid "Color by distance from the first atom." #~ msgstr "Cor conforme a distância ao primeiro átomo" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Cor por elemento (carbono = cinzento, oxigénio = vermelho, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Cor por resíudo (tipo de aminoácido, hidrofobicidade, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Padrão SMARTS" #~ msgid "Highlight Color:" #~ msgstr "Cor de realce:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Cor por padrão SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Realçar funcionalidades particulares que coincidem com o padrão SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununséptio" #~ msgid "Ununoctium" #~ msgstr "Ununóctio" #~ msgid "Engines" #~ msgstr "Motores" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Mostra as primitivas utilizando Bolas (átomos) e varetas (ligações)" #~ msgid "Hydrogen Bond" #~ msgstr "Ponte de Hidrogénio" #~ msgid "Renders hydrogen bonds" #~ msgstr "Mostra as pontes de hidrogénio" #~ msgid "Select Atom Labels Color" #~ msgstr "Seleccionar a cor dos símbolos dos átomos" #~ msgid "Select Bond Labels Color" #~ msgstr "Seleccionar Cor do Texto da Ligação Química" #~ msgid "Select Bond Labels Font" #~ msgstr "Seleccionar Fonte de Texto da Ligação Química" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Mostra os átomos como tetraedros, octaedros e outros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Mostra o esqueleto da proteína como fita" #~ msgid "Ring" #~ msgstr "Anel" #~ msgid "Renders rings with colored planes" #~ msgstr "Mostra os anéis com planos coloridos" #~ msgid "Simple Wireframe" #~ msgstr "Linha simples" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Mostra as ligações como linhas, ideal para moléculas grandes" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Vareta" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidade electrónica, isosuperfície = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperfície = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Mostra as ligações como linhas, ideal para (bio)moléculas muito grandes" #~ msgid "Trajectory files" #~ msgstr "Ficheiros de trajectorias" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Ficheiros DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir Ficheiro de Trajectoria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adicionar extensão .avi" #~ msgid "Animation..." #~ msgstr "Animação..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Não foi possível ler o formato do arquivo %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "Leitura do ficheiro de trajectória %1 falhou." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Deve especificar um nome válido para o ficheiro .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Aplicativo GL não foi correctamente iniciado para guardar vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome de ficheiro de vídeo inválido. Deve incluir o caminho de directório " #~ "completo." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome de ficheiro de vídeo inválido. Deve incluir o caminho de directório " #~ "completo, terminando com .avi." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Não foi possível determinar o formato do ficheiro: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animar trajectórias, reacções e vibrações." #~ msgid "Cartesian Editor" #~ msgstr "Editor Cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Sem células unitárias definidas para a molécula -- não pode usar " #~ "coordenadas fraccionárias." #~ msgid "Cartesian Editor..." #~ msgstr "Editor Cartesiano" #~ msgid "Cartesian editor" #~ msgstr "editor Cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de ligações rotacionais: %1" #~ msgid "Add constraint" #~ msgstr "Adicionar restrição" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "A molécula deve conter pelo menos um átomo para poder adicionar uma " #~ "restrição." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "A molécula deve conter pelo menos dois átomos para poder adicionar uma " #~ "restrição à ligação." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "A molécula deve conter pelo menos quatro átomos para poder adicionar uma " #~ "restrição à torção." #~ msgid "&Crystallography" #~ msgstr "&Cristalografia" #~ msgid "&Reduce" #~ msgstr "&Reduzir" #~ msgid "&Length Unit" #~ msgstr "Unidade de &Comprimento" #~ msgid "&Angle Unit" #~ msgstr "Unidade de &Ângulo" #~ msgid "Coordinate &Preservation" #~ msgstr "&Preservação de Coordenada" #~ msgid "&Matrix Display" #~ msgstr "Mostrar &Matrix" #~ msgid "Show &Editors" #~ msgstr "Mostrar &Editores" #~ msgid "Hide &Property Display" #~ msgstr "Esconder Tela de &Propriedades" #~ msgid "Show &Property Display" #~ msgstr "Mostrar Tela de &Propriedades" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo de Rede: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Grupo espacial de simetria: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unidade de volume da célula: %L1%2" #~ msgid "Undefined" #~ msgstr "Indefinido" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorrômbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "Paste Crystal" #~ msgstr "Colar Cristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Falha na redução Niggli. A estrutura de entrada está a confundir o " #~ "algoritmo de redução Niggli. Tente fazer uma pequena perturbação (cerca " #~ "de duas ordens de magnitude menor do que a tolerância) para a entrada de " #~ "reticulados e tente novamente." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Falha ao reduzir célula após 1000 iterações do algoritmo de redução. A " #~ "interromper." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rodar para &Orientação Padrão" #~ msgid "&Slab..." #~ msgstr "&Fatiar" #~ msgid "Perceive Space&group..." #~ msgstr "Percepção do &Grupo Espacial..." #~ msgid "Set &Spacegroup..." #~ msgstr "Definir &Grupo espacial" #~ msgid "&Fill Unit Cell" #~ msgstr "&Preencher Célula Unitária" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "" #~ "&Preencher a célula unitária usando o grupo espacial de simetria actual." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduzir à Unidade &Assimétrica" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Si&metrizar Cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduzir Célula (&Primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanómetro" #~ msgid "&Picometer" #~ msgstr "&Picómetro" #~ msgid "&Degree" #~ msgstr "&Graus" #~ msgid "&Radian" #~ msgstr "&Radianos" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Cartesianas Durante Modificação da Célula" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Fraccionais Durante a Modificação da Célula" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar matrix &cartesiano" #~ msgid "Display as &row vectors" #~ msgstr "Mostrar como vetores em &linha" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como vetores &colunares" #~ msgid "&Crystal View Options..." #~ msgstr "Opções de Visualização de &Cristais..." #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Não existe um grupo espacial definido para este documento.\n" #~ "\n" #~ "Deseja definir um grupo espacial agora?" #~ msgid "Symmetrize Crystal" #~ msgstr "Simetrizar Cristal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Condensar Átomos Para Célula" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduzir a Célula de Niggli" #~ msgid "Crystallography" #~ msgstr "Cristalografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construir e analisar estruturas periódicas." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "A entrada não está formatada como um\n" #~ "dos seguintes formatos suportados:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenadas Cartesianas" #~ msgid "Fractional Coordinates" #~ msgstr "Coordenadas Fraccionais" #~ msgid "Set Fractional Coordinates" #~ msgstr "Definir Coordenadas Fracionais" #~ msgid "Set Unit Cell Params" #~ msgstr "Definir Parâmetros da Célula Unitária" #~ msgid "Working..." #~ msgstr "A Processar..." #~ msgid "Build" #~ msgstr "Construir" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cortar Placa do Cristal" #~ msgid "No GLWidget?" #~ msgstr "Sem GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Por favor, escolher um ou mais átomos." #~ msgid "Trajectory..." #~ msgstr "Trajectória..." #~ msgid "Open chemical file format" #~ msgstr "Abrir ficheiro do formato químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Ficheiros químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir ficheiro de parâmetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Ficheiros químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar trajectória" #~ msgid "Import trajectory files" #~ msgstr "Importar ficheiros de trajectória" #~ msgid "Calculate Energy" #~ msgstr "Calcular energia" #~ msgid "Constraints..." #~ msgstr "Restrições..." #~ msgid "ForceField" #~ msgstr "Campo de Força" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimizar moléculas e gerar conformações, usando campos de força molecular" #~ msgid "&Vector Graphics..." #~ msgstr "Gráficos &Vectoriais..." #~ msgid "Common vector image formats" #~ msgstr "Formatos de imagem vectorial comuns" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportar gráfico vetorial" #~ msgid "Change H to Methyl" #~ msgstr "Mudar H para Metilo." #~ msgid "H to Methyl" #~ msgstr "H para Metilo" #~ msgid "H2Methyl" #~ msgstr "H2Metilo" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformar hidrogénios em grupos metilo" #~ msgid "Add or remove hydrogens" #~ msgstr "Adicionar ou remover hidrogénios" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Inserir cadeias de ADN/ARN" #~ msgid "Peptide..." #~ msgstr "Peptídeo" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserir sequências oligopeptídeas" #~ msgid "Invert Chirality" #~ msgstr "Inverter Quiralidade" #~ msgid "Invert chiral centers" #~ msgstr "Inverter centros quirais" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconhecido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento Dipolo (D) Estimado:" #~ msgid "Display standard molecular properties." #~ msgstr "Mostra as propriedades moleculares padrão." #~ msgid "Fetch by chemical name..." #~ msgstr "Procura pelo nome químico..." #~ msgid "Fetch from URL..." #~ msgstr "Procurando a partir do URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descarregar." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL da molécula para download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "A molécula especificada não pode ser carregada: %1" #~ msgid "Network Fetch" #~ msgstr "Procura de Rede" #~ msgid "Fetch molecule files over the network." #~ msgstr "Procurando ficheiros de moléculas através da rede." #~ msgid " No vibration data found!" #~ msgstr " Nenhum dadod de vibração encontrado!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Nenhum dado de vibração encontrado ou a molécula mudou para fora do " #~ "complemento Orca!" #~ msgid "extended Geometry File" #~ msgstr "Ficheiro de Geometria Extendida" #~ msgid "Read Orca Outputfile" #~ msgstr "Ler Ficheiro de Saída Orca" #~ msgid "no file found" #~ msgstr "nenhum ficheiro encontrado" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Algo está errado com a estrutura do ficheiro" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Algo está errado com a estrutura do ficheiro - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Algo está errado com a saída IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Algo está errado com a saída raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Algo está errado com a saída de energia orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Nenhum ficheiro de geometria encontrado!" #~ msgid "Could not read file!" #~ msgstr "Não foi possível ler o ficheiro!" #~ msgid "Analyse Orca Output..." #~ msgstr "A analisar a saída Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Exemplo Teste Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Apresenta uma caixa de diálogo \"H...\"" #~ msgid "ORCA Input Deck" #~ msgstr "Entrada Deck ORCA" #~ msgid "Show Preview" #~ msgstr "Mostrar a Antevisão" #~ msgid "Hide Preview" #~ msgstr "Esconder a Antevisão" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gravar a imagem renderizada no formato POV-RAY" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Ficheiros de imagem (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "O nome do ficheiro fornecido não é válido." #~ msgid "Does not compute." #~ msgstr "Não é possível calcular." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Não pediu nenhuma renderização direta utilizando POV-Ray nem pediu para " #~ "manter o ficheiro do POV-Ray. Isso resultará que nenhuma saída será " #~ "guardada. Tem certeza de que é isso que quer?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Não é possível guardar o ficheiro %1. Tem permissões para guardar o " #~ "ficheiro nessa localização?" #~ msgid "POV-Ray failed to start." #~ msgstr "Não foi possível inicializar o programa POV-RAY." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray não conseguiu iniciar corretamente. Verifique s o caminho do " #~ "executável está correto." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Criar ficheiros POV-Ray e renderizá-los utilizando a linha de comandos do " #~ "programa POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propriedades de conformação..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Consola Interativo do Python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck abinit?" #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Gostaria de actualizar o texto prévio, perdendo todas as mudanças feitas " #~ "no ficheiro de entrada de dados Dalton?" #~ msgid "QM Matches" #~ msgstr "Resultados para MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selecção EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selecção QM" #~ msgid "You must make a selection!" #~ msgstr "Deve fazer uma selecção!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversão SMILES indisponível" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversão para o formato SMILES não disponível!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Criar ficheiros de dados para a aplicação de química quântica GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Definições Avançadas Alteradas" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "As definições avançadas foram alteradas.\n" #~ "Ignorar?" #~ msgid "Advanced Settings Reset" #~ msgstr "Anular Definições Avançadas" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem a certeza que deseja anular as definições avançadas?\n" #~ "Todas as mudançãs serão perdidas!" #~ msgid "Basic Settings Reset" #~ msgstr "Anular Definições Básicas" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem a certeza que quer anular todas as definições básicas?\n" #~ "Todas as mudanças serão perdidas!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Entrada Deck GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Gaussiana" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Gaussiana?" #~ msgid "Gaussian Input Deck" #~ msgstr "Entrada Deck Gaussiana" #~ msgid "Gaussian Running." #~ msgstr "Executando Gaussian." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian já está em funcionamento. Aguarde até que o cálculo tenha " #~ "terminado." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Não Instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "O executável G03 não foi encontrado." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 não consegue iniciar. Poderá não estar correctamente instalado." #~ msgid "Running Gaussian calculation..." #~ msgstr "Executando cálculo Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 falhou." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian não consegue ser correctamente executado. Poderá não estar " #~ "correctamente instalado." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO" #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Lammps Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Entrada Deck Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Alerta da Entrada MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Entrada Deck MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC em execução." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC já está em execução. Aguarde até que o cálculo tenha terminado." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Não Instalado." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "O executável MOPAC não foi encontrado." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC falhou em iniciar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC não consegue iniciar. Poderá não estar correctamente instalado." #~ msgid "Running MOPAC calculation..." #~ msgstr "Executando o cálculo MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC falhou." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC não foi executado correctamente. Poderá não estar correctamente " #~ "instalado." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Lammps NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Entrada Deck NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Psi4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Entrada Deck Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Entrada Deck QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Entrada Deck TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Seleccionar SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Adicionar seleção nomeada..." #~ msgid "SMARTS Selection" #~ msgstr "Selecção SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Seleccionar padrões SMART" #~ msgid "There is no current selection." #~ msgstr "Nenhuma selecção escolhida." #~ msgid "Add Named Selection" #~ msgstr "Adicionar Seleção Nomeada" #~ msgid "Name cannot be empty." #~ msgstr "O campo Nome não pode estar vazio." #~ msgid "There is already a selection with this name." #~ msgstr "Já existe uma selecção com este nome." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seleccionar átomos, ligações, resíduos..." #~ msgid "GLSL Shaders..." #~ msgstr "Shaders GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Abrir um ficheiro de textura Vertex" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Ficheiros vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Abrir um ficheiro de textura fragmento" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Ficheiro de textura fragmento (*.frag)" #~ msgid "GLSL Shaders" #~ msgstr "Sombreadores GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensidade (unidades arb.)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densidade dos Estados (estados/átomo)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitância (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorvância (%)" #~ msgid "No intensities" #~ msgstr "Sem intensidades." #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Os dados de vibração da molécula que foram carregados não possuem " #~ "intensidade de dados suficiente. Foram atribuídos valores arbitrários de " #~ "intensidade para permitir a visualização." #~ msgid "Activity" #~ msgstr "Atividade" #~ msgid "X Axis" #~ msgstr "Eixo XX" #~ msgid "Y Axis" #~ msgstr "Eixo YY" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Definições do Espectro &Infravermelho" #~ msgid "&NMR Spectra Settings" #~ msgstr "Definições do Espectro &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Definições &UV" #~ msgid "&CD Settings" #~ msgstr "Definições &CD" #~ msgid "&Raman Settings" #~ msgstr "Definições &Raman" #~ msgid "No data" #~ msgstr "Sem dados" #~ msgid "Dark" #~ msgstr "Escuro" #~ msgid "Publication" #~ msgstr "Publicação" #~ msgid "Handdrawn" #~ msgstr "Desenhado manualmente" #~ msgid "New Scheme" #~ msgstr "Novo Esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirme remoção do esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Quer mesmo remover o esquema actual?" #~ msgid "Change Scheme Name" #~ msgstr "Mudar o nome do esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Digite novo nome para o esquema." #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores separados por vírgulas (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valores separados por vírgulas" #~ msgid "Comma Separated Values" #~ msgstr "Valores separados por vírgulas" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensão desconhecida: %1" #~ msgid "Data Format" #~ msgstr "Formato dos Dados" #~ msgid "Load Spectral Data" #~ msgstr "Carregando Dados do Espectro" #~ msgid "Portable Network Graphics" #~ msgstr "Formato PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Imagem do Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap portátil" #~ msgid "X11 Bitmap" #~ msgstr "Bitmap X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmap X11" #~ msgid "Save Spectra Image" #~ msgstr "Guardar Imagem do Espectro" #~ msgid "&Advanced <<" #~ msgstr "&Avançado <<" #~ msgid "&Advanced >>" #~ msgstr "&Avançado >>" #~ msgid "&Spectra..." #~ msgstr "E&spectro..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar dados do espectro a partir de cálculos químicos quânticos" #~ msgid "Vibrational Analysis" #~ msgstr "Análise Vibracional" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar os modos vibracionais a partir de cálculos químicos quânticos" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ordenado %1 vibrações por frequência..." #~ msgid "Super Cell Builder..." #~ msgstr "Construtor de Super Célula" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este documento é, actualmente, uma molécula isolada. Necessita de criar " #~ "uma célula unitária." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Desenhar e ver super células cristalográficas." #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitais Moleculares..." #~ msgid "Orbitals" #~ msgstr "Orbitais" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidade Electrónica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Erro - tipo indefinido" #~ msgid "Calculating VdW Cube" #~ msgstr "A calcular Cubo VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Building..." #~ msgstr "A construir..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "O widget GL não foi iniciado corretamente, impossibilitando que se crie " #~ "um vídeo." #~ msgid "Building video " #~ msgstr "Construindo vídeo " #~ msgid "Could not run mencoder." #~ msgstr "Não é possível executar mencoder," #~ msgid "Set Aspect Ratio" #~ msgstr "Setar Razão de Aspecto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "A cena atual do Avogadro tem %1x%2 pixeis de largura e o seu rácio é %3.\n" #~ "Pode manter este valor, por exemplo se quiser utilizar POV-Ray\n" #~ "para produzir uma imagem de %4x1000 pixeis ou se introduzir outro valor\n" #~ "positivo, como por exemplo 1 se quiser utilizar POV-Ray para produzir " #~ "imagens\n" #~ "quadradas tais como 1000x1000 pixeis." #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Conetar" #~ msgid "Disconnect" #~ msgstr "Desconetar" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "O contexto de OpenGL é inválido.\n" #~ "Ou algo está completamente errado na sua configuração do OpenGL (consegue " #~ "correr alguma aplicação de OpenGL?), ou então descobriu um erro." #~ msgid "Debug Information" #~ msgstr "Informação de Depuração" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "Atoms: %L1" #~ msgstr "Átomos: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "O ficheiro do tipo '%1' não é suportado para leitura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "O tipo de ficheiro '%1' não é suportado para leitura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "A leitura da molécula com índice %1 a partir do ficheiro '%2' falhou." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "O tipo de ficheiro '%1' não é suportado para escrita." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Não é possível abrir o ficheiro '%1' para leitura." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "A substituição da molécula com o índice %1 no ficheiro '%2' falhou." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Não é possível abrir o ficheiro %1 para leitura." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "A gravação do ficheiro molecular falhou - não é possível renomear o " #~ "ficheiro original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "A gravação do ficheiro molecular falhou - não é possível renomear o novo " #~ "ficheiro." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "A gravação do ficheiro molecular falhou - não é possível remover o " #~ "ficheiro antigo." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "O ficheiro %1 não pode ser aberto para escrita." #~ msgid "Molecule %1" #~ msgstr "Molécula %1" #~ msgid "Unknown Python Engine" #~ msgstr "Motor de Python Desconhecido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: a verificar " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - o programa não tem nenhuma classe 'Engine' definida" #~ msgid " - no module" #~ msgstr " - sem módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensão de Python Desconhecida" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: a verificar " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - o programa não tem nenhuma classe 'Extension' definida" #~ msgid "Unknown Python Tool" #~ msgstr "Ferramenta de Python Desconhecida" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: a verificar " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - o programa não tem nenhuma classe 'Tool'" #~ msgid "Tools" #~ msgstr "Ferramentas" #~ msgid "Align:" #~ msgstr "Alinhamento:" #~ msgid "Everything" #~ msgstr "Tudo" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Não foi possível definir o campo de forças...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Opç. Auto: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Passos por Actualização:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinâmica Molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinâmica Molecular (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Os átomos fixos são amovíveis" #~ msgid "Ignored atoms are movable" #~ msgstr "Os átomos ignorados são amovíveis" #~ msgid "AutoOpt Molecule" #~ msgstr "Molécula AutoOpt" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimização automática da geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Definições de Auto-Optimização" #~ msgid "Auto Rotation Tool" #~ msgstr "Ferramenta de Rotação Automática" #~ msgid "x rotation:" #~ msgstr "Rotação em X:" #~ msgid "x rotation" #~ msgstr "rotação em X" #~ msgid "y rotation:" #~ msgstr "Rotação em Y:" #~ msgid "y rotation" #~ msgstr "rotação em Y" #~ msgid "z rotation:" #~ msgstr "Rotação em Z:" #~ msgid "z rotation" #~ msgstr "rotação em Z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotação automática das moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Definições de rotação automática" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Comprimento da ligação: %L1" #~ msgid " Show Angles" #~ msgstr " Mostrar os Ângulos" #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipular Ligação Cêntrica" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulação dos comprimentos de ligação, ângulos e torsões" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distância (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distância (3->4): %L1 %2" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distância(s):" #~ msgid "Draw Bond" #~ msgstr "Desenhar a Ligação" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Desenhar e editar os átomos e as ligações" #~ msgid "Draw Settings" #~ msgstr "Definições de Desenho" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translaccionar, rodar e ajustar os átomos e os fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Definições de Manipulação" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translaccionar, rodar e ampliar a visualização actual" #~ msgid "Navigate Settings" #~ msgstr "Definições de Navegação" #~ msgid "Selection Mode:" #~ msgstr "Modo de Selecção:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/Ligação" #~ msgid "Residue" #~ msgstr "Resíduo" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Comprimento da Ligação" #~ msgid "Dihedral Angle" #~ msgstr "Ângulo Diédrico" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor da Matriz Z..." #~ msgid "Create/edit a z-matrix" #~ msgstr "Criar/editar uma matriz-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Definições da Matriz-Z" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobia" #~ msgid "Atom Radius:" #~ msgstr "Raio Atómico:" #~ msgid "Bond Radius:" #~ msgstr "Raio da Ligação:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Width:" #~ msgstr "Largura:" #~ msgid "Cut-off radius:" #~ msgstr "Raio de corte:" #~ msgid "Cut-off angle:" #~ msgstr "Ângulo de corte:" #~ msgid "Symbol & Atom number" #~ msgstr "Símbolo e Número Atómico" #~ msgid "Partial charge" #~ msgstr "Carga Parcial" #~ msgid "Residue number" #~ msgstr "Número do resíduo" #~ msgid "Bond length" #~ msgstr "Comprimento da ligação" #~ msgid "Bond number" #~ msgstr "Número da ligação" #~ msgid "Bond order" #~ msgstr "Ordem da ligação" #~ msgid "Radius:" #~ msgstr "Raio:" #~ msgid "Include Nitrogens" #~ msgstr "Incluir os Azotos" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Fill" #~ msgstr "Preencher" #~ msgid "Points" #~ msgstr "Pontos" #~ msgid "Draw Box:" #~ msgstr "Caixa de Desenho:" #~ msgid "Mapped Colors" #~ msgstr "Cores Mapeadas" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostrar os Átomos" #~ msgid "Animate Trajectory" #~ msgstr "Animar Trajectória" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Save as .avi..." #~ msgstr "Guardar como .avi..." #~ msgid "Number of atoms:" #~ msgstr "Total de átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Total de ligações rotacionais:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar átomo" #~ msgid "Fix Atom" #~ msgstr "Corrigir átomo" #~ msgid "Fix Atom X" #~ msgstr "Corrigir Átomo X" #~ msgid "Torsion angle" #~ msgstr "Ângulo de torção" #~ msgid "Save" #~ msgstr "Salvar" #~ msgid "Load" #~ msgstr "Carregar" #~ msgid "File Import..." #~ msgstr "Importar Ficheiro..." #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento Dipolar (D):" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "Advanced" #~ msgstr "Avançadas" #~ msgid "Control" #~ msgstr "Controlo" #~ msgid "Set the background color to be transparent" #~ msgstr "Seleccionar a cor do fundo para transparente" #~ msgid "HF" #~ msgstr "HF" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "&Advanced Setup" #~ msgstr "Configurações &Avançadas" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Ponto Inicial" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Estimar OM" #~ msgid "Misc" #~ msgstr "Diversos" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funções de Polarisação de Átomos Pesados:" #~ msgid "Read" #~ msgstr "Ler" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difusão Orbital-S em Átomos Pesados" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difusão Orbital-L em Átomos Pesados" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valência Zeta Dupla" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valência Zeta Tripla" #~ msgid "SBKJA Valence" #~ msgstr "Valência SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valência Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo ECP:" #~ msgid "Default" #~ msgstr "Padrão" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funções de Polarização de Átomos Pesados:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#leve Funções de Polarização de Átomos:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Spin Orbit" #~ msgstr "Orbital de Spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo Eléctrico Finito" #~ msgid "Global Optimization" #~ msgstr "Optimização Global" #~ msgid "Raman Intensities" #~ msgstr "Intensidades Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nenhum (CI)" #~ msgid "Foster-Boys" #~ msgstr "Adotados" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo SCF:" #~ msgid "Localization Method:" #~ msgstr "Método de Localização:" #~ msgid "Normal Run" #~ msgstr "Execução Normal" #~ msgid "Run Type:" #~ msgstr "Tipo de Execução:" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Coordinate Type:" #~ msgstr "Tipo de Coordenadas:" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Usar Simetria Durante o Cálculo" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rodar Orbitais Alfa e Beta" #~ msgid "Solvate with Water" #~ msgstr "Solvatar com Água" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuição sobre Todos os Nós" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar Orbitais Localizadas" #~ msgid "Transformation Method" #~ msgstr "Método de Transformação" #~ msgid "Segmented Transformation" #~ msgstr "Transformação por Segmentos" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Mostrar Orbitais em cada iteracção" #~ msgid "Initial:" #~ msgstr "Início:" #~ msgid "Rational Function Optimization" #~ msgstr "Optimização da Função Racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximação Quadrática" #~ msgid "Quartet" #~ msgstr "Quarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Sem restrições" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "não" #~ msgid "yes" #~ msgstr "sim" #~ msgid "Dispersion:" #~ msgstr "Dispersão:" #~ msgid "Display Type:" #~ msgstr "Modo de Exibição:" #~ msgid "&Schemes:" #~ msgstr "&Esquemas:" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Tamanho da F&onte auto-ajustável" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibrações Moleculares" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "frequências de vibração elevadas irão mostrar movimentos mais rápidos" #~ msgid "Display force &vectors" #~ msgstr "Mostrar &vectores-força" #~ msgid "Surface Type:" #~ msgstr "Tipo de Superfície:" #~ msgid "New Display" #~ msgstr "Nova Apresentação" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "raio de bohr" #~ msgid "nanometers" #~ msgstr "nanómetros" #~ msgid "Find &double bonds" #~ msgstr "Procurar ligações &duplas" #~ msgid "Molecular Symmetry" #~ msgstr "Simetria Molecular" #~ msgid "Display visual cues" #~ msgstr "Mostrar pistas visuais" #~ msgid "Python Settings" #~ msgstr "Configuração do Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor da Matriz Z" OpenChemistry-avogadrolibs-ceb949f/i18n/pt_BR.po000066400000000000000000013072261516317240700216320ustar00rootroot00000000000000# Brazilian Portuguese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Gustavo Sousa Jr , 2020, 2021, 2022. # Pietro Valente Benevenga , 2020. # Alexandre R Soares , 2021, 2024, 2025, 2026. # "Kirito ._." , 2024. # Iago Emanuel , 2024. # Eisuke Kawashima , 2024, 2025, 2026. # Khemis , 2024. # nicejammer , 2025. # Weblate Translation Memory , 2025. # croomfolk , 2026. # Pedro Moreira , 2026. # "Henrique C. S. Junior" , 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-20 12:12+0000\n" "Last-Translator: Alexandre R Soares \n" "Language-Team: Portuguese (Brazil) \n" "Language: pt_BR\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:00+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Trabalho em Lote #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nenhuma mensagem especificada." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "roteiro --imprimir-opções a saída deve ser um objeto JSON de nível superior. " "Recebido:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Aviso de não string retornado." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Membro 'warnings' não é um array." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "O arquivo de referência '%1' não existe." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Erro ao preencher arquivo %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Arquivo '%1' mal formado. A string 'contents' ou membros 'filePath' estão " "faltando." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entrada de arquivo malformada: nome do arquivo ou conteúdo ausente ou sem " "strings:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entrada de arquivo malformada no índice %1: Não é um objeto." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "O membro 'files' não é array." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "membro de 'arquivos' ausente." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" "O membro 'mainFile' não se refere a uma entrada em 'arquivos' ('files')." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "O membro 'mainFile' deve ser uma string." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "A resposta deve ser um objeto JSON de nível superior." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script de saída:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro de análise no deslocamento %L1: '%2'\n" "JSON bruto (raw):\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao gravar a representação da molécula como string: Formato de arquivo " "não reconhecido: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Erro ao gravar a representação da molécula na string: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro ao gerar objeto cjson: Erro de análise no deslocamento %1: %2\n" "JSON bruto (raw):\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Objeto cjson gerador de erros: JSON analisado não é um objeto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Gerador de Input (erro)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "Gerador de input para o %1" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fechar" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Desconhecido" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "O seguinte arquivo foi modificado:\n" "\n" "%1\n" "\n" "Você gostaria de substituir suas alterações para refletir a nova geometria " "ou opções de trabalho?" msgstr[1] "" "Os seguintes arquivos foram modificados:\n" "\n" "%1\n" "\n" "Você gostaria de substituir suas alterações para refletir a nova geometria " "ou opções de trabalho?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Substituir arquivos de entrada modificados?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Problemas ocorridos ao gerar a entrada:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Nenhum arquivo de entrada para salvar!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Não é possível conectar ao MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Não é possível conectar ao servidor MoleQueue. Certifique-se de que está " "funcionando e tente novamente." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Submeter %1 Cálculo" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Trabalho Falhou" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "O trabalho não foi concluído com sucesso." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Script devolve avisos:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Ocultar &Avisos" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Exibir &Avisos" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Ocorreu um erro:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Selecione o nome do arquivo de saída" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Erro interno: não foi possível encontrar widget de texto para o nome de " "arquivo '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Erro de Saída" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Falha ao salvar o arquivo %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Escolha diretório de saída" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Diretório inexistente!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Diretório ilegível!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: O arquivo será sobrescrito." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: O arquivo não pode ser escrito." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Os arquivos de entrada não podem ser gravados devido a um erro desconhecido." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Os arquivos de entrada não podem ser gravados:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Os arquivos de entrada não podem ser gravados:\n" "\n" "%1\n" "\n" "Avisos:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Aviso:\n" "\n" "%1\n" "\n" "Deseja continuar?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Gravar arquivos de entrada" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configurar Trabalho" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Enviar trabalho para MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Tempo Limite de Envio de Trabalho" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro esgotou o tempo aguardando uma resposta de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Esperando o trabalho %1 “%2” terminar…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Parar de esperar" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Buscando informações do trabalho concluído…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Tempo Limite de Recuperação de Trabalho" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro esgotou o tempo aguardando os detalhes do trabalho concluído de " "MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Erro ao Enviar Trabalho" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "O trabalho foi recusado por MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nenhum programa selecionado." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Selecione o programa de destino na lista \"Fila e Programa\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "O cliente falhou ao enviar o trabalho para MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Erro interno." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Incapaz de resolver a escolha do programa. Isto é um bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nenhuma molécula definida em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nenhum Io::FileFormat definido em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nenhum nome de arquivo definido em BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Dividir na Horizontal" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Dividir na Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogênio" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hélio" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lítio" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berílio" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogênio" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigênio" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neônio" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sódio" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnésio" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumínio" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silício" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Enxofre" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argônio" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potássio" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Cálcio" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Escândio" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titânio" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanádio" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Crômio" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganês" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinco" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gálio" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germânio" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsênio" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selênio" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Criptônio" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubídio" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Estrôncio" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ítrio" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zircônio" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Nióbio" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibdênio" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tecnécio" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutênio" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Ródio" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paládio" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Prata" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cádmio" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Índio" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Estanho" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimônio" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telúrio" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenônio" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Césio" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bário" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantânio" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cério" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodímio" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodímio" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promécio" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samário" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Európio" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolínio" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Térbio" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprósio" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Hólmio" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Érbio" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Túlio" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Itérbio" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutécio" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Háfnio" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantálio" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungstênio" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rênio" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Ósmio" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Irídio" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Ouro" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercúrio" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tálio" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Chumbo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polônio" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radônio" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Frâncio" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Rádio" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actínio" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tório" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactínio" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urânio" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptúnio" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutônio" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerício" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Cúrio" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berquélio" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Califórnio" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einstênio" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Férmio" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelévio" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobélio" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurêncio" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Ruterfórdio" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dúbnio" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seabórguio" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bóhrio" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hássio" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnério" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstádio" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgênio" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernício" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihônio" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleróvio" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscóvio" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermório" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesso" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganessônio" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Procurar" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Selecionar arquivo:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Selecionar executável:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Não foi possível encontrar um leitor de arquivo adequado para o arquivo " "selecionado." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "A extensão do arquivo está faltando, então o formato do arquivo não pôde ser " "determinado. Você quer adicioná-la?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Não foi possível encontrar um gravador de arquivo adequado para o formato " "selecionado." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipuladores" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "lidar" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "leitores" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "ler" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "escritores" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "escrevem" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Vários %1 encontrados que podem %2 este formato. Qual deve ser usado?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Todos os arquivos" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Todos os formatos suportados" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Erro ao ler a representação da molécula: Formato de arquivo não reconhecido: " "%1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "Mensagem %1" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 Aviso" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 Erro" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao gravar a representação da molécula como string: Formato de arquivo " "não reconhecido: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Erro ao gravar a representação da molécula na string: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' faltando." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Não foi possível encontrar a opção '%1'." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' não é uma string para a opção '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Base do nome do arquivo" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Processadores" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memória" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Tipo de Cálculo" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Nível de Teoria" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Carga" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicidade" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvente" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Modelo" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Nome do Usuário" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Senha" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tipo de opção não reconhecido '%1' para a opção '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Erro ao definir o padrão para a opção '%1'. Tipo de widget inválido." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Erro ao definir padrão para a opção '%1'. Valor padrão ruim:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Erro ao definir o padrão para a opção '%1'. Não foi possível encontrar um " "índice de entrada de combinação válido a partir do valor:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Widget não tratado em collectOptions para a opção '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[sem molécula]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Camada %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola e Bastão" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Fechar contatos" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Rede de Cristal" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Rótulos" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 #, fuzzy msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Bastão" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Não-Covalente" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementos de Simetria" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (OA)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volumes" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Estrutura de Arame" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Eixos de Referência" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Sem título" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Editar molécula" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Não salvo" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Crie uma nova vista" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabela Periódica" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "O modo de pacote requer o pixi, mas ele não foi encontrado." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar o " "início (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Erro ao executar o script '%1 %2': falha ao gravar em stdin (len= %3, gravou " "%4 bytes, erro QProcess: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar " "conclusão (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Erro ao executar o script '%1 %2': status de saída anormal %3 (%4: %5)\n" "\n" "Resultado:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Alerta '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Erro ao escrever a requisição bruta no stdin do script (tam=%1, escritos %2 " "bytes, erro do QProcess: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Script falhou ao iniciar." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "O código falhou." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "O script expirou." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Erro de leitura." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Erro de escrita." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Erro desconhecido." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificar Camadas" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remover Camadas" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remover Info da Camada" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Adicionar Camada" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Adicionar camada de informação" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Trocar Camada" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Adicionar Átomo" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Remover Átomo" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Limpar Átomos" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajustar Hidrogênios" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Trocar Elementos" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Trocar Elemento" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Alterar Hibridização do Átomo" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Mudar Carga Formal do Átomo" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Mudar Cor do Átomo" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Mudar cor do resíduo" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Mudar camada dos átomos" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Adicionar Ligação" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Ligação Removida" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Apagar Ligações" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Definir Ordens de Ligação" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Trocar Ordem da Ligação" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Atualizar Ligações" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Atualizar Ligação" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Adicionar célula unitária…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Remover Célula Unitária" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Editar Célula Unitária" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Envolver Átomos na Célula" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Redimensionar Volume da Célula" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Construir Supercélula" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Redução Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Girar para Orientação Padrão" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reduzir à célula primitiva" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Convencionalizar Célula" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Simetrizar Célula" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Completar Célula Unitária" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduzir célula à unidade assimétrica" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Mudar Posições dos Átomos" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Mudar Posição do Átomo" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Mudar Rótulo do Átomo" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Alterar rótulo da ligação" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Mudar Seleção" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificar Molécula" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Configurações" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "A calcular…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Falta menos de um segundo" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n segundo restante" msgstr[1] "%n segundos restantes" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n minuto restante" msgstr[1] "%n minutos restantes" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 hora %n minuto restante" msgstr[1] "1 hora %n minutos restantes" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n hora restante" msgstr[1] "%n horas restantes" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloco HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Arquivo" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Alterar elementos…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construir" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alquimia" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Mudar elementos dos átomos." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Alinhar" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Alinhar Moléculas\n" "\n" "Botão Esquerdo do Mouse:\tSelecionar até dois átomos.\n" "\tO primeiro átomo se centraliza na origem.\n" "\tO segundo átomo está alinhado com o eixo selecionado.\n" "Botão Direito do Mouse:\tMudar o alinhamento.\n" "Duplo clique:\tCentralizar o átomo na origem." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Eixo:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Alinhar na Origem" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Alinhar ao Eixo" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centralizar o átomo na origem." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Girar a molécula para alinhar o átomo com o eixo especificado." #: qtplugins/aligntool/aligntool.h:29 #, fuzzy msgid "Align tool" msgstr "Ferramenta de alinhamento" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinha moléculas a um eixo cartesiano" #: qtplugins/apbs/apbs.cpp:32 #, fuzzy msgid "Run APBS…" msgstr "Executar APBS…" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Abrir Arquivo de Saída…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Entrada" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Abrir Arquivo de Saída" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Arquivo OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Erro de Entrada/Saída" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Problema ao ler a estrutura do arquivo (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Erro OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Erro ao ler arquivo OpenDX: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Erro ao ler arquivo OpenDX: Nenhum cubo encontrado" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagir com utilitários APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Abrir Arquivo PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Arquivos PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Abrir Arquivo PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Arquivos PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Erro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Erro ao executar APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Especifique o arquivo PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Sucesso" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Gerado %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Erro ao executar PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Salvar Arquivo de Entrada APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Entrada APBS (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Arquivo de entrada gravado em %1" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Não foi possível salvar o arquivo %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Por Cor Personalizada…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "Por Índice Atômico…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Por Distância…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Por Elemento" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Pela Cadeia" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Pela Carga Parcial…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "Por Estrutura Secundária" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Por aminoácido" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Pelo esquema Shapely" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Cinza" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Espectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Equilibrar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Azul-VermelhoEscuro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Aplicar o esquema de cores aos átomos e resíduos." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Exibir" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Colorir átomos" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Colorir resíduos" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Selecionar mapa de cores" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Mapa de Cores:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Aplicar cores de índice" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Aplicar cores de carga" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Aplicar cores de distância" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Redefinir cores de átomos" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Aplicar cor personalizada" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Aplicar cor de resíduo personalizada" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Redefinir cor de resíduos" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Aplicar cores de estrutura secundária" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Aplicar cores de aminoácidos" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Aplicar cores do esquema Shapely" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Aplicar cores" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Otimização Automática" #: qtplugins/autoopt/autoopt.cpp:70 #, fuzzy, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Ferramenta de Otimização Automática\t(%1)\n" "\n" "Funções de Navegação ao clicar em um espaço vazio.\n" "Botão esquerdo do mouse:\tGirar espaço\n" "Botão do meio do mouse:\tAmpliar espaço\n" "Botão direito do mouse:\tMover espaço\n" "Clique duplo:\tRedefinir visualização\n" "\n" "Em execução:\n" "Botão esquerdo do mouse:\tClique e arraste os átomos para movê-los.\n" "Botão direito do mouse:\tClique e arraste para girar os átomos." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Otimizar" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinâmica" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Tarefa:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Intervalo de tempo:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Iniciar" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Parar" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Otimizar Geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Dinâmica Molecular" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Ferramenta de Otimização Automática" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Otimização interativa da geometria molecular" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Escala atômica" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Escala de ligação" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacidade" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Exibir ligações múltiplas" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostrar hidrogênios" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Desenha átomos como esferas e ligações como cilindros." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulação centrada em ligações" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Ferramenta de Manipulação Centrada na Ligação\t(%1)\n" "\n" "Botão Esquerdo:\tClique e arraste para girar a visualização.\n" "Botão Central:\tClique e arraste para aproximar ou afastar.\n" "Botão Direito:\tClique e arraste para deslocar a visualização.\n" "Clique Duplo:\tRestaurar a visualização.\n" "\n" "Clique e Arraste com o Botão Esquerdo sobre uma Ligação para definir o Plano " "de Manipulação\n" "Clique e Arraste com o Botão Esquerdo sobre um dos Átomos da Ligação para " "alterar o ângulo\n" "Clique e Arraste com o Botão Direito sobre um dos Átomos da Ligação para " "alterar o comprimento" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Ferramenta de manipulação ligação centrada." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Ferramenta usada para editar a geometria molecular, alterando comprimentos e " "ângulos das ligações." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Ligar Átomos" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Determinar ordem de ligações" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remover Ligações" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurar Ligações…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Ligar átomos selecionados" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Ligação" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Remover ligações entre todos os átomos ou entre os selecionados." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Criar ligações entre todos os átomos ou entre os selecionados." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Determinar ordem de ligações." #: qtplugins/bonding/bonding.h:30 #, fuzzy msgid "Bonding" msgstr "Ligando" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Realize operações de ligação." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Esqueleto" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Traçado" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tubo" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Fita" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Cartoon simples" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Corda" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Exibição de fitas / cartoons de biomoléculas." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Adicionar centroide" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Adicionar centro de massa" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Adicionar perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroide" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Adicionar centroides e centro de massa." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Distância máxima:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Espessura da linha:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contato" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Ponte Salina" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsivo" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Renderizar contatos próximos entre átomos." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensões" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Erro ao ler o arquivo de saída '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Processando %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Definir caminho para interpretador Python:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selecione o interpretador python para executar scripts externos.\n" "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Scripts de comandos" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Executar comandos de script externos" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Configurações Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Instalar Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python é usado em vários recursos do Avogadro. Desejar fazer download do " "Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurar Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurar ambientes do Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Outro…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Restrições…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calcular" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Restrições" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Definir restrições para otimizações de geometria" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distância" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Ângulo" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Ângulo de Torsão" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Congelar átomo" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Congelar eixo X" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Congelar eixo Y" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Congelar eixo Z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tipo" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Valor" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Editor de &Coordenadas Atômicas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordenadas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Edição de texto de coordenadas atômicas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Sobrescrever alterações?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "O documento de texto foi modificado. Gostaria de descartar suas alterações e " "reverter para a molécula atual?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Há poucas entradas online." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nome de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nome do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Símbolo de elemento Inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Símbolo do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Rótulo de átomo inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Índice atômico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Índice atômico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Número atômico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Número Atômico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordenadas inválidas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordenada X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordenada Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordenada Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "coordenada de rede 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "coordenada de rede 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "coordenada de rede 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Erro ao aplicar geometria" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Não foi possível analisar a especificação da geometria. Corrija os erros " "destacados e tente novamente.\n" "\n" "(Dica: mantenha o mouse sobre o texto em vermelho para obter uma descrição " "do erro.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editar Coordenadas Atômicas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizar" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formato XYZ (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formato XYZ (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formato XYZ (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordenadas de rede (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordenadas de rede (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordenadas de rede (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formato GAMESS (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formato GAMESS (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formato Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copiar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Recortar" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Excluir" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Colar" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Editar" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copiar Como" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Erro na Área de Transferência para a Molécula" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Erro ao gerar dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato de saída: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Erro do leitor:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Erro ao Colar Molécula" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Não é possível colar a molécula: área de transferência vazia!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Erro ao ler dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato Detectado: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiar e colar" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagir com área de transferência." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrada CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Gerar Entrada para CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energia e Forças" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Otimização Geométrica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Métodos de estrutura eletrônica (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Mecânica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Híbrido quântico clássico (ainda não suportado)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NENHUM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATÔMICO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "NÚCLEO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSIDADES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 #, fuzzy msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "M&OPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ALEATÓRIO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "REINICIAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "Esparso" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Gradientes Conjugados" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Descida mais íngreme" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "O arquivo de entrada foi modificado. Você gostaria de substituir suas " "alterações para refletir a nova geometria ou opções de trabalho?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Substituir o arquivo de entrada modificado?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Salvar arquivo de entrada CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Enviar cálculo CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importar cristal da Área de Transferência…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Alternar célula unitária" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Editar célula unitária…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Envolver Átomos na Célula Unitária" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Girar para &Orientação Padrão" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Redimensionar &Volume da célula…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construir &Supercélula…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduzir Célula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remover Célula &Unitária" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Adicionar Célula &Unitária" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "I&mportar Cristal da Área de Transferência" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Envolver átomos na célula unitária." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotacionar célula unitária para a orientação padrão." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Reduzir Cristal Niggli" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Essa célula unitária já está reduzida." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Ferramentas para edição/análise específica de cristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Colorir eixos:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Cor da linha:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Desenha os limites da célula unitária." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Não é possível analisar o texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Falha ao ler os dados com o formato fornecido." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Nenhuma célula unitária presente." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Editor de Célula Unitária" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ignorando matriz singular da cela unitária" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ignorando matriz fracionária singular da cela unitária" #: qtplugins/customelements/customelements.cpp:19 #, fuzzy msgid "Reassign &Custom Elements…" msgstr "Reatribuir Elementos &Personalizados…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipular tipos de elementos personalizados na molécula atual." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elementos Definidos pelo Usuário" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento Dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Renderizar o momento de dipolo da molécula." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Desenho" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Ferramenta Desenhar\t(%1)\n" "\n" "Botão esquerdo do mouse:\tClique e arraste para criar átomos e ligações\n" "Botão direito do mouse:\tExclua átomo" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Desenhar Átomo" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Trocar Tipo de Ligação" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Remover Ligação" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distância:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Ferramenta de Edição" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automático" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Simples" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dupla" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Tripla" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Buscar no PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Não foi possível ler a molécula PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Código PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Estrutura química para baixar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Código PDB Inválido" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "O código PDB deve ter exatamente 4 caracteres." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "O primeiro caractere do código PDB deve ser de 1 a 9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Esperando %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Download Falhou" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Tempo expirou ou outro erro." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "A molécula especificada não pode ser encontrada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Buscar no PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Baixe modelos PDB do Protein Data Bank" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Focalizar Seleção" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Desfocalizar" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focalizar" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focalizar a visualização em características específicas." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Renderizar visualizações do campo de força para os átomos da molécula." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forças" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Fixar Átomos Selecionados" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Travar X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Travar Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Travar Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Destravar Átomos Selecionados" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fundir Átomos Selecionados" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Nenhum átomo foi fornecido para otimização" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energia: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energia = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Norma da Força = %L2" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Otimização do Campo de Força" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Minimização de campos de força, incluindo scripts" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Opções…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Opções de Modelo Inválidas" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Não foi possível analisar as opções do usuário para o modelo '%1'." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Opções" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Campo de Força Universal" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Campo de Força Âmbar Generalizado" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Campo de Força Molecular Merck 94" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Gerar entrada para GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Ponto Único" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometria de Equilíbio" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Estado de Transição" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Freqüências" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Construir EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencial Central" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nenhum" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 #, fuzzy msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 #, fuzzy msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 #, fuzzy msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gás" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Água" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlete" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dublete" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplete" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dicátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Ânion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Diânion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Salvar arquivo de entrada GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Enviar cálculo GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Adicionar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remover Hidrogênios E&xtras" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remover Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Adicionar/remover hidrogênios da molécula atual." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrogênios" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogênios" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "Bu&scar PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importar de PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Baixar uma molécula de PQR." #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Inserir DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracila" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Inserir Molécula…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 #, fuzzy msgid "Generating 3D molecule…" msgstr "A criar molécula 3D…" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Inserir DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Inserir fragmentos de DNA/RNA por uma caixa de diálogo." #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Erro ao ler o arquivo (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importar Cristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Inserir Fragmento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "InsertFragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insere fragmentos moleculares para construir moléculas maiores." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptídeo…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Inserir Peptídeo" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Inserir sequências de oligopeptídeos." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Cores:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Distância do centro:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Índice" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID Único" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Elemento & Número" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Elemento & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Carga Parcial" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Rótulo do Átomo:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Comprimento" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Rótulo da Ligação:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nome" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Nome & ID" #: qtplugins/label/label.cpp:252 #, fuzzy msgid "Residue Label:" msgstr "Etiqueta do resíduo:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Exibir etiquetas no estilo bola e bastão." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Editar Etiquetas" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Ferramenta para Etiquetar Átomos\n" "\n" "Botão Esquerdo do Mouse:\tClique nos Átomos para Rotulagem Personalizada" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Criar Etiqueta" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 #, fuzzy msgid "Label editor tool" msgstr "Ferramenta de Edição" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Entrada LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Gerar entrada LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Deseja atualizar o texto e perder todas as alterações feitas no painel de " "visualização do deck de entrada do Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacidade:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Renderizar átomos como palito/bastão." #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Nenhum descritor encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Nenhum leitor de formato de linha encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Não foi possível carregar o leitor de formato solicitado." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Nenhuma coordenada encontrada!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Não foi possível gerar coordenadas 3D." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Carregar descritores de molécula em linha única por meio de uma caixa de " "diálogo de entrada." #: qtplugins/manipulator/manipulator.cpp:49 #, fuzzy msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulação" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Ferramenta de Manipulação\t(%1)\n" "\n" "Botão Esquerdo do Mouse:\tClique & arraste para mover átomos\n" "Botão Direito:\tClique & arraste para rotacionar átomos." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Ferramenta de manipulação" #: qtplugins/measuretool/measuretool.cpp:51 #, fuzzy msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Medir" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Ferramenta de Medição\t(%1)\n" "\n" "Botão Esquerdo do Mouse:\tSelecione até 4 átomos.\n" "\tDistâncias são medidas entre 1-2 e 2-3\n" "\tO ângulo é medido entre 1 e 3, usando 2 como ponto comum.\n" "\tO diedro é medido entre 1-2-3-4.\n" "Botão Direito:\tReinicie as medições." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diédrico:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Ângulo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 #, fuzzy msgid "Measure tool" msgstr "Ferramenta de Medida" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(pendente)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Propriedade" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Nome da Molécula" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Massa Molar (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Massa Monoisotópica (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Fórmula Química" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Número de Átomos" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Número de Ligas" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Conjuntos de Coordenadas" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Número de Resíduos" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Número de Cadeias" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Carga Líquida" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Multiplicidade de Spin" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Momento Dipolar (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Energia HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Energia LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Energia SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Energia Total (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Energia do Ponto Zero (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropia (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Energia Livre de Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Grupo de Pontos" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Visualizar propriedades gerais de uma molécula." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analisar" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Propriedades" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Propriedades Moleculares" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Propriedades da Molécula" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Arquivos CSV (*.csv);;Todos os arquivos (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Não foi possível abrir o arquivo para escrita." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Erro ao escrever no arquivo." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegação" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Ferramenta de Navegação\t(%1)\n" "\n" "Mouse Esquerdo:\tClique e arraste para girar a visualização.\n" "Mouse do Meio:\tClique e arraste para ampliar ou reduzir.\n" "Mouse Direito:\tClique e arraste para mover a visualização." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Girar a cena ao longo dos eixos x, y ou z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Ampliar a cena." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Transladar a cena." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Inverter a Direção do Zoom ao Rolar" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Padrão:\tRole para baixo para reduzir, role para cima para ampliar\n" "Invertido:\tRole para cima para reduzir, role para baixo para ampliar" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Ferramenta de navegação" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Nome Químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Bancos de Dados de Rede" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagir com bancos de dados online, estruturas de consulta, etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Ângulo de tolerância:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogênio" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Calcogênio" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Renderizar algumas interações não covalentes." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configurar Campo de Força…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Busca Confôrmero…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Perceber Ligações" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Adicionar hidrogênios para pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Remover Hidrogênios" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 não encontrado! Desativando ações do plugin Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Os formatos de arquivo do Open Babel não estão prontos para serem " "adicionados." #: qtplugins/openbabel/openbabel.cpp:206 #, fuzzy msgid "Loading molecule from Open Babel…" msgstr "Carregando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Ocorreu um erro interno: OpenBabel::readMolecule chamado, mas nenhuma saída " "obabel está disponível para analisar!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Um erro ocorreu durante a execução do Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Erro ao analisar a saída do openbabel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Ocorreu um erro ao recuperar a lista de campos de força suportados. (usando " "'%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécula inválida. Não é possível otimizar a geometria." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Não é possível otimizar a geometria com Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Otimizando Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 #, fuzzy msgid "Generating…" msgstr "Criando…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 #, fuzzy msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Ocorreu um erro interno ao gerar uma representação Open Babel da molécula " "atual." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, fuzzy, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Iniciando %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Etapa %1 de %2\n" "Energia atual: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 #, fuzzy msgid "Updating molecule…" msgstr "Atualizando molécula…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Erro ao interpretar a saída do Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "O número de átomos na saída do obabel (%1) não coincide com o número de " "átomos na molécula (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molécula inválida. Não é possível gerar confôrmeros." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Não é possível gerar confôrmeros com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Gerar Confôrmeros (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Gerar Confôrmeros" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Não é possível abrir o arquivo com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécula inválida: não se consegue detectar ligações." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Percepção de Ligações (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 #, fuzzy msgid "Generating XYZ representation…" msgstr "Criando representação XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Erro ao criar string XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, fuzzy, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Convertendo XYZ em Open Babel com %1…" #: qtplugins/openbabel/openbabel.cpp:775 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Atualizando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Não é possível adicionar hidrogênios com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Adicionando Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 #, fuzzy msgid "Generating Open Babel input…" msgstr "Criando entrada Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Erro ao criar entrada Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, fuzzy, qt-format msgid "Running %1…" msgstr "Executando %1…" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Adicionar hidrogênios para pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 #, fuzzy msgid "Generating obabel input…" msgstr "Criando entrada obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Não é possível remover hidrogênios com Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Removendo Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 #, fuzzy msgid "Error generating Open Babel data." msgstr "Erro ao criar dados Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 #, fuzzy msgid "Reading obabel output…" msgstr "Lendo saída obabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "O Open Babel já está em execução. Aguarde a conclusão da outra operação e " "tente novamente." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagir com utilitários OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "Script &OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrada OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Gerar entrada para OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Deseja atualizar o texto e perder todas as alterações feitas no painel de " "visualização do deck de entrada OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 #, fuzzy msgid "True" msgstr "Verdade" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Renderize os eixos de referência no canto da tela." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Gerenciar Plugins…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Instalador de Pacotes" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Instalar, atualizar e remover pacotes do Avogadro." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Erro ao baixar a lista de plugins: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Erro: resposta vazia do servidor." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Erro ao obter o arquivo README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nada Selecionado" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Marque a caixa ao lado de um plugin para instalá-lo ou atualizá-lo." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (requer %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Incompatibilidade de Versões" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Estes plugins necessitam uma versão mais nova do Avogadro:\n" "\n" "%1\n" "\n" "Instalar assim mesmo?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "Sem Download Disponível" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Os plugins selecionados não fornecem um URL com fontes para download:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Falha ao seguir o redirecionamento ao transferir %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Falha ao baixar de %1: status %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Falha ao baixar de %1: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Transferindo %1 até %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "A extrair %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extração concluída (%1 arquivos)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Erro: não foi possível mover o pacote extraído %1 para %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Erro ao extrair: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "A extração não gerou nenhum arquivo.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Instalação concluída.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nada a Remover" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Marque a caixa ao lado de um plugin instalado para removê-lo." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Remover Plugins" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Remover %n plugin selecionado?" msgstr[1] "Remover %n plugin(s) selecionados?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Manter arquivos" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Deletar Arquivos" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Selecionar Pasta do Plugin" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Diretório Inválido" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "O diretório (pasta) selecionado não contém um arquivo pyproject.toml." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Plugin já instalado como link simbólico: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "Criado link simbólico: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" "A criação do link simbólico falhou; em vez disso, os arquivos serão " "copiados…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Falha ao copiar o pacote para %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Instalando plugin de %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Não instalado" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Instalado (atualizado)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Atualização disponível" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Instalado localmente (não no catálogo online)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Requer Avogadro %1 ou superior (está usando %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Ícones de recursos:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versão" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Características" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Descrição" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Eletrostática" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Modelos de Energia" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Formatos de Arquivos" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Geradores de Entrada" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Comandos" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ERRO: não foi possível abrir o arquivo zip para listar o conteúdo.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ERRO: não foi possível abrir o arquivo zip para extrair os arquivos.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Alerta: (%1)" #: qtplugins/playertool/playertool.cpp:51 #, fuzzy msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Ferramenta de Animação\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Quadro:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Início:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Fim:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Ligações dinâmicas?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Taxa de quadros:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " QPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 #, fuzzy msgid "Play" msgstr "Reproduzir" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Gravar…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pausar" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Vídeo (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exportar Gráficos Bitmap" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Filme (*.mp4);;Filme (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Aviso GIF FPS suportado" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "O formato de arquivo GIF não oferece suporte a taxas de quadros acima de 100 " "FPS (qps)." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Erro: não é possível adicionar quadro ao vídeo." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Ferramenta Player" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reproduzir trajetórias" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Análise de Confôrmero" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Tipo de Gráfico:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Velocidades" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Unidades de Energia:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Energia Relativa (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Forças (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Velocidades (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 #, fuzzy msgid "Plot Pair Distribution Function…" msgstr "Traçar Função de Distribuição de Pares…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Falha ao criar padrão PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Mensagem de erro: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "TracePdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Criar e desenhar uma curva Função de Distribuição de Pares (PDF)." #: qtplugins/plotxrd/plotxrd.cpp:36 #, fuzzy msgid "Plot Theoretical XRD Pattern…" msgstr "Traçar Padrão DRX Teórico…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Falha ao criar padrão DRX" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Falha ao converter a molécula para o formato CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Os dados lidos do genXrdPattern parecem estar corrompidos!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Erro: não foi possível encontrar o executável genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Erro: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "TraceDrx" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Criar e desenhar um padrão de DRX teórico usando ObjCryst ++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #, fuzzy msgid "Update" msgstr "Atualizar" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Erro ao baixar os dados do plugin." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Erro ao analisar os dados do plugin." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Este plugin requer a instalação de certos pacotes.\n" "Deseja instalá-los?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Sempre" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Nunca" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Falha ao baixar de %1: código de status %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extraindo %1 para %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Concluídos %1 arquivos\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extração concluída com sucesso\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, fuzzy, qt-format msgid "Error while extracting: %1" msgstr "Erro ao extrair: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Instalação cancelada\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Baixar Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Baixar Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Baixar plugins dos repositórios do GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Renderização PLY…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Salvar Arquivo" #: qtplugins/ply/ply.cpp:69 #, fuzzy msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Texto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Renderizar a cena usando PLY." #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Texto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Renderizar a cena usando o POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Clique para mudar cor" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valência" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Carga formal" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Carga Parcial %1" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Rótulo" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Isótopo" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Cores" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:666 #, fuzzy msgid "Start Atom" msgstr "Iniciar Animação" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Ligar Átomos" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Ordem da Ligação" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Comprimento (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "Cadeias" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Estrutura Secundária" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterogênea" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vértice" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Ângulo (°)" #: qtplugins/propertytables/propertymodel.cpp:745 #, fuzzy msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energia (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Ajustar Fragmento" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π-Hélice" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Dobra" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Hélice" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "Folha-beta" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "Ponte β" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Curvatura" #: qtplugins/propertytables/propertymodel.cpp:1209 #, fuzzy msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Espiral" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Propriedades do Átomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Propriedades da Ligação…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Propriedades do Ângulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Propriedades de Torsão…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Propriedades do Resíduo…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Propriedades do Confôrmero…" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Janelas para exibir propriedades de átomo. ligação, ângulo e torsão." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propriedades" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Propriedades do Átomo" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Propriedades da Ligação" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Propriedades do Ângulo" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Propriedades de Torsão" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Propriedades do Confôrmero" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Propriedades do Resíduo" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Tipo de Carga Parcial" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Selecionar o tipo de carga parcial:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Tipo de Carga Parcial…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Travar Átomo" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Travar X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Travar Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Travar Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Destravar Átomo" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Restringir Ligação" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Restringir Ângulo" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Restringir Torsão" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Restringir Remover" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Não foi possível ler o arquivo %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Falha ao criar um arquivo temporário." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renderiza primitivas usando propriedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Gráfico Molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Gráfico Molecular com Pares Isolados…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Carga Atômica…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Abrir Arquivo WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Arquivos WFN (*.wfn);;Todos os arquivos (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensão QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Entrada Quantum" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Gerar entrada para pacotes de química quântica." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centralizar" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Alinhar Visão aos Eixos" #: qtplugins/resetview/resetview.cpp:53 #, fuzzy msgid "Align view to axes." msgstr "Alinhar Visão aos Eixos." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Redefinir visualização" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipular câmera de visualização." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Carregar modelos eletrostáticos a partir de scripts externos." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Formatos de Arquivo de Script" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Carregar leitores/gravadores de arquivos de scripts externos." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selecionar Tudo" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Limpar Seleção" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inverter Seleção" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Selecionar por elemento…" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Selecione o Índices Átomos…" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Selecionar por Resíduo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Selecione os Átomos da Cadeia Principal…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Selecione os Átomos da Cadeia Lateral…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Selecionar Água" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Ampliar Seleção" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Reduzir Seleção" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Criar Nova Camada a partir da Seleção" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Mudar seleções" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecionar" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Selecionar Elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Selecionar Cadeia Principal" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Selecionar Cadeia Lateral" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Selecionar Átomos por Índice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Átomos a Selecionar:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Selecionar Átomo" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Selecionar Átomos por Resíduo" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Resíduos a Selecionar:" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Selecionar Resíduo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Selecionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Seleção" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Ferramenta de Seleção (%1)\n" "\n" "Botão esquerdo do mouse: Clique para selecionar átomos, resíduos ou " "fragmentos individuais\n" "\tArraste para selecionar um intervalo de átomos.\n" "Botão direito:\tClique fora da molécula para limpar a seleção.\n" "Use Ctrl para alternar a seleção e Shift para adicionar à seleção.\n" "Clique duplo:\t Seleciona um fragmento todo." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Pintar Átomos" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Ferramenta de Seleção" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Perceber Grupo Espacial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetrizar" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reduzir para Unidade Assimétrica" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Completar Célula Unitária…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Preencher a Célula de Translação…" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Grupo de Espaço" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Falha" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepção do Grupo de Espaço falhou.\n" "Gostaria de tentar novamente com uma tolerância diferente?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Redução Primitiva" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "A tolerância está definida como: %1.\n" "Continuar com esta tolerância?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Redução de Primitivas falhou.\n" "Por favor, verifique seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Convencionalização da Célula falhou.\n" "Por favor, verifique seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Simetrização falhou.\n" "Por favor, verifique seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "Com uma tolerância de %1 Å, as informações do grupo espacial foram " "consideradas as seguintes:\n" "Número Internacional: %2\n" "Símbolo de Hall: %3\n" "Símbolo Internacional: %4\n" "\n" "Prosseguir com este grupo espacial?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Selecione a tolerância em Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triclínica" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoclínica" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Ortorrômbica" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Romboédrica" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Cúbica" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internacional" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Selecionar Grupo de Espaço" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "GrupoEspaço" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Recursos do grupo espacial para cristais." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Espectro" #: qtplugins/spectra/spectra.h:34 #, fuzzy msgid "Display spectra plots." msgstr "Mostrar espectros." #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infravermelho" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "CD Vibracional" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "CD Magnético" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elétron" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Densidade dos Estados" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Número de onda (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmissão" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensidade" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Densidade" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Superfície" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volume" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Estilo:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Ocupação" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidade Eletrônica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Do Arquivo" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " de %0" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Criar Superfícies…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Renderizar a superfície de van der Waals." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Renderizar a superfície molecular de van der Waals." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Renderizar a superfície molecular acessível ao solvente." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Renderizar a superfície molecular excluída do solvente." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Renderizar um orbital molecular." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Renderizar a densidade eletrônica." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Renderizar a densidade de spin." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Renderizar um cubo fornecido com o arquivo." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cubo %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Calculando a densidade eletrônica" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Calculando a densidade de spin" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculando o orbital molecular %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Superfície Concluída" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Exportar Vídeo" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Vídeo MP4 (*.mp4);;Vídeo AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Não foi possível encontrar o widget de renderização ativo; falha." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Ler e renderizar superfícies." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 #, fuzzy msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Renderizar a cena em um arquivo SVG." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Classe" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Fornecer funcionalidade de simetria." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Desenha elementos de simetria." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Exibição simples de esferas VdW." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Iniciar Animação" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Parar Animação" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy msgid "Vibrational Modes…" msgstr "Modos Vibracionais…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Selecionar o modo de vibração." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibração" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy msgid "Display vibrational modes." msgstr "Mostrar modos vibracionais." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Texto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderizar a cena usando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Desenha a molécula como estrutura de arame." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 falhou ao iniciar" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulário" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configurações de Cálculo" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy msgid "Placeholder text…" msgstr "Texto de espaço reservado…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy msgid "Debug Script…" msgstr "Depurar script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Submeter Cálculo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Salvar Entrada…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Fila e Programa:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Atualizar" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Número de núcleos do processador a reservar para este " "trabalho.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Núcleos do processador:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Excluir arquivos de trabalho remotos após concluir " "trabalho. Os resultados ainda serão copiados primeiro para o cache de " "trabalho MoleQueue local.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Apagar arquivos remotos ao terminar:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Marcar para evitar que este trabalho apareça na GUI " "MoleQueue por padrão.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ocultar trabalho em MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Mostrar uma notificação pop-up do sistema quando o " "status do trabalho mudar.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Mostrar notificações de progresso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Abrir resultado ao terminar:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renomear Elementos" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Inserir Fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtro:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Digite um nome ou parte de um nome para mostrar apenas os arquivos " "correspondentes." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserir" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Trecho de código 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiar para a Área de Transferência" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Estrutura do Arquivo de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Gerar Arquivo de Entrada a partir de arquivo PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Arquivo PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de Força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Executar PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Carregar arquivo PQR existente" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Arquivo PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Arquivo de Entrada APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Salvar Arquivo de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Executar APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sucesso!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Carregar Arquivo de Estrutura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Carregar arquivo Cube" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carga Parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerância de Distância:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distância Mínima:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Adicionar" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de Coordenadas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unidade de Distância:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Especificação de formato. Cada caracter indica um " "valor a escrever por átomo:

# " "- Índice de átomo (1, 2, ..., numAtoms)
Z - Número Atômico (e.g. \"6\" para carbono)
G - número atômico estilo GAMESS (e.g. " "\"6.0\" para carbono)
N - Nome " "do elemento (e.g. \"Carbono\")
S - Símbolo do elemento (e.g. \"C\" para carbono)
x - posição coordenada X
y - posição coordenada Y
z - posição coordenada Z
a - coordenada de rede 'a' (em cristais)
b - coordenada de rede 'b' (em " "cristais)
c - coordenada de " "rede 'c' (em cristais)
_ - Um " "espaço literal (\" \"), útil para alinhar
0 - Um 0 literal (\"0\"), útil para otimizar " "marcadores
1 - Um 1 literal " "(\"1\"), útil para otimizar marcadores

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Ajuda…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Colar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Limpar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrada CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Limpar Tudo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Padrões" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Salvar Arquivo…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuração &Básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "trabalho" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipo Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensão de arquivo para conversão Open Babel (padrão - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parâmetros de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opções de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetir A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetir B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetir C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriz da Célula:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriz Fracionária:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Reverter" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ocultar" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escala do Volume da Célula Unitária" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Novo &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "&Scaling Factor:" msgstr "Fator de Escala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume Atual:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordem da Ligação:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Critérios de Convergência" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Energy convergence:" msgstr "Energia de convergência:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unidades" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " passos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Método de Otimização" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Campo de força:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetectar" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Em:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidade:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Com:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy msgid "Import From PQR…" msgstr "Importar de PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Buscar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinônimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "fórmula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Procurar por: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Fórmula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nome:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) #, fuzzy msgid "Insert Nucleic Acids" msgstr "Inserir ácidos núcleos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequencia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Outro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Simples" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dupla" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Ácido Aspártico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteína" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Ácido Glutâmico" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gli" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirosina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tir" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofano" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lisina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lis" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Aminoácidos:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Sequência (N até C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Estereoquímica:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Estação N:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Estação C:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Estrutura:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Cadeia Normal" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α Hélice" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π Hélice" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Número da Cadeia:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "O número da cadeia para o novo peptídeo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrada LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentários do arquivo de entrada" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Selecione o estilo de unidade a ser usado durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unidades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elétron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial da Água" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Selecione atom_style usado pelo arquivo de dados." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estilo do Átomo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ângulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atômico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ligação" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "completo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "pacote de ondas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Indique o nome a ser usado para o arquivo de coordenadas." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Arquivo de Dados de Coordenadas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Conjunto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Selecione o número de cadeias Nosé-Hoover no conjunto NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadeias NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalo de tempo para a simulação em unidades de acordo com a " "especificação \"Unidades\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nome do arquivo XYZ a ser escrito durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Despejar XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Número de dimensões do sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensões" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Alterar o estilo do limite Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Alterar o estilo do limite Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Alterar o estilo do limite Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selecionar estilos de borda nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Borda" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Número de replicantes nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicar direção X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicar direção Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicar direção Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Número total de etapas de tempo para executar a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total de Etapas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Defina as velocidades iniciais do átomo para a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocidades Iniciais" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Selecionar distribuição das velocidades iniciais do átomo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussiana" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Definir velocidades iniciais do átomo para corresponder a esta temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remover momento linear do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momento Linear Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remover momento angular do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momento Angular Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlar saída termodinâmica durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estilo de Saída Termodinâmica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Uma Linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Criar…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descritor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origem" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "X-axis" msgstr "Eixo X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eixo Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eixo Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Mover:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Átomos Selecionados" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Todo o Resto" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Busca Conformacional" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Número de confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Busca sistemática de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Busca aleatória de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Busca ponderada de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy msgid "Genetic algorithm search" msgstr "Buscar Algoritmo Genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Convergência:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmo de otimização:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Técnica de busca em linha:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simples" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Método de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "distância de corte de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frequência de atualização do par:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distância de corte eletrostático:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energia\" de convergência:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Construtor de Script OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Script do trabalho:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordenadas de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologia de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo de Força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvente Implícito (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plataforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referência" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "simples" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dupla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Índice da Plataforma OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Restrições:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Velocidade inicial aleatória:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrador:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Browniano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Taxa de colisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostato:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo do Barostato" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy msgid "Equilibration Steps:" msgstr "Etapas de Equilíbrio:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Etapas de Produção:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizar?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opções StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Rapidez" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progresso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energia Potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energia Cinética" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia Total" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Procurar plugins…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Instalar do Diretório…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Remover Selecionado" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Instalar/Atualizar Selecionado" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opções para traçar PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Raio Máximo:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Etapa (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opções de Padrão de DRX Teórico" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

O alargamento do pico na base (em graus).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

O valor 2theta máximo em graus.

Padrão: 162.00°" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

O alargamento dos picos na base em graus.

Padrão: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Número de pontos:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Comprimento de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

O comprimento de onda do raio-x em angstroms.

Padrão: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

O número de pontos 2theta a criar.

Padrão: 1000" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selecionados" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raio do Ponto Crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raio do Caminho da Ligação:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamanho Constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplicar Cor" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Fator de Escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Unidades:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparência" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectro Importado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Tamanho da Fonte:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Largura da Linha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importa um arquivo TSV de espectros experimentais para sobrepor ao gráfico." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Importar…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fundo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Espectro Calculado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Exportar…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar Dados" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Fechar" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Duplo clique esquerdo: Restaura limites padrão de eixos\n" "Clique direito + arrastar: Move gráfico\n" "Clique do meio + arrastar: Zoom na região\n" "Roda do mouse: Zoom para o cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Muito Baixo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baixo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Médio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Muito Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configurar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Criar Superfícies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Superfície:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Cor por:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potencial Eletrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolução:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor da Isosuperfície:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #, fuzzy msgid "Record Movie…" msgstr "Gravar Vídeo…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Átomos simetricamente equivalentes:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operações" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementos de simetria:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupos" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupos:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerância:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Larga" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detectar Simetria" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Centralizar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Carga formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordenação:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octaédrico" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraédrica" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Quadrado Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Bipiramidal Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Piramidal Quadrada" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Prisma Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Bipiramidal Pentagonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Antiprisma Quadrado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligantes" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Háptico" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "Da Área de Transferência" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligante:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amida" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxilato" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "éster" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etileno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "etino" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfato" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonato" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modos Vibracionais" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Mín y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

O nível de Fermi deve ser conhecido antes de marcar " "esta caixa. Você pode descobri-lo ao calcular a densidade de estados e " "exibir os dados (ele aparecerá no topo dos dados). Além disso, se fizer um " "cálculo da densidade de estados, o nível de Fermi aqui será automaticamente " "definido para o valor detectado durante aquele cálculo.

Se esta caixa " "estiver marcada, certifique-se de que o nível de Fermi correto esteja " "definido na caixa de seleção à direita.

Padrão: desativado

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Fermi Zero?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "Número de pontos k a conectar pontos k especiais:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Pontos k especiais" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Máx y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

O Nível de Fermi

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Insira os pontos k especiais da seguinte forma:

L 0,5 0,5 0,5

G 0,0 0,0 0,0

X 0,5 0,0 0,5

Ou " "seja,<símbolo> <x><y><z> onde x, y e z são " "coordenadas fracionárias do espaço recíproco. Linhas serão desenhadas " "conectando esses pontos k no gráfico na ordem em que você os inserir. " "Observe que a orientação da sua célula pode afetar a localização desses " "pontos do espaço recíproco.

Se o grupo espacial do cristal tiver sido " "identificado ou definido, os pontos k especiais serão preenchidos " "automaticamente com os pontos de alta simetria da célula primitiva para esse " "grupo espacial. Existem alguns grupos espaciais com diferentes pontos de " "alta simetria dependendo da rede (como se a > b ou a< b) - isso é " "levado em consideração automaticamente.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Número de Dimensões:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Seus nomes" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Seus e-mails" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "A opção '%1' não se refere a um objeto." #, qt-format #~ msgid "Tab %1" #~ msgstr "Aba %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Erro: o valor deve ser objeto para a chave '%1'." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Editar mapa de opacidade de cor …" #~ msgid "ColorOpacityMap" #~ msgstr "ColorOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Editar mapas de opacidade de cores, principalmente para renderização de " #~ "volume." #~ msgid "Volume Rendering" #~ msgstr "Renderizando Volume" #~ msgid "Cube" #~ msgstr "Cubo" #~ msgid "Enable volume rendering" #~ msgstr "Ativar renderização de volume" #~ msgid "Enable surface rendering" #~ msgstr "Ativar renderização de superfície" #~ msgid "Isovalue" #~ msgstr "Isovalor" #, fuzzy, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Não foi possível carregar o script %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Verificando %1 scripts no caminho %2" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, fuzzy, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Ângulos:" #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid " atm" #~ msgstr " atm" #, fuzzy #~ msgid " " #~ msgstr " " #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(pendente)" #~ msgid "Reference Axes Overlay" #~ msgstr "Sobreposição de Eixos de Referência" #~ msgid "Meshes" #~ msgstr "Malhas" #, fuzzy #~ msgid "Plot RMSD curve…" #~ msgstr "Traçar curva RMSD…" #~ msgid "PlotRmsd" #~ msgstr "TraceRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Criar e desenhar uma curva RMSD." #~ msgid "Max 2*theta:" #~ msgstr "Máx 2*theta:" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Janelas para exibir propriedades de átomo. ligação, ângulo e torsão." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Alinhar Moléculas \n" #~ "\n" #~ "Botão Esquerdo do Mouse: \tSelecionar até dois átomos. \n" #~ "\tO primeiro átomo se centraliza na origem. \n" #~ "\tO segundo átomo está alinhado com o eixo selecionado. \n" #~ "Botão Direito do Mouse: \tMudar o alinhamento. \n" #~ "Duplo clique: \tCentralizar o átomo na origem." #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Ferramenta Desenhar (%1)\n" #~ "\n" #~ "Botão esquerdo do mouse: Clique e arraste para criar átomos e ligações\n" #~ "Botão direito do mouse: Exclua átomo" #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Ferramenta de Navegação (%1)\n" #~ "\n" #~ "Mouse Esquerdo: Clique e arraste para girar a visualização.\n" #~ "Mouse do Meio: Clique e arraste para ampliar ou reduzir.\n" #~ "Mouse Direito: Clique e arraste para mover a visualização.\n" #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analítica" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Importar..." #~ msgid "Set Color..." #~ msgstr "Mudar Cor..." #~ msgid "&Export..." #~ msgstr "&Exportar..." #~ msgid "&Load data..." #~ msgstr "&Carregar dados..." #~ msgid "Partial Charge" #~ msgstr "Carga Parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animação" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Exibição simples de esferas VdW com oclusão ambiental." #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Adicionar Célula Unitária" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Índices dos Átomos" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distância:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Índices dos Átomos" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Copiar" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Carga da Molécula:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa Molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula Química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de Ligações:" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Largura do pico:" #, fuzzy #~ msgid "In." #~ msgstr "Em:" #~ msgid "ABPS Input (*.in)" #~ msgstr "Entrada ABPS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Selecionar o interpretador python usado para executar scripts de criador " #~ "de entrada.\n" #~ "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Definir Caminho Python..." #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento..." #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funcional" #~ msgid "Help..." #~ msgstr "Ajuda..." #~ msgid "Submit Calculation..." #~ msgstr "Submeter Cálculo..." #~ msgid "Save File..." #~ msgstr "Salvar Arquivo..." #~ msgid "Record Movie..." #~ msgstr "Gravar Vídeo..." #~ msgid "Other..." #~ msgstr "Outro..." #~ msgid "Client server operations." #~ msgstr "Operações cliente-servidor." #~ msgid "S&erver" #~ msgstr "S&ervidor" #~ msgid "Connection failed" #~ msgstr "Falha na conexão" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "A conexão com %2:%3 falhou: conexão recusada." #~ msgid "Remote service error" #~ msgstr "Erro no servidor remoto" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "A conexão falhou com: %1" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Servidor cliente" #~ msgid "Connection refused" #~ msgstr "Conexão recusada" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Conexão a %2:%3 bem-sucedida!" #~ msgid "Filename" #~ msgstr "Nome do arquivo" #~ msgid "Formula" #~ msgstr "Fórmula" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "Servidor Mongo Chem" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interface com Servidor Mongo Chem." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Carregar Arquivo de Estrutura" #~ msgid "Server settings" #~ msgstr "Configurações de servidor" #~ msgid "&Hostname:" #~ msgstr "Nome do &Host:" #~ msgid "Port" #~ msgstr "Porta" #~ msgid "Test C&onnection..." #~ msgstr "Testar C&onexão..." #~ msgid "Look in:" #~ msgstr "Olhar dentro:" #~ msgid "Navigate Back" #~ msgstr "Navegar para Trás" #~ msgid "Navigate Forward" #~ msgstr "Navegar para Frente" #~ msgid "Navigate Up" #~ msgstr "Navegar para Cima" #~ msgid "File name:" #~ msgstr "Nome do Arquivo:" #~ msgid "Files of type:" #~ msgstr "Arquivos do tipo:" #~ msgid "MongoChem Config" #~ msgstr "Config MongoChem" #~ msgid "API Key:" #~ msgstr "Chave API:" #~ msgid "Image:" #~ msgstr "Imagem:" #~ msgid "Input Parameters:" #~ msgstr "Parâmetros de Entrada:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome do Elemento." #~ msgid "'c' coordinate." #~ msgstr "coordenada de rede 'c'." #~ msgid "All files (*);;" #~ msgstr "Todos os arquivos (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboédrico" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Inserir Molécula..." #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "A criar molécula 3D..." #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Arquivo existe e não é gravável." #, fuzzy #~ msgid "Simple display of Cartoons family." #~ msgstr "Exibição simples de esferas VdW." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Erro ao interpretar a saída obabel CML." #~ msgid "Error generating CML data." #~ msgstr "Erro ao criar dados CML." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "Executar APBS" #, fuzzy #~ msgid "Open Output File..." #~ msgstr "Abrir Arquivo de Saída" #~ msgid "Edit Unit Cell..." #~ msgstr "Editar Célula Unitária..." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "&Import From PQR" #~ msgstr "&Importar de PQR" #~ msgid "Crystal..." #~ msgstr "Cristal..." #, fuzzy #~ msgid "Write" #~ msgstr "escrevem" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "InChI..." #~ msgstr "InChI..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Adicionar hidrogênios para pH..." #~ msgid "Atom Properties..." #~ msgstr "Propriedades dos Átomos..." #~ msgid "Bond Properties..." #~ msgstr "Propriedades das Ligações..." #~ msgid "Angle Properties..." #~ msgstr "Propriedades do Ângulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propriedades das Torsões..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propriedades da Molécula" #~ msgid "Create Surfaces..." #~ msgstr "Criar Superfícies..." #~ msgid "Symmetry..." #~ msgstr "Simetria..." #~ msgid "&Exit" #~ msgstr "Sai&r" #~ msgid "Insert Fragment..." #~ msgstr "Inserir Fragmento..." #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opção '%1' não encontrada em userOptions." #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' ausente ou não é um objeto:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teoria:" #~ msgid "Default value missing for option '%1'." #~ msgstr "Valor padrão ausente para a opção '%1'." #~ msgid "Distance: %L1 Å" #~ msgstr "Distância: %L1 Å" #~ msgid "Reset to Default Values" #~ msgstr "Redefinir para Valores Padrão" #~ msgid "Write files to disk..." #~ msgstr "Gravar arquivos no disco..." #~ msgid "Rotatable" #~ msgstr "Rotacionável" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Tamanho %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "ângulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ângulo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Torsão %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torção %1" #~ msgid "Torsion" #~ msgstr "Torsão" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sim" #~ msgid "No" #~ msgstr "Não" #~ msgid "&Quantum" #~ msgstr "&Quantum" #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir fragmentos de SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Inserir Cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Inserir fragmentos moleculares para construir moléculas maiores" #~ msgid "Plugin Downloader" #~ msgstr "Plugin de Download" #~ msgid "E&xtensions" #~ msgstr "E&xtensões" #~ msgid "Symmetry Properties..." #~ msgstr "Propriedades de Simetria..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimiza Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Otimização Geométrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Adicionar Hidrogênios" #, fuzzy #~ msgid "Stopped" #~ msgstr "Parar" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Colorir pelo índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Colorir pelo índice (vermelho, laranja, amarelo, verde, azul, violeta)" #~ msgid "Color by Partial Charge" #~ msgstr "Colorir por carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Colorir por carga atômica parcial (azul=positivo, vermelho=negativo." #~ msgid "Custom Color:" #~ msgstr "Cor personalizada:" #~ msgid "Set custom colors for objects" #~ msgstr "Definir cores personalizadas para os objetos" #~ msgid "Color by Distance" #~ msgstr "Colorir por distância" #~ msgid "Color by distance from the first atom." #~ msgstr "Colorir por distância a partir do primeiro átomo" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colorir pelo elemento (carbono = cinza, oxigênio = vermelho, ....)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colorir por resíduo (tipo de aminoácido, hidrofobicidade, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Padrão SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Destacar Cor:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Cor por padrão SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Realçar funcionalidades particulares que coincidem com o padrão SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununséptio" #~ msgid "Ununoctium" #~ msgstr "Ununoctio" #~ msgid "Engines" #~ msgstr "Mecanismos" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renderiza as primitivas usando bolas (átomos) e bastões (ligações)" #~ msgid "Hydrogen Bond" #~ msgstr "Ligação de Hidrogênio" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderiza ligações de hidrogênio" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecione a Cor da Etiqueta do Átomo" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecione a Fonte da Etiqueta do Vínculo" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renderiza átomos como tetraedro, octaedro e outros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderiza cadeias principais (protein backbones) como fitas" #~ msgid "Ring" #~ msgstr "Anel" #~ msgid "Renders rings with colored planes" #~ msgstr "Renderiz anéis com planos coloridos" #~ msgid "Simple Wireframe" #~ msgstr "Estrutura de Arame Simples" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Renderiza ligações como arames (linhas), ideal para moléculas grandes" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Bastão" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidade eletrônica, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Renderiza moléculas como arames (linhas), ideal para (bio)moléculas muito " #~ "extensas" #~ msgid "Trajectory files" #~ msgstr "Arquivos de trajetórias" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Arquivos DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir Arquiv de Trajetória" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Acrescentando extensão .avi" #~ msgid "Animation..." #~ msgstr "Animação..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Não foi possível ler a extensão do arquivo %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Leitura do arquivo de trajetória %1 falhou." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Deve especificar um nome válido para arquivo .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "O widget (elemento de interface) GL não foi iniciado corretamente para " #~ "poder salvar vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome inválido para arquivo de video. Deve-se incluir o caminho completo " #~ "para o diretório" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome inválido para arquivo de video. Deve-se incluir o caminho completo " #~ "para o diretório e nome, terminando com .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Não foi possível determinar o formato do arquivo: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animar trajetórias, reações e vibrações." #~ msgid "Cartesian Editor" #~ msgstr "Editor Cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Sem célula unitária definida por molécula -- não pode usar coordenadas " #~ "fracionárias." #~ msgid "Cartesian Editor..." #~ msgstr "Editor Cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de ligações rotacionáveis: %1" #~ msgid "Add constraint" #~ msgstr "Adicionar restrição" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos um átomo para adicionar uma restrição" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos dois átomos para adicionar uma " #~ "restrição de ligação" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos três átomos para adicionar uma " #~ "restrição angular" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos quatro átomos para adicionar uma " #~ "restrição de torsão" #~ msgid "&Crystallography" #~ msgstr "&Cristalografia" #~ msgid "&Reduce" #~ msgstr "&Reduzir" #~ msgid "&Length Unit" #~ msgstr "&Unidade de comprimento" #~ msgid "&Angle Unit" #~ msgstr "Unidade de Â&ngulo" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordenada &Preservação" #~ msgid "&Matrix Display" #~ msgstr "&Display da Matriz" #~ msgid "Show &Editors" #~ msgstr "Exibir &Editores" #~ msgid "Hide &Property Display" #~ msgstr "Ocultar Tela de &Propriedades" #~ msgid "Show &Property Display" #~ msgstr "Exibir Tela de &Propriedades" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo de rede: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Grupo espacial: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unidade de volume da célula: %L1%2" #~ msgid "Undefined" #~ msgstr "Indefinido" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorômbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "Paste Crystal" #~ msgstr "Colar Cristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Falha na redução Niggli. A estrutura de entrada está confundindo o " #~ "algoritmo de redução Niggli. Tente fazer uma pequena perturbação (cerca " #~ "de 2 ordens de magnitude menor do que a tolerância) para a entrada de " #~ "reticulados e tente novamente." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Falha ao reduzir célula após 1000 iterações do algoritmo de redução. " #~ "Interrompendo." #~ msgid "Perceive Space&group..." #~ msgstr "Sugerir Grupo Espacial" #~ msgid "Set &Spacegroup..." #~ msgstr "Definir &Spacegroup" #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Célula Unitária" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Preencher célula unitária usando o grupo espacial atual" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduzir Célula (&Primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanômetro" #~ msgid "&Picometer" #~ msgstr "&Picômetro" #~ msgid "&Degree" #~ msgstr "&Grau" #~ msgid "&Radian" #~ msgstr "&Radiano" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Cartesianas Durante Modificação da Célula" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Fracionais Durante Modificação da Célula" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar matriz &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostrar matriz &fracional" #~ msgid "Display as &row vectors" #~ msgstr "Mostrar como &row vetores" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como &column vetores" #~ msgid "&Crystal View Options..." #~ msgstr "&Cristal Opções de Visualização" #~ msgid "Crystallography" #~ msgstr "Cristalografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construir e analisar estruturas periódicas" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "No GLWidget?" #~ msgstr "Sem GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Favor selecionar um ou mais átomos." #~ msgid "Trajectory..." #~ msgstr "Trajetória..." #~ msgid "Open chemical file format" #~ msgstr "Abrir formato de arquivo químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Arquivos químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir arquivo de parâmetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Arquivos químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar Trajetória" #~ msgid "Import trajectory files" #~ msgstr "Importa arquivos de trajetória" #~ msgid "Calculate Energy" #~ msgstr "Calcular Energia" #~ msgid "Conformer Search..." #~ msgstr "Busca Conformacional..." #~ msgid "Constraints..." #~ msgstr "Restrições..." #~ msgid "ForceField" #~ msgstr "Campo de Força" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiza moléculas e gera conformações (confórmeros) por meio de campos " #~ "de força de mecânica molecular (MM)" #~ msgid "Common vector image formats" #~ msgstr "Formatos comuns de imagens vetoriais" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Trocar H por Metil" #~ msgid "H to Methyl" #~ msgstr "H para Metil" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformar hidrogênios em grupos metila" #~ msgid "Add or remove hydrogens" #~ msgstr "Adiciona ou remove hidrogênios" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Inserir cadeias de DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptídeo..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserir sequências de oligopeptídeo" #~ msgid "Invert Chirality" #~ msgstr "Inverter Quiralidade" #~ msgid "Invert chiral centers" #~ msgstr "Inverter centros quirais" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconhecido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento Dipolar Estimado (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Exibir propriedades moleculares padrões" #~ msgid "Fetch by chemical name..." #~ msgstr "Buscar pelo nome químico..." #~ msgid "Fetch from URL..." #~ msgstr "Buscar na URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB para download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL da molécula para baixar." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "A molécula especificada não pode ser carregada: %1" #~ msgid "Network Fetch" #~ msgstr "Busca da Rede" #~ msgid "Fetch molecule files over the network." #~ msgstr "Busca de arquivos de moléculas através da rede." #~ msgid "no file found" #~ msgstr "arquivo não encontrado" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Há algo errado na estrutura do arquivo" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Há algo errado na estrutura do arquivo - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Há algo errado na saída do IV! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Há algo errado na saída do raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Há algo errado na saída da energia do orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Não foi encontrada geometria no arquivo!" #~ msgid "Could not read file!" #~ msgstr "Não foi possível ler o arquivo!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analisar Saída Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Exemplo de Teste Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Fornece uma caixa de diálogo com as palavras \"H ...\"." #~ msgid "Show Preview" #~ msgstr "Mostrar Pré-visualização" #~ msgid "Hide Preview" #~ msgstr "Ocultar Pré-visualização" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Savar imagem com renderização POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Arquivos de imagem (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Não foi indicado nome válido de arquivo." #~ msgid "Does not compute." #~ msgstr "Não computa." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Você não requisitou nenhuma renderização direta usando POV-Ray nem " #~ "requisitou manter o arquivo do POV-Ray. Isso resultará que nenhuma saída " #~ "será guardada. Tem certeza de que é isso que quer?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "O arquivo %1 não pode ser escrito. Você tem permissões para escrever " #~ "neste local?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray falhou ao iniciar." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray não conseguiu iniciar corretamente. Confira se está correto o " #~ "caminho para seu executável." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Criar arquivos POV-Ray e renderizá-los usando a linha de comandos do " #~ "programa POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propriedades do Confórmero..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Console Interativo do Python" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Gostaria de atualizar o texto prévio, perdendo todas as mudanças feitas " #~ "no arquivo de entrada de dados Dalton?" #~ msgid "QM Matches" #~ msgstr "Resultados para MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Seleção de EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Seleção MQ..." #~ msgid "You must make a selection!" #~ msgstr "Você deve fazer uma seleção!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversão para SMILES Indisponível" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversão para o Formato SMILES Não Disponível!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Criar arquivos de entrada de dados para o pacote de química quântica " #~ "GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Configurações Avançadas Modificadas" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "As configurações avançadas foram modificadas.\n" #~ "Descartar?" #~ msgid "Advanced Settings Reset" #~ msgstr "Restaurar Configurações Avançadas" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem certeza que deseja restaurar as configurações avançadas?\n" #~ "Todas as modificações serão perdidas!" #~ msgid "Basic Settings Reset" #~ msgstr "Restaurar Configurações Básicas" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem certeza que deseja restaurar as configurações básicas?\n" #~ "Todas as modificações serão perdidas!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Holerite Gaussiano" #~ msgid "Gaussian Running." #~ msgstr "A rodar Gaussian." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian já está a rodar. Espere até que os cálculos sejam concluídos." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Não Instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "O executável do G03 não foi encontrado." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 não iniciou. Talvez ele não esteja corretamente instalado." #~ msgid "Running Gaussian calculation..." #~ msgstr "A rodar cálculo Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 Travou." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian não rodou corretamente. Talvez não esteja corretamente instalado." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussiano..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "Alerta Holerite MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Executando MOPAC." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC já está em execução. Aguarde até que termine os cálculos." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC não está instalado." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "O executável MOPAC não foi encontrado." #~ msgid "MOPAC failed to start." #~ msgstr "Falha ao iniciar MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC não iniciou. Talvez não esteja corretamente instalado." #~ msgid "Running MOPAC calculation..." #~ msgstr "Executando cálculo do MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC trancou." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC não foi executado corretamente. Talvez não esteja corretamente " #~ "instalado." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Holerite NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Holerite Q-Chem" #~ msgid "Select SMARTS..." #~ msgstr "Selecione SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Adicionar seleção nomeada..." #~ msgid "SMARTS Selection" #~ msgstr "Seleção SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Padrão SMARTS para selecionar" #~ msgid "There is no current selection." #~ msgstr "Não há nada selecionado." #~ msgid "Add Named Selection" #~ msgstr "Adicionar Nome à Seleção" #~ msgid "Name cannot be empty." #~ msgstr "Deve-se preencher com o nome." #~ msgid "There is already a selection with this name." #~ msgstr "Já existe uma seleção com esse nome." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecionar átomos, ligações, resíduos..." #~ msgid "GLSL Shaders..." #~ msgstr "Shaders GLSL..." #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Arquivos vertex shader (*.vert)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitância (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbância (%)" #~ msgid "No intensities" #~ msgstr "Sem intensidades" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Os dados vibracionais da molécula que você carregou não contém dados de " #~ "intensidade. Intensidades foram configuradas para um valor arbitrário " #~ "para a visualização." #~ msgid "Activity" #~ msgstr "Atividade" #~ msgid "X Axis" #~ msgstr "Eixo X" #~ msgid "Y Axis" #~ msgstr "Eixo Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Configurações do Espectro de &Infravermelho" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Configurações do Espectro &RMN" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "No data" #~ msgstr "Sem dados" #~ msgid "Dark" #~ msgstr "Escuro" #~ msgid "Publication" #~ msgstr "Publicação" #~ msgid "New Scheme" #~ msgstr "Novo Esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Conformar Remoção de Esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Remover esquema atual?" #~ msgid "Change Scheme Name" #~ msgstr "Alterar Nome do Esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Fornça novo nome ao esquema atual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores Separados por Tabulação (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valores Separados por Tabulação" #~ msgid "Comma Separated Values" #~ msgstr "Valores Separados por Vírgula" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensão desconhecida: %1" #~ msgid "Data Format" #~ msgstr "Formato de Dados" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato" #~ msgid "Load Spectral Data" #~ msgstr "Carregar Dados Espectrais" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "salvar Imagem do Espectro" #~ msgid "&Spectra..." #~ msgstr "E&spectro..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar dados espectrais a partir de cálculos de química quântica" #~ msgid "Vibrational Analysis" #~ msgstr "Análise Vibracional" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar modos de vibração a partir de cálculos de química quântica" #~ msgid "Super Cell Builder..." #~ msgstr "Construtor de Supercélula..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Esse documento é uma molécula isolada. Você precisa criar uma célula " #~ "unitária." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Contrói e exibe supercélulas cristalográficas" #~ msgid "Orbitals" #~ msgstr "Orbitais" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidade Eletrônica" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculando Cubo VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "O widget GL não foi inicializado corretamente, impossibilitando que se " #~ "grave um vídeo." #~ msgid "Building video " #~ msgstr "Criando video " #~ msgid "Could not run mencoder." #~ msgstr "Não foi possível rodar mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Mudar a Razão de Aspecto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "A cena atual do Avogadro tem tamanho de %1x%2 pixels, e portanto tem " #~ "razão de aspecto %3.\n" #~ "Você pode manter este valor, se pretender por exemplo utilizar POV-Ray\n" #~ "para produzir uma imagem de %4x1000 pixels, ou pode inserir qualquer " #~ "outro valor positivo,\n" #~ "por exemplo 1 se pretende utilizar POV-Ray para produzir uma imagem " #~ "quadrada, como 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Conectar" #~ msgid "Disconnect" #~ msgstr "Desconectar" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexto OpenGL Inválido.\n" #~ "Algo está totalmente danificado em sua instalação OpenGL (você consegue " #~ "executar qualquer aplicação OpenGL?), ou você encontrou um bug." #~ msgid "Debug Information" #~ msgstr "Informações de Debug" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Tamanho da Visualização: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Átomos: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "O Tipo de arquivo '%1' não é suportado." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "O tipo de arquivo '%1' não por ser lido." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Falha ao ler molécula com índice %1 do arquivo '%2'." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Tipo de Arquivo '%1' não pode ser escrito." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "O formato do arquivo '%1' não pode ser escrito." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Não possível abrir o arquivo '%1'." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Falha ao substituir molécula com índice %1 no arquivo '%2'." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Arquivo %1 não pôde ser aberto para leitura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "O Arquivo %1 não pode ser aberto para escrita" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Falha ao salvar arquivo molecular - não foi possível renomear o arquivo " #~ "original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Falha ao salvar arquivo molecular - não foi possível renomear o novo " #~ "arquivo." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Falha ao salvar arquivo molecular - não foi possível remover o arquivo " #~ "antigo." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Falha ao escrever no arquivo '%1'. Falha de funcionamento do OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Arquivo %1 não pôde ser aberta para escrita." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Falha ao escrever os confórmeros no arquivo '%1'." #~ msgid "Molecule %1" #~ msgstr "Molécula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motor Python Desconhecido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: verificando " #~ msgid " - no module" #~ msgstr " - sem módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensão Python Desconhecida" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: verificando " #~ msgid "Unknown Python Tool" #~ msgstr "Ferramenta Python Desconhecida" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: verificando " #~ msgid "Tools" #~ msgstr "Ferramentas" #~ msgid "Align:" #~ msgstr "Alinhar:" #~ msgid "Everything" #~ msgstr "Tudo" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOtimização: Não foi possível habilitar o campo de força..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOtimização: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Passos por Atualização:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinâmica Molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinâmica Molecular (900k)" #~ msgid "Fixed atoms are movable" #~ msgstr "Átomos fixos são movíveis" #~ msgid "Ignored atoms are movable" #~ msgstr "Átomos ignorados são movíveis" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOtimizar Molécula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Otimização automática da geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configurações de Otimização" #~ msgid "Auto Rotation Tool" #~ msgstr "Ferramenta de Auto Rotação" #~ msgid "x rotation:" #~ msgstr "Rotação em x:" #~ msgid "x rotation" #~ msgstr "Rotação em x" #~ msgid "y rotation:" #~ msgstr "Rotação em y:" #~ msgid "y rotation" #~ msgstr "Rotação em y" #~ msgid "z rotation:" #~ msgstr "Rotação em z:" #~ msgid "z rotation" #~ msgstr "Rotação em z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotação automática de moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Definições de Autorrotação" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Comprimento de Ligação: %L1" #~ msgid " Show Angles" #~ msgstr " Exibir Ângulos" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distância (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distância (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Ângulo Diédrico: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distância(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Medir comprimentos de ligação, ângulos, e diedros" #~ msgid "Draw Bond" #~ msgstr "Desenhar Ligação" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Desenhar e editar átomos e ligações" #~ msgid "Draw Settings" #~ msgstr "Propriedades de Desenho" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Transladar, rotacionar, e ajustar átomos e fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Configurações de Manipulação" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Transladar, rotacionar, e ampliar em torno da visualização atual" #~ msgid "Navigate Settings" #~ msgstr "Configurações de Navegação" #~ msgid "Selection Mode:" #~ msgstr "Modo de Seleção:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/Ligação" #~ msgid "Residue" #~ msgstr "Resíduo" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecionar átomos, resíduos e moléculas" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Comprimento de Ligação" #~ msgid "Dihedral Angle" #~ msgstr "Ângulo Diédrico" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor Matriz Z..." #~ msgid "Z-Matrix" #~ msgstr "Matriz-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Criar/editar uma matriz-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configurações para Matriz-Z" #~ msgid "Color residues by:" #~ msgstr "Colorir resíduois por:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobia" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos Cartesianos" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos Ortogonais" #~ msgid "Axis 1:" #~ msgstr "Eixo 1:" #~ msgid "Axis 2:" #~ msgstr "Eixo 2:" #~ msgid "Axis 3:" #~ msgstr "Eixo 3:" #~ msgid "Origin:" #~ msgstr "Origem:" #~ msgid "Atom Radius:" #~ msgstr "Raio dos Átomos:" #~ msgid "Bond Radius:" #~ msgstr "Raio das Ligações:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Repetir" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom:" #~ msgstr "Personalizar:" #~ msgid "Width:" #~ msgstr "Largura:" #~ msgid "Cut-off radius:" #~ msgstr "Raio de corte:" #~ msgid "Cut-off angle:" #~ msgstr "Ângulo de corte:" #~ msgid "Text:" #~ msgstr "Texto:" #~ msgid "Partial charge" #~ msgstr "Carga parcial" #~ msgid "Residue number" #~ msgstr "Número do Resíduo" #~ msgid "Change Font" #~ msgstr "Alterar Fonte" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Bond length" #~ msgstr "Comprimento da ligação" #~ msgid "Bond number" #~ msgstr "Número da Ligação" #~ msgid "Bond order" #~ msgstr "Ordem da Ligação" #~ msgid "Radius:" #~ msgstr "Raio:" #~ msgid "Include Nitrogens" #~ msgstr "Incluir Nitorgênios" #~ msgid "VdW Opacity:" #~ msgstr "Opacidade VdW" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Renderizar:" #~ msgid "Fill" #~ msgstr "Preenchimento" #~ msgid "Points" #~ msgstr "Pontos" #~ msgid "Draw Box:" #~ msgstr "Desenhar Caixa:" #~ msgid "Mapped Colors" #~ msgstr "Cores Mapeadas" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Exbir Átomos" #~ msgid "Animate Trajectory" #~ msgstr "Trajetória animada" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Save as .avi..." #~ msgstr "Salvar como .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Apply Changes" #~ msgstr "Aplicar Alterações" #~ msgid "Paste to the End" #~ msgstr "Colar ao Final" #~ msgid "Sort by " #~ msgstr "Organizar por " #~ msgid "Number of atoms:" #~ msgstr "Número de átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Número de ligações rotacionáveis:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar Átomo" #~ msgid "Fix Atom" #~ msgstr "Fixar Átomo" #~ msgid "Fix Atom X" #~ msgstr "Fixar Átomo em X" #~ msgid "Fix Atom Y" #~ msgstr "Fixar Átomo em Y" #~ msgid "Fix Atom Z" #~ msgstr "Ficar Átomo em Z" #~ msgid "Torsion angle" #~ msgstr "Ângulo de Torsão" #~ msgid "Save" #~ msgstr "Salvar" #~ msgid "Load" #~ msgstr "Carregar" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "All" #~ msgstr "Todos" #~ msgid "File Import..." #~ msgstr "Importar Arquivo..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Tentar observar ligações?" #~ msgid "Setup Force Field" #~ msgstr "Configurar Campo de Força" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Número de passos" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "E" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa Hélice" #~ msgid "Beta Sheet" #~ msgstr "Folha Beta" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de Resíduos:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kj/mol)" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento Dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançado" #~ msgid "Control" #~ msgstr "Controle" #~ msgid "Grid" #~ msgstr "Grade" #~ msgid "POV-Ray Export" #~ msgstr "Exportar POV-Ray" #~ msgid "Select..." #~ msgstr "Selecionar..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Antialias" #~ msgstr "Suavizar" #~ msgid "Set the background color to be transparent" #~ msgstr "Definir cor de fundo transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparência alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Renderiza diretamente a molécula usando linahs de comando POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Mantém a fonte POV-Ray após a renderização ter sido concluída" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Manter fonte POV-Ray após renderizar" #~ msgid "Path:" #~ msgstr "Caminho:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Computar..." #~ msgid "Basics" #~ msgstr "Informações Básicas" #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "Parallel" #~ msgstr "Paralelo" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fino" #~ msgid "ultrafine" #~ msgstr "ultra-fino" #~ msgid "Property:" #~ msgstr "Propriedade:" #~ msgid "Polarizability" #~ msgstr "Polarizabilidade:" #~ msgid "EFP Matches" #~ msgstr "Resultados para EFP" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configurações &Avançadas" #~ msgid "Stat Point" #~ msgstr "Ponto Inicial" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Estimar OM" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "Read" #~ msgstr "Ler" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valência Duplo Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valência Triplo Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valência SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valência Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo ECP:" #~ msgid "Default" #~ msgstr "Padrão" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iterações Max SCF" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Arrastar" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremo gradiente" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transição radiativa mãe." #~ msgid "Spin Orbit" #~ msgstr "Órbita de Spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo Elétrico Finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Otimização Global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Otimização de FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensidades Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nenhum" #~ msgid "Foster-Boys" #~ msgstr "Meninos adotivos" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "Localization Method:" #~ msgstr "Método de Localização:" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinantes" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Ocupação restrita à múltiplos espaços ativos." #~ msgid "CI Singles" #~ msgstr "CI Simples" #~ msgid "Full Second Order CI" #~ msgstr "Preencher Segunda Ordem de CI" #~ msgid "CC:" #~ msgstr "CC" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearizado CC" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC Simples ou Duplos" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execução Normal" #~ msgid "Check" #~ msgstr "Verificar" #~ msgid "Debug" #~ msgstr "Depurar" #~ msgid "Run Type:" #~ msgstr "Tipo de Excução:" #~ msgid "Use MP2" #~ msgstr "Usar MP2" #~ msgid "Use DFT" #~ msgstr "Usar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Variaveis da Z-Matrix" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordem do Eixo Principal:" #~ msgid "Coordinate Type:" #~ msgstr "Tipo de Coordenada:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internos" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Usar Simetria Durante Cálculo" #~ msgid "Minutes" #~ msgstr "Minutos" #~ msgid "Hours" #~ msgstr "Horas" #~ msgid "Days" #~ msgstr "Dias" #~ msgid "Weeks" #~ msgstr "Semanas" #~ msgid "Years" #~ msgstr "Anos" #~ msgid "Millenia" #~ msgstr "Milênio" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "Memory:" #~ msgstr "Memória:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Balanceamento de carga paralelo" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Próximo Valor" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "Skip" #~ msgstr "Pular" #~ msgid "Print the Initial Guess" #~ msgstr "Mostre a Estimativa Inicial" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forçar uma verificação de tipo de execução" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "Copy text \t MELDF" #~ msgid "Solvate with Water" #~ msgstr "Solvatar com Água" #~ msgid "Direct SCF" #~ msgstr "Direcionar SCF" #~ msgid "Slater exchange" #~ msgstr "Troca de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Troca Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: correlação Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: correlação Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Troca Slater+ Correlação VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Troca BECKE + Correlação VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Troca BECKE + Correlação LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Troca Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Troca Perdew-Burke-Ernzerhof (PBE)" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Correlação Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Correlação OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Troca BECKE + Correlação OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Troca GILL + Correlação VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Troca GILL + Correlação LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Troca PBE + Correlação VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Troca PBE + Correlação LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Troca PBE + Correlação OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Troca HF e BECKE + Correlação LYP" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicado em Cada Nó" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuído por Todos os Nós" #~ msgid "words" #~ msgstr "palavras" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar Orbitais Localizados" #~ msgid "# of Core Electrons:" #~ msgstr "# de Núcleos de Elétrons:" #~ msgid "Transformation Method" #~ msgstr "Método de Transformação" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenação de duas fases" #~ msgid "Segmented Transformation" #~ msgstr "Transformação Segmentada" #~ msgid "Numeric" #~ msgstr "Numérica" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Inicial de Héssios" #~ msgid "Guess (+ define)" #~ msgstr "Hipótese (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Ler (de $HESS)" #~ msgid "Stationary Point" #~ msgstr "Ponto Estacionário" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximação Quadrática" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Z-matrix" #~ msgstr "Matriz-Z" #~ msgid "Gaussian Input" #~ msgstr "Entrada Gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Padrão" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "Quarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Fragment Shader:" #~ msgstr "Sombreador de fragmentos" #~ msgid "Display Type:" #~ msgstr "Modo de Exibição:" #~ msgid "Font:" #~ msgstr "Fonte:" #~ msgid "Change Font..." #~ msgstr "Mudar Fonte..." #~ msgid "New..." #~ msgstr "Novo..." #~ msgid "Rename..." #~ msgstr "Renomear..." #~ msgid "&Schemes:" #~ msgstr "E&squemas:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Largura:" #~ msgid "&Height" #~ msgstr "&Altura" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "pol" #~ msgid "&Save Image..." #~ msgstr "&Salvar Imagem..." #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Usar um valor otimizado para o tamanho da fonte em vez de valor " #~ "especificado (a conversão da tela para pontos de imagem não é boa!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Tamanho de Fonte Auto-ajustado" #~ msgid "&Y Axis Units:" #~ msgstr "Unidades do Eixo &Y:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibrações Moleculares" #~ msgid "Display force &vectors" #~ msgstr "Exibir &vetores de força" #~ msgid "Surface Type:" #~ msgstr "Tipo de Superfície:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baixa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Média" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Muito Alta" #~ msgid "Advanced..." #~ msgstr "Avançado..." #~ msgid "&Length:" #~ msgstr "&Duração:" #~ msgid "Display visual cues" #~ msgstr "Mostrar pistas visuais" #~ msgid "Python Settings" #~ msgstr "Configurações do Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de Matriz Z" OpenChemistry-avogadrolibs-ceb949f/i18n/ro.po000066400000000000000000012041041516317240700212330ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Irina Puscas , 2021. # Remus-Gabriel Chelu , 2023, 2024, 2025, 2026. # Weblate Translation Memory , 2024. # Eisuke Kawashima , 2025. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-23 20:09+0000\n" "Last-Translator: Remus-Gabriel Chelu \n" "Language-Team: Romanian \n" "Language: ro\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=n==1 ? 0 : (n==0 || (n%100 > 0 && n%100 < " "20)) ? 1 : 2;\n" "X-Generator: Weblate 5.17-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Lucrare pe lotul nr. %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nu s-a specificat niciun mesaj." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Ieșirea de script --print-options trebuie să fie un obiect JSON la nivel " "superior. Recepționat:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "A fost returnat un avertisment ce nu este un șir de caractere." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "Membrul „warnings” nu este o matrice." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Fișierul de referință „%1” nu există." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Eroare la popularea fișierului %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Fișierul „%1” nu este bine format. Lipsesc membrii șirului „contents” sau " "„filePath”." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Intrare de fișier formată greșit: numele fișierului/conținutul lipsește sau " "nu conține șiruri de caractere:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Intrare de fișier formată greșit la pozițial %1: Nu este un obiect." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "Membrul „files” nu este o matrice." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "Lipsește membrul „files”." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Membrul „mainFile” nu se referă la o intrare din „files”." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Membrul „mainFile” trebuie să fie un șir de caractere." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Răspunsul trebuie să fie un obiect JSON la nivel superior." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Ieșirea scriptului:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Eroare de analizare la poziția %L1: „%2”\n" "JSON brut:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Eroare la salvarea reprezentării moleculei în șir de caractere: Format de " "fișier nerecunoscut: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Eroare la salvarea reprezentării moleculei în șir de caractere: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Eroare la generarea obiectului cjson: Eroare de analizare la poziția %1: %2\n" "JSON brut:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Eroare a generatorului de obiecte cjson: JSON analizat nu este un obiect:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Generator de intrare (eroare)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "Generator de intrare %1" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Continuă" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Închide" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Necunoscut" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Următorul fișier a fost modificat:\n" "\n" "%1\n" "\n" "Doriți să suprascrieți modificările dvs. pentru a reflecta noua geometrie " "sau noile opțiuni de lucru?" msgstr[1] "" "Următoarele fișiere au fost modificate:\n" "\n" "%1\n" "\n" "Doriți să suprascrieți modificările dvs. pentru a reflecta noua geometrie " "sau noile opțiuni de lucru?" msgstr[2] "" "Următoarele fișiere au fost modificate:\n" "\n" "%1\n" "\n" "Doriți să suprascrieți modificările dvs. pentru a reflecta noua geometrie " "sau noile opțiuni de lucru?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Suprascrieți fișierele de intrare modificate?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Au apărut probleme în timpul generării datelor de intrare:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Nu există fișiere de intrare de salvat!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Nu se poate conecta la «MoleQueue»" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Nu vă puteți conecta la serverul MoleQueue. Vă rugăm să vă asigurați că " "acesta rulează și să încercați din nou." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Trimiteți calculul %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Lucrare eșuată" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Lucrarea nu a fost finalizată cu succes." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Scriptul returnează avertismente:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Ascunde a&vertismentele" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Afișează a&vertismentele" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "A apărut o eroare:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Selectați numele fișierului de ieșire" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Eroare internă: nu s-a putut găsi o aplicație de text cu numele de fișier " "„%1”" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Eroare de ieșire" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Nu s-a putut scrie fișierul „%1”." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Selectați directorul de ieșire" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directorul nu există!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directorul nu poate fi citit!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Fișierul va fi suprascris." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Fișierul nu este inscriptibil." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Fișierele de intrare nu pot fi scrise din cauza unei erori necunoscute." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Fișierele de intrare nu pot fi scrise:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Fișierele de intrare nu pot fi scrise:\n" "\n" "%1\n" "\n" "Avertismente:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Avertisment:\n" "\n" "%1\n" "\n" "Doriți să continuați?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Scrieți fișierele de intrare" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Configurați lucrarea" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Se trimite lucrarea la MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Timpul de trimitere a lucrării a fost depășit" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro a depășit timpul de așteptare a unui răspuns de la MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Se așteaptă ca lucrarea %1 „%2” să se termine…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Nu mai așteptați" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Se obțin informațiile despre lucrările finalizate…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Timpul de preluare a lucrării a fost depășit" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro a depășit timpul de așteptare a detaliilor privind lucrările " "finalizate de la MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Eroare la trimiterea lucrării" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Lucrarea a fost respinsă de MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Niciun program selectat." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Vă rugăm să selectați programul țintă din lista „Coada de așteptare și " "programul”." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Clientul nu a reușit să trimită lucrarea către MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Eroare internă." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Nu se poate rezolva selectarea programului. Aceasta este o eroare." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nicio moleculă definită în „BackgroundFileFormat”!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Niciun «Io::FileFormat» definit în „BackgroundFileFormat”!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Niciun nume de fișier definit în „BackgroundFileFormat”!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Despărțire pe orizontală" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Despărțire pe verticală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Heliu" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litiu" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beril" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxigen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodiu" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magneziu" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminiu" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Siliciu" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulf" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Clor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potasiu" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calciu" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandiu" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadiu" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Crom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Fier" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nichel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Cupru" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galiu" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germaniu" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Seleniu" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidiu" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stronțiu" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ytriu" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconiu" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobiu" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technețiu" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruteniu" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodiu" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladiu" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argint" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmiu" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indiu" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Staniu" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Stibiu" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesiu" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bariu" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Ceriu" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodim" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodim" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promețiu" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samariu" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europiu" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadoliniu" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbiu" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosiu" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmiu" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbiu" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tuliu" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Yterbiu" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutețiu" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafniu" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rheniu" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmiu" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridiu" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platină" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Aur" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercur" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Taliu" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plumb" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Poloniu" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Franciu" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radiu" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actiniu" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thoriu" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactiniu" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uraniu" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptuniu" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutoniu" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americiu" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curiu" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkeliu" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californiu" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteiniu" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermiu" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendeleviu" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobeliu" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrenciu" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordiu" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubniu" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgiu" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohriu" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassiu" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitneriu" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtiu" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgeniu" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Coperniciu" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihoniu" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleroviu" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moscoviu" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermoriu" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennessin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Răsfoire" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Selectați fișierul:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Selectați fișierul executabil:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Nu s-a putut găsi un cititor de fișiere adecvat pentru fișierul selectat." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Extensia fișierului lipsește, deci formatul nu poate fi determinat.Doriți să " "o adăugați?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Nu s-a putut găsi un scriitor de fișiere adecvat pentru formatul selectat." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "gestionari" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "gestiona" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "cititori" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "citi" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "scriitori" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "scrie" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Multipli %1 găsiți care pot %2 acest format. Care ar trebui să fie folosit?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Toate fișierele" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Toate formatele acceptate" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Eroare la citirea reprezentării moleculei: Format de fișier nerecunoscut: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "Mesaj %1" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "Avertisment %1" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "Eroare %1" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Eroare la scrierea reprezentării moleculei în șir de caractere: Format de " "fișier nerecunoscut: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Eroare la scrierea reprezentării moleculei în șir de caractere: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "„userOptions” lipsește." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Nu s-a putut găsi opțiunea „%1”." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "„type” nu este un șir pentru opțiunea „%1”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Titlu" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Nume de bază pentru fișier" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Nuclee procesor" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Memorie" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Tipul de calcul" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teorie" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Bază" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Încărcare" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Multiplicitate" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Solvent" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Model" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Numele utilizatorului" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Parola" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tip de opțiune nerecunoscut „%1” pentru opțiunea „%2”." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Eroare la stabilirea valorii implicite pentru opțiunea „%1”. Tip de " "aplicație greșit." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Eroare la stabilirea valorii implicite pentru opțiunea „%1”. Valoare " "implicită incorectă:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Eroare la stabilirea valorii implicite pentru opțiunea „%1”. Nu s-a putut " "găsi un index de intrare combinat valid pentru valoarea:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Aplicație negestionată în collectOptions pentru opțiunea „%1”." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[fără molecule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Stratul %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bilă și bastonaș" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Panglică de proteine" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Contacte apropiate" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Rețea cristalină" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Forța" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Etichete" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Bastonaș" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Suprafețe" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Necovalent" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elemente de simetrie" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (OA)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "Volume" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Cadru de sârmă" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Axe de referință" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Fără titlu" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Editează molecula" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Nu a fost salvat" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Creează o nouă vizualizare" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabelul periodic" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "Modul pachetului necesită pixi, dar acesta nu a fost găsit." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Eroare la rularea scriptului „%1 %2”: Timpul de așteptare pentru pornirea " "(%3) a expirat." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Eroare la rularea scriptului „%1 %2”: nu s-a reușit scrierea la intrarea " "standard (lung.=%3, s-au scris %4 octeți, eroare QProcess: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Eroare la rularea scriptului „%1 %2”: A expirat timpul de așteptare pentru " "finalizare (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Eroare în execuția scriptului „%1 %2”: Stare de ieșire anormală %3 (%4: %5)\n" "\n" "Ieșire:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Avertisment „%1”" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "Eroare la scrierea cererii brute în scriptul stdin (lung=%1, s-au scris %2 " "octeți, eroare QProcess: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Scriptul a eșuat la pornire." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Scriptul s-a blocat." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Scriptul a depășit timpul de așteptare." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Eroare la citire." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Eroare la scriere." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Eroare necunoscută." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificare straturi" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Eliminare strat" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Eliminare informații despre strat" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Adăugare strat" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Adăugare informații despre strat" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Schimbare strat" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Adăugare atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Eliminare atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Curățare atomi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Ajustează hidrogenii" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Schimbare elemente" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Schimbare element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Modificarea hibridizării atomului" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Modificarea sarcinii formale a atomului" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Schimbare culoare atom" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "Schimbare culoare reziduuri" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Modificarea stratului atomului" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Adăugare legătură" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Legătură eliminată" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Eliminare legături" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Stabilește ordinea legăturilor" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Schimbă ordinea legăturilor" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Actualizare legături" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Actualizare legătură" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Adaugă celulă unitate…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Elimină celula unitară" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Editează celula unitară" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Grupează atomii în celulă" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Scalați volumul celulei" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Construiți o super-celulă" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Reducere Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Rotiți la orientarea standard" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Reducere la celulă primitivă" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Convenționalizare celulă" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Simetrizare celulă" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Umple celula unitară" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "Completează copiile de translație" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce celula la unitatea asimetrică" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Schimbă poziția atomilor" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Schimbă poziția atomului" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Modifică eticheta atomului" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Modifică eticheta legăturii" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Modifică selecția" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifică molecula" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Configurări" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Se calculează…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "A rămas mai puțin de o secundă" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "o secundă rămasă" msgstr[1] "%n secunde rămase" msgstr[2] "%n de secunde rămase" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "un minut rămas" msgstr[1] "%n minute rămase" msgstr[2] "%n de minute rămase" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 oră și un minut rămase" msgstr[1] "1 oră și %n minute rămase" msgstr[2] "1 oră și %n de minute rămase" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "o oră rămasă" msgstr[1] "%n ore rămase" msgstr[2] "%n de ore rămase" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloc HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Fişier" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Exportare" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Schimbă elementele…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Construire" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchimie" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Schimbă elementele din atomi." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Aliniere" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Aliniere molecule\n" "\n" "Butonul stâng al mouse-ului:\tSelectează până la doi atomi.\n" "\tPrimul atom este centrat la origine.\n" "\tAl doilea atom este aliniat la axa selectată.\n" "Butonul drept al mouse-ului:\tRestabilește alinierea.\n" "Dublu clic:\tCentrează atomul la origine." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Aliniere la origine" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Aliniere la axă" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Centrați atomul la origine." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotește molecula pentru a alinia atomul la axa specificată." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Instrument de aliniere" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Aliniați moleculele pe o axă carteziană" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Rulați APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Deschide fișierul de ieșire…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Intrare" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Deschide fișierul de ieșire" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Fișier OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "Eroare de In/Ieș" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Eroare la citirea fișierului de structură (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Eroare în OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Eroare la citirea fișierului OpenDX: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Eroare la citirea fișierului OpenDX: Nu s-a găsit niciun cub" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interacționează cu utilitățile APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Deschide fișier PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Fișiere PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Deschide fișier PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Fișiere PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Eroare" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Eroare la rularea APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Vă rugăm să specificați fișierul PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Succes" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "S-a generat %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Eroare la rularea PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Salvează fișierul de intrare APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Intrare APBS (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Fișier de intrare scris la „%1”" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Nu se poate salva fișierul %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "După culoare personalizată…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "După indicele atomic…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "După distanță…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "După element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "După lanț" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "După sarcina parțială…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "După structura secundară" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "După aminoacid" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "După schema de culori" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Gri" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Aplicați scheme de culori pentru atomi și reziduuri." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vizualizare" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Atomi colorați" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Reziduuri colorate" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Selectați schema de culori" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Schema de culori:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "Aplică culorile indexului" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "Aplică culorile de încărcare" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "Aplică culorile de distanță" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "Restabilește culorile atomilor" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "Aplică culoarea personalizată" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "Aplică culoarea reziduurilor personalizată" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "Restabilește culorile reziduurilor" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "Aplică culorile structurii secundare" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "Aplică culorile aminoacizilor" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "Aplică culori modelatoare" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Aplicare culori" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Optimizare automată" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Instrument de optimizare automată\t(%1)\n" "\n" "Funcții de navigare la clic pe spațiul gol.\n" "Butonul stâng al mouse-ului:\t Rotește spațiul\n" "Butonul din mijloc al mouse-ului:\tMărește spațiul\n" "Butonul drept al mouse-ului:\t Mută spațiul\n" "Dublu clic:\t Reinițializează vizualizarea\n" "\n" "Când rulează:\n" "Butonul stâng al mouse-ului:\t Faceți clic și trageți atomii pentru a-i " "muta.\n" "Butonul drept al mouse-ului:\t Faceți clic și trageți pentru a roti " "atomii." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "Optimizare" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "Dinamică" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "Sarcina:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Interval de timp:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Start" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Optimizează geometria" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Dinamica moleculară" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Instrument de optimizare automată" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Optimizarea interactivă a geometriei moleculare" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Scara atomică" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Scara legăturilor" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opacitate" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Afișează legături multiple" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Afișează hidrogenii" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Reprezintă atomii ca sfere și legăturile ca cilindri." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulare centrată pe legături" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Instrument de manipulare centrat pe legături\t(%1)\n" "\n" "Butonul stâng al mouse-ului:\tApăsați-l și trageți pentru a roti " "vizualizarea.\n" "Butonul din mijloc al mouse-ului:\tApăsați-l și trageți pentru a mări sau " "micșora vizualizarea.\n" "Butonul drept al mouse-ului:\tApăsați-l clic și trageți pentru a muta " "vizualizarea.\n" "Dublu clic:\tReinițializează vizualizarea.\n" "\n" "Faceți clic cu butonul stâng și trageți pe o legătură pentru a defini planul " "de manipulare:\n" "Faceți clic cu butonul stâng și trageți unul dintre atomii din legătură " "pentru a modifica unghiul\n" "Faceți clic cu butonul din dreapta și trageți unul dintre atomii din " "legătură pentru a modifica lungimea" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Instrument de manipulare centrat pe legături." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Instrument utilizat pentru editarea geometriei moleculare prin modificarea " "lungimilor și unghiurilor legăturilor." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Legare atomi" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Percepe ordinea legăturilor" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Eliminare legături" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurare legături…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Legarea atomilor selectați" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Legătură" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Elimină legăturile de la toți atomii sau de la atomii selectați." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Creează legături între toți atomii sau între atomi selectați." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Percepe ordinea legăturilor." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Legarea" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Efectuează operațiile de legare." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Scheletul" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trasare" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tub" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Panglică" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Animație simplă" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Animație" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Coardă" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Afișează panglici/animații cu biomolecule." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Adaugă centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Adaugă centru de masă" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Adaugă perpendiculară" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Adaugă centroizi și centre de masă." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Distanța maximă:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Lățimea liniei:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Punte salină" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Repulsiv" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Reprezintă contactele strânse dintre atomi." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensii" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Scripturi" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Eroare la citirea fișierului de ieșire „%1”:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Se procesează %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Stabilește ruta către interpretul python:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selectați interpretul python ce trebuie utilizat pentru a rula scripturi " "externe.\n" "Avogadro trebuie repornit pentru ca orice modificare să aibă efect." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Scripturi de comenzi" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Rulează scripturi de comenzi externe" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Configurare Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Instalează Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python este utilizat pentru multe caracteristici Avogadro. Doriți să " "descărcați Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurare Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurează mediile Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Altul…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Constrângeri…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Calculează" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Constrângeri" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Definirea constrângerilor pentru optimizarea geometriei" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Distanța" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Unghi" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Unghiul de torsiune" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Înghețați atomul" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Înghețare axă X" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Înghețare axă Y" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Înghețare axă Z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tip" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Valoare" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordonate atomice…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordonate" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Editează textul coordonatelor atomice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Suprascrieți modificările?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Textul documentului a fost modificat. Doriți să renunțați la modificările " "dvs. și să reveniți la molecula curentă?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Prea puține intrări pe linie." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nume de element nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Numele elementului." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Simbol de element nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbolul elementului." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Etichetă atom nevalidă." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Index atomic nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indicele atomic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Număr atomic nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Numărul atomic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordonată nevalidă." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordonata X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordonata Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordonata Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Coordonata de rețea „a”." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Coordonata de rețea „b”." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Coordonata de rețea „c”." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Eroare la aplicarea geometriei" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Nu s-a putut analiza specificația geometriei. Corectați erorile evidențiate " "și încercați din nou.\n" "\n" "Indicație: Mențineți cursorul mouse-ului pe textul în roșu pentru o " "descriere a erorii." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editarea coordonatelor atomice" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Personalizat" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formatul XYZ (simboluri)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formatul XYZ (nume)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formatul XYZ (numere atomice)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordonate de rețea (simboluri)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordonate de rețea (nume)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordonate de rețea (numere atomice)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formatul GAMESS (simboluri)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formatul GAMESS (nume)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formatul Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Copiază" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Taie" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Șterge" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "Li&pește" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Editare" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Copiază ca" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Eroare la tăierea moleculei" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Eroare la generarea datelor din clipboard." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format de ieșire: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Eroare cititor:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Eroare la lipirea moleculei" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Nu se poate lipi molecula: Clipboard-ul este gol!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Eroare la citirea datelor din clipboard." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Format detectat: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiere și lipire" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interacționați cu clipboard-ul." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Intrare CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generează date de intrare pentru CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energie și forțe" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimizarea geometriei" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Metode de structură electronică (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Mecanica moleculară" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Clasic cuantic hibrid (Nu este încă acceptat)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NICIUNUL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "NUCLEU" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITĂȚI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "REINIȚIERE_ISTORIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ALEATORIU" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "REINIȚIERE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Gradienți conjugați" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Descinderea cea mai abruptă" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Fișierul de intrare a fost modificat. Doriți să suprascrieți modificările " "dvs. pentru a reflecta noua geometrie sau noile opțiuni de lucru?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Suprascrieți fișierul de intrare modificat?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Salvează fișierul de intrare CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Trimite calculul CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importă cristal din clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Treceți de la o celulă unitară la alta" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Editare celulă unitară…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "G&rupează atomii în celula unitară" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotire în orientarea standard" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scalează &volumul celulei…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construire &supercelulă…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce celula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Elimină celula &unitară" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Adaugă celulă &unitară" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Importă cristal din clipboard" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Grupează atomii în interiorul celulei unitare." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotește celula unitară la orientarea standard." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Reduce cristalul în baza algoritmului Niggli" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Celula unitară este deja redusă." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Instrumente specifice pentru editarea/analizarea cristalelor." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Culoare axe:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Culoare linie:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Redarea limitelor celulei unitare." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Nu se poate analiza textul" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Nu s-a reușit citirea datelor cu formatul furnizat." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Nu este prezentă nicio celulă unitară." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Editor de celulă unitară" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Se ignoră matricea de celule unitare" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Se ignoră matricea de celule fracționare unitare" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reasignarea elementelor &personalizate…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulează tipurile de elemente personalizate în molecula curentă." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elemente personalizate" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Redă momentul dipolar al moleculei." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Desenare" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Instrument de desen\t(%1)\n" "\n" "Butonul stâng al mouse-ului:\tApăsați-l și trageți pentru a crea atomi și " "legături\n" "Butonul drept al mouse-ului:\tȘterge atomul" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Desenează atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Schimbă tipul legăturii" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Elimină legătura" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distanța:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Instrument de editare" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automat" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Simplu" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dublu" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Triplu" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Obține PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Nu se poate citi molecula PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Codul PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Structura chimică de descărcat." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Cod PDB nevalid" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Codul PDB trebuie să aibă exact 4 caractere." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Primul caracter al codului PDB trebuie să fie 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Interogare pentru %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Descărcarea din rețea a eșuat" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" "Depășire a timpului de așteptare pentru conectarea la rețea sau altă eroare." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Molecula specificată nu poate fi găsită: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Preluare din PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" "Descarcă modele PDB din banca de date de proteine („Protein Data Bank”: PDB)" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Selectare focalizare" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Eliminare focalizare" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focalizare" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focalizează vizualizarea pe anumite caracteristici." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Realizează vizualizările câmpului de forțe pentru atomii moleculei." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Forțe" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configurează…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Îngheață atomii selectați" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Înghețare axe X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Înghețare axe Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Înghețare axe Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Dezgheață atomii selectați" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Fuzionează atomii selectați" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Separă atomii selectați" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Nu au fost furnizați atomi pentru optimizare" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energie: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energie = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Normă de forță = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Optimizarea câmpului de forță" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Minimizarea câmpului de forță, inclusiv scripturi" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "Opțiuni…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "Opțiuni de model nevalide" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "Nu s-au putut analiza opțiunile utilizatorului pentru modelul „%1”." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 Opțiuni" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectare (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Câmp de forță universal (UFF)" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Câmp de forță AMBER generalizat" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Câmpul de forță moleculară Merck 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Intrare GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generează intrarea pentru GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Punct unic" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometrie de echilibru" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Stare tranziție" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frecvențe" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Creează EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potențialul nucleului" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nimic" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Apă" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutru" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Salvează fișierul de intrare GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Trimite calculul GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustează hidrogenii" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Adaugă hidrogeni" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Elimină hidrogenii e&xtra" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "Elimină toți hid&rogenii" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Adaugă/elimină hidrogenii din molecula curentă." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrogeni" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogeni" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Căutare PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import din PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Descarcă o moleculă din PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Inserează" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Inserează DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timină" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Inserare moleculă…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Se generează molecula în 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Inserare ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Inserare fragmente ADN/ARN prin intermediul unei casete de dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Moleculă…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Eroare la citirea fișierului (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Importă cristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Inserare fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Inserare fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Inserează fragmente moleculare pentru a construi molecule mari." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Peptidă…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Inserare peptidă" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "InserarePeptidă" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Inserează secvențe oligopeptidice." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Culoare:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Distanța de la centru:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "Scala etichetei:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID unic" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Element și număr" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Element și ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Sarcină parțială" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Etichetă atom:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Lungime" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Etichetă legătură:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Nume" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Nume și ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Etichetă reziduu:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Afișează etichetele în stilul de bilă și bastonaș." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Editare etichete" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Instrument de etichetare a atomilor\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic pe atomi pentru a adăuga etichete " "personalizate" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Creează etichetă" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Instrument de editare etichete" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Intrare LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generează intrare pentru LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Doriți să actualizați textul de previzualizare, pierzând toate modificările " "efectuate în panoul de previzualizare a platformei de intrare Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Opacitate:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Reprezintă atomii sub formă de bastonașe." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Nu s-au găsit descriptori!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Nu s-au găsit cititori de format de linie!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Nu se poate încărca cititorul de format solicitat." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Nu s-au găsit coordonate!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Nu se pot genera coordonatele 3D." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Intrare de format de linie" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Încarcă descriptori moleculari pe o singură linie prin intermediul unei " "casete de dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulare" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Instrument de manipulare\t(%1)\n" "\n" "Butonul stâng al mouse-ului:\tApăsați-l și trageți pentru a muta atomii\n" "Butonul drept al mouse-ului:\tApăsați-l și trageți pentru a roti atomii." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Instrument de manipulare" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Măsurare" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Instrument de măsurare\t(%1)\n" "\n" "Butonul stâng al mouse-ului:\tSelectați până la patru atomi.\n" "\tDistanțele sunt măsurate între 1-2 și 2-3\n" "\tUnghiul este măsurat între 1-3 folosind 2 ca punct comun\n" "\tDiedrul este măsurat între 1-2-3-4\n" "Butonul drept al mouse-ului:\tReinițializează măsurătorile." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Diedru:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Unghi:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Instrument de măsurare" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(în așteptare)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Proprietate" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Numele moleculei" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Masa moleculară (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Masa izotopică (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Formula chimică" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Numărul de atomi" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Numărul de legături" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Seturi de coordonate" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Numărul de reziduuri" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Număr de lanțuri" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Sarcina netă" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Multiplicitatea spinului net" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Moment dipolar (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Energia HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Energia LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Energia SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Energia totală (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Energia punctului zero (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Entalpia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Entropia (kcal/mol-K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Energia liberă Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Grup de puncte" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Vizualizați proprietățile generale ale unei molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Analizează" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Proprietăți" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Proprietăți moleculă" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Proprietățile moleculei" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Export în format CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fișiere CSV (*.csv);;Toate fișierele (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Nu s-a putut deschide fișierul pentru scriere." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Eroare la scrierea în fișier." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Exportare…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigare" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Instrument de navigare\t(%1)\n" "\n" "Butonul stâng al mouse-ului:\tApăsați-l și trageți pentru a roti " "vizualizarea.\n" "Butonul din mijloc al mouse-ului:\tApăsați-l și trageți pentru a mări sau " "micșora imaginea.\n" "Butonul drept al mouse-ului:\tApăsați-l și trageți pentru a muta " "vizualizarea." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotește scena de-a lungul axelor x, y sau z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Mărește scena." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Convertește scena." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Inversează direcția de mărire/micșorare la derulare" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "Implicit:\tDerulați în jos pentru a micșora, derulați în sus pentru a mări\n" "Inversată:\tDerulați în sus pentru a micșora, derulați în jos pentru a mări" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Instrument de navigare" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Denumirea chimică" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Baze de date din rețea" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" "Interacționează cu baze de date din rețea, structuri de interogare etc." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Toleranța unghiului:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Calcogen" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Afișează câteva interacțiuni non-covalente." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Configurarea câmpului de forță…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Căutare conformer…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Percepe legăturile" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Adaugă hidrogeni pentru pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Elimină hidrogeni" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nu a fost găsit! Se dezactivează acțiunile modulului Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Formatele de fișiere Open Babel nu sunt gata pentru a fi adăugate." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Se încarcă molecula de la Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "A apărut o eroare internă: OpenBabel::readMolecule a fost apelată, dar nu " "este disponibilă nicio ieșire obabel pentru analizare!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "A apărut o eroare în timpul rulării Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Eroare la analizarea ieșirii openbabel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "A apărut o eroare în timpul recuperării listei câmpurilor de forță " "acceptate. (folosind „%1”)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Moleculă nevalidă. Nu se poate optimiza geometria." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Nu se poate optimiza geometria cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Se optimizează geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Se generează…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "A apărut o eroare internă în timpul generării unei reprezentări Open Babel a " "moleculei curente." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Se lansează %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Pasul %1 din %2\n" "Energia curentă: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Se actualizează molecula…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Eroare la interpretarea ieșirii Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Numărul de atomi din rezultatul obabel (%1) nu corespunde numărului de atomi " "din molecula originală (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Moleculă nevalidă. Nu se pot genera conformeri." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Nu se pot genera conformeri cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Se generează conformeri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Generează conformeri" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Nu se poate deschide fișierul cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Moleculă nevalidă: Nu se pot percepe legăturile." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceperea legăturilor (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Se generează reprezentarea XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Eroare la generarea șirului XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Se convertește XYZ la Open Babel cu %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Se actualizează molecula din Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Nu se pot adăuga hidrogeni cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Se adaugă hidrogeni (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Se generează intrarea Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Eroare la generarea intrării Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Se execută %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Adaugă hidrogeni pentru pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Se generează intrarea obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Nu se pot elimina hidrogeni cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Se elimină hidrogenii (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Eroare la generarea datelor Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Se citește ieșirea obabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel este deja în curs de execuție. Așteptați finalizarea celeilalte " "operații și încercați din nou." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interacționarea cu instrumentele OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "Scriptul &OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Intrare OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generează date de intrare pentru OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Doriți să actualizați textul de previzualizare, pierzând orice modificări " "făcute în panoul de previzualizare al platformei de intrare OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Adevărat" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Afișează axele de referință în colțul ecranului." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "Gestionare module…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "Program de instalare a pachetelor" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Instalează, actualizează și dezinstalează pachetele Avogadro." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "Eroare la descărcarea listei de module: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "Eroare: răspuns gol de la server." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "Eroare la preluarea fișierului README: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "Nu este selectat nimic" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "Bifați caseta de lângă un modul pentru a-l instala sau actualiza." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (necesită %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "Incompatibilitate între versiuni" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "Următoarele module necesită o versiune mai nouă a Avogadro:\n" "\n" "%1\n" "\n" "Instalați oricum?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "Nu este disponibilă nicio descărcare" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "Modulul/modulele selectate nu oferă o adresă URL sursă de unde pot fi " "descărcate:\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "Nu s-a reușit redirecționarea în timpul descărcării %1.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "Descărcarea de la %1 a eșuat: stare %2, %3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "Descărcarea de la %1 a eșuat: %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Se descarcă %1 în %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "Se extrage %1…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "Extragere finalizată (%1 fișiere)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "Eroare: nu s-a putut muta pachetul extras %1 în %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "Eroare de extragere: %1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "Extragerea nu a generat niciun fișier.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "Instalare finalizată.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "Nu este nimic de eliminat" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "Bifați caseta de lângă un modul instalat pentru a-l elimina." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "Elimină module" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "Eliminați %n modul selectat?" msgstr[1] "Eliminați %n module selectate?" msgstr[2] "Eliminați %n de module selectate?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "Păstrează fișierele" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "Șterge fișiere" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "Selectați directorul modulelor" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "Director nevalid" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "Directorul selectat nu conține un fișier pyproject.toml." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "Modulul este deja instalat ca legătură simbolică: %1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "S-a creat legătură simbolică: %1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "Crearea legăturii simbolice a eșuat; se copiază fișierele în schimb…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "Nu s-a reușit copierea pachetului în %1." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "Se instalează modulul din %1…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "Neinstalat" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "Instalat (actualizat)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "Actualizare disponibilă" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "Instalat local (nu în catalogul disponibil în Internet)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "Necesită Avogadro %1 sau o versiune ulterioară (rulează %2)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "Pictograme caracteristice:\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Stare" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Versiunea" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "Caracteristici" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Descriere" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "Electrostatică" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "Modele de energie" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "Formate de fișiere" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "Generatoare de date de intrare" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "Comenzi" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "EROARE: nu s-a putut deschide fișierul zip pentru a afișa conținutul.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "EROARE: nu s-a putut deschide fișierul zip pentru a extrage fișierele.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Avertisment: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Dispozitiv redare" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Instrument de animație\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Cadrul:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Începe:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Final:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Legături dinamice?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Frecvența cadrelor:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Redare" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Înregistrare…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Pauză" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Videoclip (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Exportă ca imagine bitmap" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Videoclip (*.mp4);;Videoclip (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Avertisment privind suportul pentru FPS GIF" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "Formatul de fișier GIF nu acceptă frecvențe ale cadrelor mai mari de 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Videoclip (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Eroare: nu se poate adăuga un cadru la video." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Instrument de redare" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Redare traiectorii" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Trasează datele conformerului…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Analizarea conformerului" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Tipul graficului:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Viteze" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Unități de energie:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "la" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Energie relativă (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Forțe (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Viteze (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "ConformerGrafic" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "Generează și trasează datele conformerului (RMSD sau energie)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Trasează funcția de distribuție a perechilor (PDF)…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Eșec la generarea modelului PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Mesaj de eroare: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "Trasează PDF" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generează și trasează o curbă a funcției de distribuție a perechilor." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Trasează modelul XRD teoretic…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Eșec la generarea modelului XRD" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Conversia moleculei în formatul CIF a eșuat." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Datele citite din genXrdPattern par a fi corupte!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Eroare: nu a putut fi găsit executabilul genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Eroare: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "TraseazăXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generează și trasează un model XRD teoretic utilizând ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Actualizare" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Eroare la descărcarea datelor modulului." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Eroare la analizarea datelor modulului." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Acest modul necesită instalarea anumitor pachete.\n" "Doriți să le instalați?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Întotdeauna" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Niciodată" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Descărcarea de la %1 a eșuat: cod de stare %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Se extrage %1 în %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "S-au finalizat %1 fișiere\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Extragere efectuată cu succes\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Eroare în timp ce se extrăgea: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Instalare anulată\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Descarcă module…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Descarcă module" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Descarcă module din depozitele aflate în GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Prelucrare PLY…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Salvează fișierul" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Fișier text (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Prelucrează scena folosind PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Prelucrare POV-Ray…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Fișier text (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Prelucrează scena folosind POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "Faceți clic pentru a schimba culoarea" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valență" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Sarcina formală" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Sarcina parțială %1" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Etichetă" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Izotop" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Culoare" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Atom inițial" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Atom final" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Ordinea legăturilor" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lungime (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Lanț" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Structura secundară" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Eterogen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Unghi (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Energie (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Ajustează fragmentul" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "Elice π" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Îndoire" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "Elice α" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "Foaie β" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Elice 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "Punte β" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Întoarcere" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Spirală" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Proprietățile atomului…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Proprietățile legăturii…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Proprietățile unghiului…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Proprietățile de torsiune…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Proprietățile reziduului…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Proprietăți conformer…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Tabele pentru afișarea și editarea proprietăților atomului, legăturii, " "unghiului și torsiunii." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tabele de proprietăți" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Proprietățile atomului" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Proprietățile legăturii" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Proprietățile unghiului" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Proprietățile de torsiune" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Proprietăți conformer" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Proprietățile reziduului" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "Tipul de sarcină parțială" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "Selectați tipul de sarcină parțială:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "Schimbarea tipului de sarcină…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Înghețați atomul" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Înghețare pe axa X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Înghețare pe axa Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Înghețare pe axa Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Dezgheață atomul" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Constrângere(limitare) legătură" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Constrângere(limitare) unghi" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Constrângere(limitare) torsiune" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Elimină constrângerea" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Nu se poate citi fișierul %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Nu s-a putut crea fișierul temporar." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Afișează primitivele folosind proprietățile QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Grafic molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Grafic molecular cu perechi solitare…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Sarcina atomică…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Deschide fișier WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fișiere WFN (*.wfn);;Toate fișierele (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensie QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Intrare cuantică" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generează date de intrare pentru codurile cuantice." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centrare" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Aliniază vizualizarea cu axele" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Aliniază vizualizarea cu axele." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reinițializează vizualizarea" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulează camera de vizualizare." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Script de încărcare a modelelor" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Încarcă modele electrostatice din scripturi externe." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Formate de fișiere script" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Încarcă cititori/scriitori de fișiere din scripturi externe." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selectează tot" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Nu selectează nimic" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inversează selecția" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Selectare după element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Selectare după indicele atomic…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Selectare după reziduu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Selectare atomi din scheletul de bază…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Selectare atomi din lanțul lateral…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Selectare apă" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Mărește selecția" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Micșorează selecția" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Creează un strat nou din selecție" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Modifică selecțiile" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selectați" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Selectare element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Selectare schelet" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Selectare lanț lateral" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Selectare atomi după indice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomi pentru selecție:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Selectare atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Selectare atomi după reziduu" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Reziduuri pentru selecție:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Selectare reziduu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Selectează" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecție" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Instrument de selecție\t(%1)\n" "\n" "Butonul stâng al mouse-ului:\tApăsați-l pentru a selecta atomi, reziduuri " "sau fragmente individuale\n" "\tTrageți pentru a selecta un interval de atomi\n" "Butonul drept al mouse-ului:\tApăsați-l în afara moleculei pentru a șterge " "selecția\n" "Utilizați Ctrl pentru a activa/dezactiva selecția și Shift pentru a adăuga " "la selecție.\n" "Dublu clic:\tSelectează un fragment întreg." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Colorează atomii" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Instrument de selecție" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Strat nou" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Detectează grupul spațial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetrizare" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Reducere la o unitate asimetrică" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Stabilește toleranța…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Umple celula unitară…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "Umple celula de translație…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Grupul spațial" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Completează atomii simetrici pe baza grupului spațial al cristalului." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "Completează toți atomii pe baza grupului spațial al cristalului." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Detectează grupul spațial" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Grupul spațial este deja configurat la: %1.\n" "Doriți să îl suprascrieți?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "Percepția grupului spațial a reușit:\n" "Toleranță: %1 Å\n" "Grup spațial: %2\n" "Simbol Hall: %3\n" "Simbol internațional: %4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Eșec" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Detectarea grupului spațial a eșuat.\n" "Doriți să încercați din nou cu o toleranță diferită?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Reducere primitivă" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Toleranța este stabilită în prezent la: %1.\n" "Continuați cu această toleranță?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Reducerea primitivei a eșuat.\n" "Vă rugăm să verificați cristalul și să încercați din nou cu o toleranță " "diferită." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Stabilirea unei celule convenționale a eșuat.\n" "Vă rugăm să verificați cristalul și să încercați din nou cu o toleranță " "diferită." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetrizarea a eșuat.\n" "Vă rugăm să verificați cristalul și să încercați din nou cu o toleranță " "diferită." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "Cu o toleranță de %1 Å, informațiile privind grupul spațial au fost " "percepute ca fiind următoarele:\n" "Număr internațional: %2\n" "Simbol Hall: %3\n" "Simbol internațional: %4\n" "\n" "Continuați cu acest grup spațial?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Selectați toleranța în Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "Triclinic" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "Monoclinic" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "Ortorombic" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "Tetragonal" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "Trigonal" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "Romboedric" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "Hexagonal" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "Cubic" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "Celulă primitivă detectată" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "Celula unitară actuală pare a fi o celulă primitivă (unghiuri diferite de " "90°), dar grupul spațial %1 se așteaptă la o celulă convențională centrată.\n" "\n" "Umplerea celulei unitare poate crea atomi duplicați neașteptați.\n" "\n" "Doriți să creați mai întâi o celulă convențională?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "Convenționalizarea celulei a eșuat." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Internațional" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "Sistem cristalin" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Selectează grupul spațial" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Grup spațial" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Caracteristici de grup spațial pentru cristale." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Trasează spectre…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Spectru" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Afișează diagramele spectrelor." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Infraroșu" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Dicroism circular vibrațional (VCD)" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Dicroism circular magnetic (MCD)" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Dicroism circular" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Densitatea stărilor" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Selectează culoarea de fundal" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Selectează culoarea de prim-plan" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Selectează culoarea spectrului calculat" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Selectează culoarea spectrului brut" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Selectează culoarea spectrului importat" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Lungimea de undă (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frecvența (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Spectre vibraționale" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Numere de undă (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Transmisie" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Spectre Raman" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Intensitate" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Dicroism circular vibrațional" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Dicroism circular magnetic" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "Spectre RMN" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Deplasare chimică (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Spectre electronice" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Spectre de dicroism circular" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Densitate" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Neted" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Brut" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Importate" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Importare date" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "Fișiere CSV (*.csv);;Fișiere TSV (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Suprafață" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Volum" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Stil:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Redă suprafețele moleculare." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Orbitale moleculare…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Fereastra orbitală" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Afișează listele orbitale." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetrie" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Ocupare" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Spin" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO (orbitalul molecular ocupat cu cea mai mare energie)" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO (orbitalul molecular neocupat cu cea mai mică energie)" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Orbitale moleculare" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Accesibilă solventului" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Exclusă solventului" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitatea electronică" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Densitatea de spin" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Din fișier" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " din %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Creează suprafețe…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Afișează suprafața van der Waals." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Afișează suprafața moleculară van der Waals." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Afișează suprafața moleculară accesibilă solventului." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Afișează suprafața moleculară exclusă solventului." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Afișează un orbital molecular." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Afișează densitatea electronică." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Afișează densitatea spinului." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Afișează un cub furnizat cu fișierul." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Cubul %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Se calculează densitatea electronică" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Se calculează densitatea de spin" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Se calculează orbitalul molecular %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Suprafață finisată" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Videoclip AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Exportare videoclip" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Videoclip MP4 (*.mp4);; Videoclip AVI (*.avi);; GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Nu s-a găsit elementul grafic de redare activ, eșec." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Citește și redă suprafețele." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Redă scena într-un fișier SVG." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Clasa" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Simetrie…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Oferă funcționalitatea de simetrie." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Redarea elementelor de simetrie." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Șablon" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Instrument de șablon\t(%1)\n" "\n" "Inserează fragmente, inclusiv centre metalice.\n" "Selectați un element și o geometrie de coordonare, apoi faceți clic pentru a " "insera un fragment.\n" "\n" "Selectați un ligand sau un grup funcțional și faceți clic pe un atom de " "hidrogen pentru a-l atașa." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Inserare șablon" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Inserare ligand" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Instrument de șablon" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Afișare simplă a sferelor VdW." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Pornire animație" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Oprire animație" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Moduri vibraționale…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Afișează dialogul «Moduri vibraționale»." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Stabilește modul vibrațional." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Stabilește amplitudinea vibrației." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Pornește animația vibrațională." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Oprește animația vibrațională." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrații" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Afișează modurile vibraționale." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Redare VRML…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Fișier text (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Redă scena cu VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Redă molecula ca o structură de sârmă." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculează structura benzii…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Nu se poate calcula structura benzii: nu există celula unitară!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Executarea Yaehmop a eșuat cu următoarea eroare:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Eșec la citirea structurii de bandă de la Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Un singur punct k special a fost găsit în ieșirea Yaehmop! Sunt necesare " "două sau mai multe!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-spațiu" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Banda %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Nivelul Fermi" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Nu se poate găsi Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Eroare: %1 a eșuat la pornire" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Intrare Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Efectuează calcule Hückel extinse cu yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formular" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configurări de calcul" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Text de substituție…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Restabilire" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Depanare script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Trimite calculul…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Salvează intrarea…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Coada de așteptare și programul:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Reîmprospătează" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Numărul de nuclee de procesor care urmează să fie " "rezervate pentru această sarcină.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Nuclee procesor:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Ștergeți fișierele de lucru de la distanță la " "finalizarea lucrării. Rezultatele vor fi în continuare copiate mai întâi în " "memoria cache locală MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Ștergeți fișierele de la distanță când ați terminat:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Bifați pentru a împiedica afișarea implicită a acestei " "sarcini în interfața cu utilizatorul a MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ascundeți lucrarea din MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Afișează o notificare de sistem atunci când se " "modifică starea lucrării.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Afișează notificări despre progres:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Deschide rezultatul de la ieșire când a terminat:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Redenumire elemente" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Inserare fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtru:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Tastați un nume sau o parte a unui nume pentru a afișa numai fișierele care " "corespund." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserare" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Fragment de cod HTML 3DMol" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiază în clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Fișier de intrare structură" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generează date de intrare din PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Fișier PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Câmp de forță:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Rulează PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Încarcă fișierul PQR existent" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Fișier PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Fișier de intrare APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Salvează fișierul de intrare" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Rulați APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succes!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Încarcă fișierul de structură" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Încarcă fișierul de cub" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Sarcini parțiale" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Model sarcină:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Toleranța distanței:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distanța minimă:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Există doar mediul conda „de bază”.\n" "Doriți să creați un mediu nou pentru Avogadro?\n" "Aceasta va face o copie a mediului dvs. de bază.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nume mediu:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selectați versiunea Python utilizată pentru rularea scripturilor.\n" "Avogadro trebuie repornit pentru ca orice modificare să aibă efect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Mediu:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Adaugă constrângeri" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Tip:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Indicii atomici:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Valoare:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Adaugă" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Opțiuni" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Obține constrângerile" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Șterge selectat" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Șterge tot" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Ok" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de coordonate" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Predefinit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unitatea de distanță:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specificarea formatului. Fiecare caracter indică o " "valoare de scris pentru fiecare atom:

# - Indicele atomic (1, 2, ..., numAtomi)
Z - Numărul atomic (de exemplu. „6” " "pentru carbon)
G - Numărul " "atomic în stilul GAMESS (de exemplu, „6.0” pentru carbon)
N - Numele elementului (de exemplu, „Carbon”)
S - Simbolul elementului (de " "exemplu, „C” pentru carbon)
L - " "Eticheta atomului (de exemplu, „C2” pentru al doilea atom de carbon, „H1” " "pentru primul de hidrogen)
x - " "Coordonata poziției X
y - " "Coordonata poziției Y
z - " "Coordonata poziției Z
a - " "Coordonata rețelei „a” (numai pentru cristale)
b - Coordonata rețelei „b” (numai pentru cristale)
c - Coordonata rețelei „c” (numai " "pentru cristale)
_ - Un spațiu " "literal („ ”), util pentru aliniere
0 - Un 0 literal („0”), util pentru fanioanele de optimizare
1 - Un 1 literal („1”), util pentru " "fanioanele de optimizare

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Ajutor…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Lipește" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revenire (la valorile dinainte)" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Șterge" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplică" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Intrare CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reinițializați tot" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Valorile implicite" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Salvează fișierul…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configurare &bazică" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titlu:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Nume de bază pentru fișier:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "lucrare" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculează:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Setul de bază:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcțional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipul de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensia fișierului pentru conversia Open Babel (implicit - " "Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametrii supercelulei" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opțiuni pentru super celulă" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetare A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetare B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetare C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matricea celulară:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matrice fracțională:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformă atomii" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplică" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revenire|Anulare" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ascunde" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scalarea volumului celulei unitare" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "&Volum nou:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "Factor de &scalare:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volumul curent:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Text etichetă" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordinea legăturilor:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametri de optimizare a geometriei" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Criterii de convergență" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Convergența energiei:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limita de pași:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unități" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " pași" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Convergența gradientului:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metoda de optimizare" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Câmp de forță:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetectare" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Intrare GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "În:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "PRAG CONVERG" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitate:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Cu:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Sarcina:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import din PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Caută" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nume" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etichetă" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inci" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Căutare după: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Descarcă" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nume:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Inserează acizi nucleici" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Constructor ADN/ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Acizi nucleici:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenină" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozină" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanină" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Secvență:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "numărul de perechi de baze pe tur de elice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Alta" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Baze pe tură:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Șuvițe:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Unică" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Dublă" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Constructor de peptide" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Acid aspartic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cisteină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Acid glutamic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirozină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lizină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucină" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Aminoacizi:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Secvență (de la N la C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereochimie:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N-terminal:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C-terminal:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Structură:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Lanț drept" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "Elice α" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "Foaie β" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "Elice 3-10" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "Elice π" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Număr lanț:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Numărul lanțului pentru noua peptidă" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Intrare LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentarii privind fișierul de intrare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Selectează stilul de unitate care urmează să fie utilizat în timpul " "simulării." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unități" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potențialul apei" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Selectează stilul de atom „atom_style” utilizat în fișierul de date." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Stilul atomului" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "unghi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "legătură" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "sarcină" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "complet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "mezo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sferă" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "pachet de unde" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" "Specifică numele care urmează să fie utilizat pentru fișierul de coordonate." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fișier de date de coordonate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ansamblu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Selectează numărul de lanțuri Nosé-Hoover din ansamblul NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Lanțuri NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalul de timp pentru simulare în unități, în conformitate cu " "specificația „Unități”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Intervalul de timp" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Numele fișierului XYZ care urmează să fie scris în timpul simulării." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Extrage XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Numărul de dimensiuni din sistem." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensiuni" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Modifică stilul de delimitare Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Modifică stilul de delimitare Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Modifică stilul de delimitare X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selectează stilurile de delimitare în direcțiile X, Y și Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Delimitare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Numărul de replicanți în direcțiile X, Y și Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicare în direcția X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicare în direcția Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicare în direcția Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Numărul total de intervale de timp pentru a rula simularea." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Numărul total de intervale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Extrage interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Stabilește vitezele inițiale ale atomilor pentru simulare." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Vitezele inițiale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Selectează distribuția vitezelor inițiale ale atomilor." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Stabilește vitezele inițiale ale atomilor pentru a corespunde acestei " "temperaturi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Elimină momentul liniar al sistemului din vitezele inițiale." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Moment liniar zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Elimină momentul unghiular al sistemului din vitezele inițiale." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Moment unghiular zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlează ieșirea termodinamică în timpul simulării." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Ieșire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval ieșire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Stilul de ieșire termodinamică." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "O singură linie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multiple linii" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilizează formularul" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generează…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Transferă după:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotire în jurul:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Originii" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centrul moleculei" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centrul selecției" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Axa X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Axa Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Axa Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Mută:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Atomi selectați" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Orice altceva" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Căutare conformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metodă" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Numărul de conformeri:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Căutare sistematică a rotoarelor" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Căutare aleatorie a rotoarelor" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Căutare ponderată a rotoarelor" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Căutare prin algoritm genetic" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimizare pentru fiecare conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opțiuni ale algoritmului genetic" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "numărul de copii pentru fiecare geometrie părinte" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Copil:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frecvența mutațiilor (mai mică = mutații mai frecvente)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutabilitate:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "numărul de generații identice înainte de atingerea convergenței" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergența:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Metoda de evaluare:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "metoda de evaluare pentru algoritmul genetic (RMSD = distanța geometrică, " "energie = cele mai mici energii)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmul de optimizare:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tehnica de căutare a liniilor:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Descinderea cea mai abruptă" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradient conjugat" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simplă" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Metoda lui Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limitarea interacțiunilor nelegate" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Distanța de separare Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frecvența de actualizare a perechilor:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distanța de separare electrostatică:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Convergența „energiei”:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Constructor de scripturi OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Scriptul lucrării:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordonate de intrare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologia de intrare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Câmpul de forță:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Modelul de apă:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvent implicit (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platformă:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referință" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precizie:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "simplă" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixtă" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dublă" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indexul dispozitivului:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indexul platformei OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Metoda fără legare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Toleranța Ewald:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constrângeri:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Legături hidrogen" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Toate legăturile" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Unghiuri hidrogen" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Toleranța la constrângeri:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Apă rigidă?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Fals" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Separare fără legături:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Viteza inițială aleatorie:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temp. de generare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Langevin variabil" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Verlet variabil" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Toleranța la erori:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Rata de coliziune:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Presiune:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Interval barostat" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Raportori:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Date de stare" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval de raportare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Etape de echilibrare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Etape de producție:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizare?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Nr. maxim de intervale de minimizare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opțiuni de date de stare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Index de etape/intervale" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Timp" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Viteză" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energia potențială" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energia cinetică" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia totală" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "Căutare module…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "Instalare din director…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "Elimină elementele selectate" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "Instalare / Actualizare elemente selectate" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opțiuni de trasare PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Raza maximă:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Etapa (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opțiuni de model XRD teoretic" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

Lărgirea vârfului la bază (în grade).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

Valoarea maximă 2theta în grade.

Implicit: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

Lărgirea vârfurilor la bază în grade.

Implicit: " "0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Numărul de puncte:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Lățimea vârfului:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Lungimea de undă:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Lungimea de undă a razelor X în angstromi.

Implicit: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Numărul de puncte 2theta de generat.

Implicit: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Max 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Descărcare selecție" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raza punctului critic:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raza traseului de legătură:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Dimensiune constantă" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplică culoarea" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Vizualizare spectre" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Factor de scalare:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Axa X minimă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Axa X maximă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Decalaj:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Axa Y maximă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Axa Y minimă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Lățimea vârfului:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Pragul maxim:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Unități:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aspect" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Stabilire culoare…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spectrul importat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Dimensiune font:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Lățimea liniei:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Afișează" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importă un tsv de spectre experimentale pentru a le suprapune pe diagramă." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Importă…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fundal:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Spectre calculate:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Spectru brut:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Exportă…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportare date" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "În&chide" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opțiuni…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Comenzi cu butoanele mouse-uluii:\n" "Dublu clic stânga: Restaurează limitele implicite ale axelor\n" "Clic dreapta + tragere: Mută traseul\n" "Clic pe cel din mijloc + tragere: Zoom la regiune\n" "Rotița de derulare: Zoom la cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "Î&ncărcare date…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Calitate: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Foarte joasă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Joasă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medie" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Înaltă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Foarte înaltă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Redare" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configurează" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Creează suprafețe" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Suprafață:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Culoare de:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potențial electrostatic" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rezoluție:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Valoarea isosuprafeței:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Netezire:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Ușoară" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Ridicată" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculează" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Înregistrare videoclip…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Moleculă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Atomi echivalenți simetric:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Blochează simetria" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operații" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elemente de simetrie:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupuri" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupuri:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Toleranța:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Strânsă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normală" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Slabă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Foarte slabă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detectează simetria" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centrează" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Sarcina formală:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordonare:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octaedrică" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Liniară" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Liniară" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Plană-trigonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraedrică" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Plană-pătrată" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Bipiramidală trigonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Piramidală cu bază pătrată" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Prismă trigonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Bipiramidală pentagonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Antiprismă pătrată" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Liganzi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Din clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupuri" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxilat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "acetilenă" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonat" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Moduri vibraționale" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitudine:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Banda Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Y min: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Nivelul Fermi trebuie să fie cunoscut înainte de a " "bifa această căsuță. Puteți descoperi nivelul Fermi efectuând un calcul al " "densității de stări și afișând datele (acesta va fi în partea de sus a " "datelor). În plus, dacă se efectuează un calcul al densității de stări, " "nivelul Fermi de aici va fi stabilit automat la cel detectat în timpul " "calculului densității de stări.

Dacă această căsuță este bifată, " "asigurați-vă că nivelul Fermi corect este stabilit în căsuța cu valori din " "dreapta.

Implicit: dezactivat

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Trasare nivel Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Ajustați energiile astfel încât nivelul zero să fie " "nivelul Fermi? Disponibil numai dacă se trasează nivelul Fermi.


Implicit: dezactivat

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nivelul Fermi zero?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "Numărul de puncte k care conectează punctele k speciale:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Puncte k speciale" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Y max: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Nivelul Fermi

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Introduceți punctele k speciale astfel

L 0.5 0.5 " "0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

Adică, <simbolul> " "<x> <y> <z> unde x, y și z sunt coordonate spațiale " "reciproce fracționare. Se vor trasa linii care conectează aceste k-puncte pe " "grafic în ordinea în care le-ați pus. Vă rugăm să rețineți că orientarea " "celulei dvs. poate avea un efect asupra locațiilor acestor puncte spațiale " "reciproce.

Dacă grupul spațial al cristalului a fost perceput sau " "stabilit, punctele k speciale vor fi completate automat cu punctele " "primitive de simetrie înaltă ale celulei pentru acel grup spațial. Există " "câteva grupuri spațiale care vor avea puncte de înaltă simetrie diferite în " "funcție de rețea (cum ar fi dacă a > b sau a < b) - acest lucru este " "luat în considerare automat.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Introduceți numărul de puncte k care vor conecta " "punctele k speciale. Un număr mai mare de astfel de puncte k va netezi " "graficul, dar calculul poate dura mai mult.

Implicit: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Limitați intervalul y în grafic?

Implicit: " "dezctivat

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limita intervalului y?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Numărul de dimensiuni periodice.


Dacă este stabilit la 1, materialul va fi periodic numai de-a lungul " "vectorului A al cristalului.


Dacă este stabilit la 2, " "materialul va fi periodic de-a lungul ambilor vectori A și B ai cristalului." "


Dacă acesta este stabilit la 3, materialul va fi periodic " "de-a lungul vectorilor A, B și C ai cristalului.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Numărul de dimensiuni:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Se afișează intrarea Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Remus-Gabriel Chelu" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "remusgabriel.chelu@disroot.org, 2023, 2024, 2025, 2026" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Opțiunea „%1” nu se referă la un obiect." #, qt-format #~ msgid "Tab %1" #~ msgstr "Fila %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Eroare: valoarea trebuie să fie obiect pentru cheia „%1”." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Editează paleta de opacitate a culorilor…" #~ msgid "ColorOpacityMap" #~ msgstr "Paleta de opacitate a culorilor" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Editează paletele de opacitate a culorilor, în principal pentru " #~ "reprezentarea volumelor." #~ msgid "Volume Rendering" #~ msgstr "Redarea volumului" #~ msgid "Cube" #~ msgstr "Cub" #~ msgid "Enable volume rendering" #~ msgstr "Activează redarea volumului" #~ msgid "Enable surface rendering" #~ msgstr "Activează redarea suprafeței" #~ msgid "Isovalue" #~ msgstr "Izovaloare" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Eroare la preluarea metadatelor pentru scriptul de energie: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Eroare la analizarea metadatelor pentru scriptul de energie: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Eroare la analizarea metadatelor pentru scriptul de energie: %1\n" #~ "Rezultatul nu este un obiect JSON.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Nu se poate încărca scriptul %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Se verifică dacă există scripturi %1 în ruta %2" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 kJ/mol" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Unghiuri:" #~ msgid " °" #~ msgstr " °" #~ msgid "Hartree" #~ msgstr "Hartree" #~ msgid "eV" #~ msgstr "eV" #~ msgid "kcal/mol" #~ msgstr "kcal/mol" #~ msgid "kJ/mol" #~ msgstr "kJ/mol" #, qt-format #~ msgctxt "argument is program name" #~ msgid "Installing dependencies with %1…" #~ msgstr "Se instalează dependențele pentru %1…" #~ msgid "Cancel" #~ msgstr "Anulează" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(în așteptare)" #~ msgid "unknown molecule" #~ msgstr "moleculă necunoscută" #~ msgid " & " #~ msgstr " și " #~ msgid "Reference Axes Overlay" #~ msgstr "Suprapunerea axelor de referință" #~ msgid "Meshes" #~ msgstr "Ochiuri de rețea" #~ msgid "Plot RMSD curve…" #~ msgstr "Trasează curba RMSD…" #~ msgid "PlotRmsd" #~ msgstr "TraseazăRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generează și trasează o curbă RMSD." #, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Instrument de etichetare a atomilor\t(%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului:\tApăsați-l pe atomi pentru a adăuga etichete " #~ "personalizate" #~ msgid "Max 2*theta:" #~ msgstr "Max 2*theta:" #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick and drag to rotate the view.\n" #~ "Middle Mouse:\tClick and drag to zoom in or out.\n" #~ "Right Mouse:\tClick and drag to move the view.\n" #~ "Double-Click:\tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Instrument de manipulare centrat pe legături\t(%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului:\tApăsați-l și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului:\tApăsați-l și trageți pentru a mări sau " #~ "micșora vizualizarea.\n" #~ "Butonul drept al mouse-ului:\tApăsați-l clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ "Dublu clic:\tReinițializează vizualizarea.\n" #~ "\n" #~ "Faceți clic cu butonul stâng și trageți pe o legătură pentru a defini " #~ "planul de manipulare:\n" #~ "Faceți clic cu butonul stâng și trageți unul dintre atomii din legătură " #~ "pentru a modifica unghiul\n" #~ "Faceți clic cu butonul din dreapta și trageți unul dintre atomii din " #~ "legătură pentru a modifica lungimea" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Tabele pentru afișarea și editarea proprietăților atomului, legăturii, " #~ "unghiului și torsiunii." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Aliniere molecule\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tSelectează până la doi atomi.\n" #~ "\tPrimul atom este centrat la origine.\n" #~ "\tAl doilea atom este aliniat la axa selectată.\n" #~ "Butonul drept al mouse-ului: \tRestabilește alinierea.\n" #~ "Dublu clic: \tCentrează atomul la origine." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Instrument de manipulare centrat pe legături (%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări " #~ "sau micșora vizualizarea.\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ "Faceți dublu clic: \tReinițializează vizualizarea.\n" #~ "\n" #~ "Faceți clic cu butonul stâng și trageți pe o legătură pentru a seta " #~ "planul de manipulare:\n" #~ "Faceți clic cu butonul stâng și trageți unul dintre atomii din legătură " #~ "pentru a modifica unghiul\n" #~ "Faceți clic cu butonul din dreapta și trageți unul dintre atomii din " #~ "legătură pentru a modifica lungimea" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Instrument de desen (%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a crea atomi " #~ "și legături\n" #~ "Butonul drept al mouse-ului: \tȘterge atomul" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Instrument de etichetare a atomilor \t(%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic pe atomi pentru a adăuga " #~ "etichete personalizate" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Instrument de manipulare (%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "atomii\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "atomii.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Instrument de măsurare \t(%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tSelectați până la patru atomi.\n" #~ "\tDistanțele sunt măsurate între 1-2 și 2-3\n" #~ "\tUnghiul este măsurat între 1-3 folosind 2 ca punct comun\n" #~ "\tDiedrul este măsurat între 1-2-3-4\n" #~ "Butonul drept al mouse-ului: \tReinițializează măsurătorile." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Instrument de navigare (%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări " #~ "sau micșora imaginea.\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "Implicit:\t Derulați în jos pentru a micșora, derulați în sus pentru a " #~ "mări\n" #~ "Inversată:\t Derulați în sus pentru a micșora, derulați în jos pentru a " #~ "mări" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Instrument de animație \t(%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Instrument de selecție \t(%1)\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic pentru a selecta atomi, " #~ "reziduuri sau fragmente individuale\n" #~ "\tTrageți pentru a selecta un interval de atomi\n" #~ "Butonul drept al mouse-ului: \tFaceți clic în afara moleculei pentru a " #~ "șterge selecția\n" #~ "Utilizați Ctrl pentru a activa/dezactiva selecția și Shift pentru a " #~ "adăuga la selecție.\n" #~ "Dublu clic: \tSelectează un fragment întreg." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Instrument de șablon (%1)\n" #~ "\n" #~ "Introduceți fragmente, inclusiv centre metalice.\n" #~ "Selectați un element și o geometrie de coordonare, apoi faceți clic " #~ "pentru a introduce un fragment.\n" #~ "\n" #~ "Selectați un ligand sau un grup funcțional și faceți clic pe un atom de " #~ "hidrogen pentru a-l atașa." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Reprezentarea ochiurilor de rețea poligonale." #~ msgid "&Analysis" #~ msgstr "&Analizare" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Import…" #~ msgid "Set Color..." #~ msgstr "Stabilire culoare..." #~ msgid "&Export..." #~ msgstr "&Export..." #~ msgid "&Load data..." #~ msgstr "Î&ncărcare date..." #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Sarcina parțială" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Instrument de manipulare centrat pe legături\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări " #~ "sau micșora imaginea.\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ "Faceți dublu clic: \tRestabiliți vizualizarea.\n" #~ "\n" #~ "Faceți clic cu butonul stâng și trageți pe o legătură pentru a stabili " #~ "planul de manipulare:\n" #~ "Faceți clic cu butonul stâng și trageți unul dintre atomii din legătură " #~ "pentru a modifica unghiul\n" #~ "Faceți clic cu butonul din dreapta și trageți unul dintre atomii din " #~ "legătură pentru a modifica lungimea" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Instrument de desenare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a crea atomi " #~ "și legături\n" #~ "Butonul drept al mouse-ului: \tȘterge atomul" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Instrument de etichetare a atomilor\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic pe atomi pentru a adăuga " #~ "etichete personalizate" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Instrument de manipulare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "atomii\n" #~ "Butonul drept al mouse-ului: \t Faceți clic și trageți pentru a roti " #~ "atomii.\n" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Instrument de măsurare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tSelectează până la patru atomi.\n" #~ "\tDistanțele sunt măsurate între 1-2 și 2-3\n" #~ "\tUnghiul este măsurat între 1-3 folosind 2 ca punct comun\n" #~ "\tDiedrul este măsurat între 1-2-3-4\n" #~ "Butonul drept al mouse-ului: \tReinițializează măsurătorile." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Instrument de navigare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări " #~ "sau micșora imaginea.\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ msgid "Animation Tool" #~ msgstr "Instrument de animație" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Instrument de selecție\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic pentru a selecta atomi, " #~ "reziduuri sau fragmente individuale\n" #~ "\tTrageți pentru a selecta un interval de atomi\n" #~ "Butonul drept al mouse-ului: \tFaceți clic în afara moleculei pentru a " #~ "șterge selecția\n" #~ "Utilizați Ctrl pentru a comuta selecția și Shift pentru a adăuga la " #~ "selecție.\n" #~ "Dublu clic cu butonul stâng: \tSelectează un fragment întreg." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Instrument de șablon\n" #~ "\n" #~ "Introduceți fragmente, inclusiv centre metalice.\n" #~ "Selectați un element și o geometrie de coordonare, apoi faceți clic " #~ "pentru a introduce un fragment.\n" #~ "\n" #~ "Selectați un ligand sau un grup funcțional și faceți clic pe un atom de " #~ "hidrogen pentru a-l atașa." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Instrument de manipulare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "atomii\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "atomii selectați.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Afișare simplă a sferelor VdW cu ocluzie ambientală." #~ msgid "Geometry" #~ msgstr "Geometriei" #~ msgid "Add Unit Cell" #~ msgstr "Adaugă celulă unitară" #~ msgid "By Atomic Index" #~ msgstr "După indicele atomic" #~ msgid "By Distance" #~ msgstr "După distanță" #~ msgid "Select Water…" #~ msgstr "Selectare apă…" #~ msgid "&Copy" #~ msgstr "&Copiază" #~ msgid "Molecule Name:" #~ msgstr "Nume moleculă:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Masa moleculară (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Formula chimică:" #~ msgid "Number of Atoms:" #~ msgstr "Numărul de atomi:" #~ msgid "Number of Bonds:" #~ msgstr "Numărul de legături:" #~ msgid "TODO" #~ msgstr "DE FĂCUT" OpenChemistry-avogadrolibs-ceb949f/i18n/ru.po000066400000000000000000013400571516317240700212510ustar00rootroot00000000000000# Russian translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # FIRST AUTHOR , 2008. # Yuri Kozlov , 2011. # Artem , 2020. # koffevar , 2020. # Anna Malinovskaia , 2021, 2022, 2023, 2024, 2025. # Alex Brohovsky , 2021. # МАН69К , 2022. # Kateryna Golovanvoa , 2022. # Oleg Shparber , 2023. # Ivanushka , 2023. # Eisuke Kawashima , 2024, 2025, 2026. # Sergey Ponomarev , 2025. # Илья Рябов , 2025. # LibreTranslate , 2025. # Otto Myers , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Russian \n" "Language: ru\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Фоновое задание #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Сообщение не указано." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --вывод параметров печати должен быть объектом JSON на верхнем " "уровне. Получено:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Возвращено нестроковое предупреждение." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "элемент 'предупрежден' не является массивом." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Ссылочный файл '%1' не существует." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Ошибка заполнения файла %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Файл '%1' имеет неверное содержание. Отсутствует элементы строки 'contents' " "или 'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Неверная запись в файле: имя файла/содержимое отсутствует или нет строк:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" "Неправильно сформированная запись в файле с индексом %1: Не является " "объектом." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "элемент 'файлы' не является массивом." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "отсутствует элемент \"файлы\"." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Элемент 'mainFile' не ссылается на запись в разделе 'файлы'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Элемент 'mainFile' должен быть строкой." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Ответ должен быть объектом JSON наивысшего уровня." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Вывод сценария:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Ошибка синтаксического анализа при смещении %L1: \"%2\"\n" "Необработанный JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Ошибка сохранения представления молекулы в строку: Неопознанный формат файла:" "%1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Ошибка сохранения представления молекулы в строку: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Ошибка создания объекта cjson: Ошибка синтаксического анализа при смещении " "%1: %2\n" "Необработанный JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Генератор ошибок Объект cjson: Проанализированный JSON не является " "объектом:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Генератор ввода (ошибка)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Генератор ввода" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Продолжить" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Закрыть" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Неизвестный" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[1] "" "Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[2] "" "Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Перезаписать измененные входные файлы?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Проблемы, возникшие во время генерации входных данных:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Нет входных файлов для сохранения!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Не удается подключиться к MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Не удается подключиться к серверу MoleQueue. Пожалуйста, убедитесь, что он " "работает, и повторите попытку." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Отправить Расчет %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Задание не выполнено" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Работа не была завершена успешно." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Скрипт возвращает предупреждения:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Показывать &предупреждения" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Произошла ошибка:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Выберите выходное имя файла" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Внутренняя ошибка: не удалось найти текстовый виджет для имени файла '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Ошибка Вывода" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Не удалось выполнить запись в файл %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Выберите директорию вывода" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Каталог не существует!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Каталог не может быть прочитан!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Файл будет перезаписан." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Файл недоступен для записи." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Входные файлы не могут быть записаны из-за неизвестной ошибки." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Входные файлы не могут быть записаны:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Входные файлы не могут быть записаны:\n" "\n" "%1\n" "\n" "Предупреждения:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Предупреждение:\n" "\n" "%1\n" "\n" "Вы хотели бы продолжить?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Запись входных файлов" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Настройка Задания" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Отправка задания в MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Время Ожидания Отправки Задания" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Время ожидания Avogadro истекло, ожидая ответа от MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Ожидание работы %1 \"%2\" для завершения" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Остановить ожидание" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Время ожидания поиска работы" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Время ожидания Avogadro истекло в ожидании сведений о готовой работе от " "MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Работа была отклонена MoleQueueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Программа не выбрана." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Пожалуйста, выберите целевую программу из списка \"Очередь и программа\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Клиенту не удалось отправить задание в MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Внутренняя ошибка." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Нет молекулы, установленной в BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Нет Io::FileFormat установленного в BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Имя файла не задано в BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Разделение По Горизонтали" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Разделение По Вертикали" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Водород" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Гелий" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Литий" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Бериллий" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Бор" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Углерод" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Азот" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Кислород" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Фтор" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Неон" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Натрий" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Магний" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Алюминий" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Кремний" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Фосфор" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Сера" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Хлор" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Аргон" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Калий" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Кальций" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Скандий" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Титан" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Ванадий" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Хром" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Марганец" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Железо" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Кобальт" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Никель" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Медь" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Цинк" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Галлий" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Германий" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Мышьяк" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Селен" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Бром" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Криптон" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Рубидий" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Стронций" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Иттрий" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Цирконий" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Ниобий" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Молибден" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Технеций" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Рутений" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Родий" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Палладий" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Серебро" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Кадмий" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Индий" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Олово" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Сурьма" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Теллур" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Иод" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ксенон" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Цезий" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Барий" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Лантан" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Церий" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Празеодим" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Неодим" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Прометий" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Самарий" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Европий" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Гадолиний" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Тербий" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Диспрозий" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Гольмий" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Эрбий" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Тулий" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Иттербий" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Лютеций" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Гафний" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Тантал" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Вольфрам" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Рений" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Осмий" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Иридий" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Платина" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Золото" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Ртуть" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Таллий" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Свинец" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Висмут" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Полоний" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Астат" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Радон" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Франций" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Радий" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Актиний" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Торий" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Протактиний" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Уран" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Нептуний" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Плутоний" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Америций" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Кюрий" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Берклий" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Калифорний" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Эйнштейний" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Фермий" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Менделевий" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Нобелий" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Лоуренсий" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Резерфордий" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Дубний" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Сиборгий" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Борий" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Хассий" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Мейтнерий" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Дармштадтий" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Рентгений" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Коперниций" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Нихоний" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Флеровий" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Московий" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Ливерморий" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Теннессин" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Оганесон" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Обзор" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Выберите файл:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Выберите исполняемый файл:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Файл не имеет расширения, поэтому его формат нельзя определить. Вы хотите " "его добавить?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "обработать" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Все файлы" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Ошибка чтения представления молекулы: Нераспознанный формат файла: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Не удалось найти опцию '%1'." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Название" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Теория" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Базис" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Заряд" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Нераспознанный тип поля '%1' для параметра '%2'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Ошибка установки значения по умолчанию для поля '%1'. Неподходящий тип " "виджета." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[Молекула не задана]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Шаро-стержневая модель" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Структурные мотивы" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Градиент" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Поверхности" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Ван-дер-Ваальсовы сферы" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Ван-дер-Ваальсовы АО" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Каркас" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Безымянный" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Периодическая система" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Скрипт не удалось запустить." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Скрипт вызвал критическую ошибку." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Добавить атом" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Удалить атом" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" "Автоматическое добавление\n" "атомов водорода" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Изменить элемент" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Изменить элемент" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Добавить связь" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Очистить связи" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Изменить порядок связи" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Привязка к связям" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Заполнить ячейку" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 #, fuzzy msgid "Change Selection" msgstr "Изменить выбор" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Параметры" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Файл" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "Экспорт" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "П&остроение" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Элемент:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Выровнять" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Ось:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Выровнять молекулы по осям координат" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Ошибка" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Ошибка" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Успешно" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "По Элементам" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "По Частичный заряке…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "вторичную структуру" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Аминокислоты" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Спектры" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Вид" #: qtplugins/applycolors/applycolors.cpp:153 #, fuzzy msgid "Color Atoms" msgstr "Цветные Атомы" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "Примените цвета" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Оптимизация" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Метод:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Температура:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Начать" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Остановить" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Оптимизировать геометрию" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Молекулярная динамика" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Показывать кратные связи" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Распознать связи" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Связь" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Распознать связи" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Каркас" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Лента" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Мультипликация" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Добавить центр масс" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Расширения" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Сценарии" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Другая…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Рассчитать" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Угол" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Тип" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Атом 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Атом 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Атом 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Атом 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Редактор координат…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Редактор координат" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Название элемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Символ элемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Номер атома." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "Координаты X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Координаты Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Координаты Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Настраиваемое" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Входной файл Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Копировать" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Удалить" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Копирование и вставка" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Взаимодействуйте с буфером обмена." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Сгенерируйте входные данные для CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Энергия" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Геометрическая оптимизация" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Методы электронной структуры (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Молекулярная механика" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Гибридный квантово-классический (Пока не поддерживается)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "НЕТ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Сопряжённые градиенты" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Наискорейший спуск" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Входной файл был изменен. Хотели бы вы перезаписать свои изменения, чтобы " "отразить новую геометрию или параметры задания?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Переписать измененный входной файл?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Сохранить входной файл CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Отправить расчет CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Импорт кристаллов из буфера обмена…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Ячейка тумблера" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Редактировать ячейку…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Вернуть атомы в элементарную ячейку" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Кристалл" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Добавить &Элементарную ячейку" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Импорт кристаллов из буфера обмена" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Вернуть атомы в элементарную ячейку." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Кристалл" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Невозможно разобрать текст" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Дипольный момент" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Рисовать" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Инструмент построение молекулы\t(%1)\n" "\n" "Нажатием и зажатием левой кнопки мыши можно создавать атомы и связи\n" "Нажатием правой кнопки мыши можно удалить атом" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Нарисовать атом" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Расстояние:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Автоматический" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Одинарная" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Двойная" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Тройная" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "Импортировать" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Загрузить PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Скачать химическую структуру" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Сетевой сбой при загрузке" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Истекло время соединения, или другая ошибка" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Не удалось найти молекулу: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Загрузить из PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Настроить…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Зафиксировать выделенные атомы" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 Энергия = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Оптимизация с помощью силового поля" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Входной файл GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Энергия в точке" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Равновесная геометрия" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Переходное состояние" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Частоты колебаний" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Сделать EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Псевдопотенциал" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Отсутствует" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "газовой фазе" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "воде" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Синглет" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Дублет" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Триплет" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Дикатион" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Катион" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Нейтральный" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Анион" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Дианион" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Автоматическое добавление атомов водорода" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Добавить атомы водорода" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Удалить атомы водорода" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Атомы водорода" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Атомы водорода" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "В&ставить" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Вставить ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Урацил" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Тимин" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Вставить Молекула…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Вставить ДНК" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Молекула…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Кристалл…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Импортировать кристалл" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Вставить фрагмент" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Вставить фрагмент" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Вставить фрагменты молекул для построения большей молекулы" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Цвет:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Расстояние от центра:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Нумерация" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Уникальный ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Элемент" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Надписи атомов:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Вы хотите обновить текст входного файла Lammps, потеряв все изменения, " "сделанные на панели предпросмотра?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Непрозрачность:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Нет описания!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Перемещение" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Измерение" #: qtplugins/measuretool/measuretool.cpp:54 #, fuzzy, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Линейка\t(%1)\n" "\n" "Левой кнопкой мыши:\tВыберите до 4 атомов.\n" "\tДлины связей измеряются между 1-2 и 2-3 атомами\n" "\tУгол связи измеряется между атомами 1-2-3, где 2 - центр угла\n" "\tДвугранный угол измеряется между 1-2-3-4\n" "Правой кнопкой мыши:\tОбнулить измерения." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Двугранный угол:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Угол:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Молекулярная…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Свойства" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Свойства молекулы" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Свойства молекулы" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Экспортировать CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Файлы CSV (*.csv);;Все файлы (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Не удалось открыть файл для записи." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Экспорт…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Навигация" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Инвертировать направление масштабирования при прокрутке" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Название вещества" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Настроить силовое поле…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Поиск конформеров…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Распознать связи" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Добавить протоны при pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Удалить атомы водорода" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Оптимизировать геометрию (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Добавить атомы водорода (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Добавить протоны при pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Удалить атомы водорода (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Вы хотите обновить текст входного файла OpenMM, теряя все изменения, " "сделанные на панели предпросмотра?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Состояние" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Генератор входного файла" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Динамические связи" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Пауза" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "видео файлы (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Сообщение об ошибке: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Сохранить файл" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Валентность" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Цвет" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Первый атом" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Последний атом" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Порядок связи" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Длина (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Вторичную Структура" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Вершина" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Угол (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Спираль 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Свойства атомов…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Свойства связей…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Свойства углов…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Свойства двугранных углов…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Окна, отображающие свойства атомов, связей, валентных и двугранных углов." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Свойства" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Свойства атомов" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Свойства связей" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Свойства углов" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Свойства двугранных углов" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Свойства конформеров" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Отображает элементы на основе свойств QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Открытие файла WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Файлы WFN (*.wfn);;Все файлы (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Расширение QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Изменить выбор" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Выделить" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Выделить остатку" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Выделить" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Выделение" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Первый атом" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Заполнить ячейку…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Международное" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Спектры" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "ИК" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "КР" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "ЯМР" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "электрон" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Плотности состояний" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Выберите цвет фона" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Выберите цвет линий" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Выберите цвет рассчитанных спектров" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Выберите цвет импортированных спектров" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Волновое число (см⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Интенсивности" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Химический сдвиг (м.д.)" #: qtplugins/spectra/spectradialog.cpp:818 #, fuzzy msgid "Electronic Spectra" msgstr "Электронная Спектры" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Энергия (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Стиль:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Орбиталь" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Симметрия" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "ВЗМО" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "НСМО" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Молекулярная орбиталь" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Электронная плотность" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(ВЗМО)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(НСМО)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Создать поверхности…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Расчет электронной плотности" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Симметрия…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Группа %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 #, fuzzy msgid "Template" msgstr "Шаблоны" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Начать анимацию" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Остановить анимацию" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Колебание" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Ошибка: Не удалось запустить %1" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Диалог" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Форма" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Отправить расчет…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Вставить фрагмент…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Фильтр:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Вставить" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Силовое поле:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Успешно!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Частичный заряд" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) #, fuzzy msgid "Charge Model:" msgstr "Заряд модель:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Добавить ограничения" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Тип:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Добавить" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Готово" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Бор" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Формат:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Очистить" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Применить" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Сбросить всё" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "По умолчанию" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Сохранить файл…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Основные параметры" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Название:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Рассчитать:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Настройки надъячейки" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Повторений по оси A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Повторений по оси B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Повторений по оси C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Применить" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Скрыть" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Текстовая метка" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Порядок связи:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " единицы измерения" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " шагов" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Входной файл GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "В:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Мультиплетность:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "С помощью:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Заряд:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "имя" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ДНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "РНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Аденин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Цитозин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Гуанин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Последовательность:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Другая" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Одинарная" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Двойная" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Аланин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Аргинин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Аспарагин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Аспарагиновая кислота" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Цистеин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Глутаминовая кислота" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Глутамин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Глицин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Гистидин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Изолейцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Тирозин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Триптофан" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Треонин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Серин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Пролин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Фенилаланин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Метионин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Лизин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Лейцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Последовательность (от N к C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Стереохимия:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N-конец:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C-конец:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Развернутая цепь" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Номер цепи:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Номер цепи для нового пептида" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "металл" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "электрон" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Потенциал воды" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Стиль атома" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "угол" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "атомный" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "заряд" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "диполь" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "эллипсоид" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "полный" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "молекулярный" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "пери" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "сфера" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Температура" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Временной шаг" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Размеры" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Граница" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Создать копию" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Создать копию размера X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Создать копию размера Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Создать копию размера Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "Гаусс" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Интервал вывода" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Одна строка" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Несколько строк" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Использовать форму" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Переведено:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Повернуть вокруг:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Центр" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Ось X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Ось Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Ось Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Поиск конформеров" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Метод" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Число конформеров:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Систематический поиск внутренних вращений" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Случайный поиск внутренних вращений" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Средневзвешенный поиск внутренних вращений" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Потомки:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Наискорейший спуск" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Силовое поле:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Стандарт" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Одинарная" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Двойная" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ограничения:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Общая энергия" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Длина волны:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Ковалентный" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Постоянный размер" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Коэффициент масштабирования:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Внешний вид" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Импортированные спектры.." #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Показать" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Импортирует экспериментальные спектры в формате tsv и отображает на том же " "графике" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Фон:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Рассчитанного спектра:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Экспортировать данные" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Закрыть" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Управление:\n" "Двойной щелчок левой кнопкой: Restore default axis limits\n" "Щелчок левой кнопкой + перемещение: Переместить график\n" "Щелчок средней кнопкой: Увеличить область\n" "Прокрутка: Увеличить под курсором" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Качество: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Низкое" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Среднее" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Высокое" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Очень высокое" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Создать поверхности" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Раскрасить по:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Электростатический потенциал" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Разрешение:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Параметр отсечения изоповерхности:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Светлый" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Рассчитать" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Молекула" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Линейное" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Линейное" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "из буфера обмена" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Группы" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Группа:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Амплитуда:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Alexei Klimenko,Andrey Smolenkov,Konstantin " "Tokarev,Koptev Oleg,Nick Gorbunov,Nkolay Parukhin,Petr E. Antonov,Vasily " "Astanin,Vladimir Kurg,dn2010, ,Launchpad Contributions:,Alexei " "Klimenko,Andrey Smolenkov,Konstantin Tokarev,Koptev Oleg,Nick " "Gorbunov,Nkolay Parukhin,Petr E. Antonov,Vasily Astanin,Vladimir " "Kurg,dn2010, ,Launchpad Contributions:,Konstantin Tokarev, ,Launchpad " "Contributions:,Konstantin Tokarev,Vasily Astanin, ,Launchpad " "Contributions:,Konstantin Tokarev,Nkolay Parukhin,Solodukhin D.,Vasily " "Astanin,dn2010, ,Launchpad Contributions:,Konstantin Tokarev,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad " "Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad " "Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad " "Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad " "Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,Wladimir " "Rossinski,dn2010, ,Launchpad Contributions:,Avogadro Team,Konstantin " "Tokarev,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily Astanin,Wladimir " "Rossinski,dn2010, ,Launchpad Contributions:,Auduf,Avogadro Team,Konstantin " "Tokarev,ManDrive,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily Astanin,Wladimir " "Rossinski,Yuri Kozlov,dn2010, ,Launchpad Contributions:,Auduf,Avogadro " "Team,Konstantin Tokarev,ManDrive,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily " "Astanin,Wladimir Rossinski,Yuri Kozlov,dn2010, ,Launchpad " "Contributions:,Auduf,Avogadro Team,Konstantin Tokarev,ManDrive,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,Wladimir Rossinski,Yuri " "Kozlov,dn2010" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,annulen@yandex.ru,,,nik@sevpinro.ru,,madcad@yandex.ru,,dn2010@km.ru,,,,,annulen@yandex.ru,,,nik@sevpinro.ru,,madcad@yandex.ru,,dn2010@km.ru,,,annulen@yandex.ru,,,annulen@yandex.ru,madcad@yandex.ru,,,annulen@yandex.ru,parukhin@gmail.com,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,,dn2010@km.ru,,,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,,dn2010@km.ru,,,5097@mail.ru,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,roman_romul@mail.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,,yuray@komyakino.ru,dn2010@km.ru,,,5097@mail.ru,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,roman_romul@mail.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,,yuray@komyakino.ru,dn2010@km.ru,,,5097@mail.ru,avogadro-" "devel@lists.sourceforge.net,annulen@yandex.ru,roman_romul@mail.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,,yuray@komyakino.ru,dn2010@km.ru" #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Углы:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Отменить" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(ожидается)" #, fuzzy, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Инструмент для пометки атомов\t(%1)\n" #~ "\n" #~ "Нажатием левой кнопки мыши на определенном атоме можно инициировать\n" #~ "текстовое поле для создания текстовой метки на атоме" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Окна, отображающие свойства атомов, связей, валентных и двугранных углов." #, fuzzy #~ msgid "&Analysis" #~ msgstr "Аналитический" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Импорт..." #~ msgid "Set Color..." #~ msgstr "Выбрать..." #~ msgid "&Export..." #~ msgstr "&Экспорт..." #~ msgid "&Load data..." #~ msgstr "&Загрузить данные" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Частичный заряд" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Инструмент построение молекулы\n" #~ "\n" #~ "Нажатием и зажатием левой кнопки мыши можно создавать атомы и связи\n" #~ "Нажатием правой кнопки мыши можно удалить атом" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Инструмент для пометки атомов\n" #~ "\n" #~ "Нажатием левой кнопки мыши на определенном атоме можно инициировать\n" #~ "текстовое поле для создания текстовой метки на атоме" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Линейка\n" #~ "\n" #~ "Левой кнопкой мыши: \t Выберите до 4 атомов.\n" #~ "\tДлины связей измеряются между 1-2 и 2-3 атомами\n" #~ "\tУгол связи измеряется между атомами 1-2-3, где 2 - центр угла\n" #~ "\tДвугранный угол измеряется между 1-2-3-4\n" #~ "Правой кнопкой мыши: \tОбнулить измерения." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Инструмент изменения обзора\n" #~ "\n" #~ "Зажатием левой кнопки мыши вы можете вращать молекулу\n" #~ "Прокруткой (или зажимая Shift) вы можете масштабировать молекулу\n" #~ "Правой кнопкой мыши вы можете перемещать молекулу.\n" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Анимация" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Инструмент для выделения атомов\n" #~ "\n" #~ "Нажатием левой кнопки мыши вы можете выделить отдельные атомы или " #~ "фрагменты\n" #~ "\tЗажав ЛКМ и передвигая курсор вы можете выделить сразу несколько " #~ "атомов\n" #~ "Нажатием правой кнопки мыши в пространстве за молекулой можно снять " #~ "выделение\n" #~ "Нажатием Ctrl (Command) вы можете инвертировать выделение, а зажатием " #~ "Shift добавить к текущему выделению.\n" #~ "Двойным нажатием вы можете выделить весь фрагмент целиком." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Инструмент для манипуляций над структурой\n" #~ "\n" #~ "Зажмите левую кнопку мыши, чтобы передвинуть атом\n" #~ "Зажмите правую кнопку мыши, чтобы вращать выбранный атом\n" #~ msgid "Geometry" #~ msgstr "Геометрия" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Добавить &Элементарную ячейку" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Номера атомов" #, fuzzy #~ msgid "By Distance" #~ msgstr "Расстояние" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Номера атомов" #, fuzzy #~ msgid "&Copy" #~ msgstr "Копировать всё" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Заряд молекулы:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Молекулярная масса (г/моль):" #~ msgid "Chemical Formula:" #~ msgstr "Химическая формула:" #~ msgid "Number of Atoms:" #~ msgstr "Количество атомов:" #~ msgid "Number of Bonds:" #~ msgstr "Количество связей:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Размер перехода:" #, fuzzy #~ msgid "In." #~ msgstr "В:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Фрагмент..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Функционал плотности:" #~ msgid "Other..." #~ msgstr "Другой..." #, fuzzy #~ msgid "Filename" #~ msgstr "Имя файла:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Структура:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Навигация" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Навигация" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Название элемента" #~ msgid "All files (*);;" #~ msgstr "Все файлы (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Ромбоэдрическая" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Молекула" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Молекула не задана" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Кристалл..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Добавить протоны при pH..." #~ msgid "Atom Properties..." #~ msgstr "Свойства атомов..." #~ msgid "Bond Properties..." #~ msgstr "Свойства связей..." #~ msgid "Angle Properties..." #~ msgstr "Свойства углов..." #~ msgid "Torsion Properties..." #~ msgstr "Свойства двугранных углов..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Свойства молекулы..." #~ msgid "Create Surfaces..." #~ msgstr "Создать поверхности..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Симметрия" #~ msgid "Insert Fragment..." #~ msgstr "Вставить фрагмент..." #~ msgid "Theory:" #~ msgstr "Теория:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Расстояние (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Вращение" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Конформер %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Конформер %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Угол %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Конформер %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Двугранный угол %1" #~ msgid "Torsion" #~ msgstr "Двугранный угол" #~ msgid "Energy (kJ/mol)" #~ msgstr "Энергия (кДж/моль)" #~ msgid "Yes" #~ msgstr "Да" #~ msgid "No" #~ msgstr "Нет" #, fuzzy #~ msgid "Import" #~ msgstr "Импортировать" #~ msgid "Insert SMILES" #~ msgstr "Вставить SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Вставить фрагмент, используя SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Вставить кристалл" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Вставить фрагменты молекул для построения большей молекулы" #~ msgid "E&xtensions" #~ msgstr "Рас&ширения" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Оптимизировать геометрию" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Оптимизация геометрии" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Добавить атомы водорода" #, fuzzy #~ msgid "Stopped" #~ msgstr "Остановить" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Поверхности" #~ msgid "Color by Index" #~ msgstr "порядковому номеру атома" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Раскрасить по порядковому номеру атома (красный, оранжевый, жёлтый, " #~ "зелёный, синий, фиолетовый)." #~ msgid "Color by Partial Charge" #~ msgstr "частичному заряду атома" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Раскрасить по частичному заряду атома (синий = положительный, красный = " #~ "отрицательный)." #~ msgid "Custom Color:" #~ msgstr "Другой цвет:" #~ msgid "Set custom colors for objects" #~ msgstr "Настроить цвета объектов" #~ msgid "Color by Distance" #~ msgstr "расстоянию" #~ msgid "Color by distance from the first atom." #~ msgstr "Раскрасить по расстоянию от первого атома" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Раскрасить по элементу (углерод = серый, кислород = красный, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "" #~ "Раскрасить согласно аминокислотному остатку (тип аминокислоты, " #~ "гидрофобность, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Запрос SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Цвет подсветки:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "запросу SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Выделить фрагменты, удовлетворяющие запросу SMARTS" #~ msgid "Ununtrium" #~ msgstr "Унунтрий" #~ msgid "Ununpentium" #~ msgstr "Унунпентий" #~ msgid "Ununseptium" #~ msgstr "Унунсептий" #~ msgid "Ununoctium" #~ msgstr "Унуноктий" #~ msgid "Engines" #~ msgstr "Движки" #~ msgid "Axes" #~ msgstr "Оси" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Отображает атомы шарами, а связи стержнями" #~ msgid "Dipole" #~ msgstr "Диполь" #~ msgid "Hydrogen Bond" #~ msgstr "Водородные связи" #~ msgid "Renders hydrogen bonds" #~ msgstr "Отображает водородные связи" #~ msgid "Select Atom Labels Color" #~ msgstr "Выбрать цвет подписей атомов" #~ msgid "Select Bond Labels Color" #~ msgstr "Выбрать цвет подписей связей" #~ msgid "Select Bond Labels Font" #~ msgstr "Шрифт подписей связей:" #~ msgid "Polygon" #~ msgstr "Многоугольник" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Отображает атомы как тетраэдры, октаэдры и другие многогранники" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Отображает остов белка лентами" #~ msgid "Ring" #~ msgstr "Цикл" #~ msgid "Renders rings with colored planes" #~ msgstr "Отображает циклы разноцветными плоскостями" #~ msgid "Simple Wireframe" #~ msgstr "Простой каркас" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Отображает связи каркасом, идеально подходит для больших молекул" #~ msgid "Van der Waals Spheres" #~ msgstr "Сферы Ван дер Ваальса" #~ msgid "Stick" #~ msgstr "Стержни" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Поверхность электронной плотности, предел = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, изоповерхность = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Отображает связи как каркас, отлично подходит для очень больших " #~ "(био)молекул" #~ msgid "Trajectory files" #~ msgstr "Файлы траекторий" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Файлы HISTORY DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Открытие файла траектории" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Добавление расширения .avi" #~ msgid "Animation..." #~ msgstr "Анимация..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Невозможно определить формат файла %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Не удалось прочитать файл траектории %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Нужно указать правильное имя .avi файла" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL виджеты не были правильно инициализированы для сохранения видео" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Неправильное имя видеофайла. Имя должно содержать полный путь" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Неправильное имя видеофайла. Имя должно содержать полный путь и название, " #~ "оканчивающееся на .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Не удалось определить формат по названию файла: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Анимировать траектории, реакции и колебания" #~ msgid "Cartesian Editor" #~ msgstr "Редактор декартовых координат..." #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Для молекулы не определена элементарная ячейка, поэтому использовать " #~ "дробные координаты невозможно" #~ msgid "Cartesian Editor..." #~ msgstr "Редактор декартовых координат..." #~ msgid "Cartesian editor" #~ msgstr "Редактор декартовых координат" #~ msgid "Number of atoms: %1" #~ msgstr "Количество атомов: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Число связей с вращением: %1" #~ msgid "Add constraint" #~ msgstr "Добавить ограничение" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "В вашей молекуле должен быть как минимум один атом для добавления " #~ "ограничения" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "В вашей молекуле должно быть как минимум два атома для добавления " #~ "ограничения связи" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "В вашей молекуле должно быть как минимум три атома для добавления " #~ "ограничения угла" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "В вашей молекуле должно быть как минимум четыре атома для добавления " #~ "ограничения двугранного угла" #~ msgid "&Crystallography" #~ msgstr "Кристаллография" #~ msgid "&Length Unit" #~ msgstr "Единица длины" #~ msgid "&Angle Unit" #~ msgstr "Единица угла" #~ msgid "Show &Editors" #~ msgstr "Показать &Редакторы" #~ msgid "Hide &Property Display" #~ msgstr "Спрятать Диалог &Свойств" #~ msgid "Show &Property Display" #~ msgstr "Показать Диалог &Свойств" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Тип решётки: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Объём элементарной ячейки: %L1%2" #~ msgid "Undefined" #~ msgstr "Не определено" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Триклинная" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Моноклинная" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Орторомбическая" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Тетрагональная" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Гексагональная" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Кубическая" #~ msgid "Paste Crystal" #~ msgstr "Вставить кристалл" #~ msgid "&Bohr" #~ msgstr "Бор" #~ msgid "&Nanometer" #~ msgstr "Нанометр" #~ msgid "&Picometer" #~ msgstr "Пикометр" #~ msgid "&Degree" #~ msgstr "Градус" #~ msgid "&Radian" #~ msgstr "Радиан" #~ msgid "Crystallography" #~ msgstr "Кристаллография" #~ msgid "VASP Format\n" #~ msgstr "Формат VASP\n" #~ msgid "Cartesian Coordinates" #~ msgstr "Декартовы координаты" #~ msgid "Working..." #~ msgstr "Идёт работа..." #~ msgid "Build" #~ msgstr "Сборка" #~ msgid "Please select one or more atoms." #~ msgstr "Пожалуйста, выберите один или несколько атомов." #~ msgid "Trajectory..." #~ msgstr "Траектория..." #~ msgid "Open chemical file format" #~ msgstr "Открыть файл химического формата" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Химические файлы (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Открыть файл параметров" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Химические файлы (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Импортировать траекторию" #~ msgid "Import trajectory files" #~ msgstr "Импортировать файлы траекторий" #~ msgid "Calculate Energy" #~ msgstr "Рассчитать энергию" #~ msgid "Conformer Search..." #~ msgstr "Поиск конформеров" #~ msgid "Constraints..." #~ msgstr "Ограничения..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Не удалось использовать выбранное силовое поле для данной молекулы. " #~ "Переключаюсь на UFF." #~ msgid "Systematic Rotor Search" #~ msgstr "Систематический поиск внутренних вращений" #~ msgid "Random Rotor Search" #~ msgstr "Случайный поиск внутренних вращений" #~ msgid "Weighted Rotor Search" #~ msgstr "Средневзвешенный поиск внутренних вращений" #~ msgid "ForceField" #~ msgstr "Силовое поле" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Оптимизировать молекулы и выбрать конформеры, используя " #~ "молекулярномеханические силовые поля" #~ msgid "&Vector Graphics..." #~ msgstr "Векторная графика..." #~ msgid "Common vector image formats" #~ msgstr "Распространенные форматы векторной графики" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Экспорт в формате векторной графики" #~ msgid "Change H to Methyl" #~ msgstr "Заменить H на метил" #~ msgid "H to Methyl" #~ msgstr "H на метил" #~ msgid "H2Methyl" #~ msgstr "H2Метил" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Превратить атомы водорода в метильные группы" #~ msgid "Add or remove hydrogens" #~ msgstr "Добавить или удалить атомы водорода" #~ msgid "Peptide..." #~ msgstr "Пептид..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Вставить олигопептидную последовательность" #~ msgid "Invert Chirality" #~ msgstr "Инвертировать хиральность" #~ msgid "InvertChiral" #~ msgstr "Инверсия хиральности" #~ msgid "Invert chiral centers" #~ msgstr "Инверсия центров хиральности" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "неизвестно" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Оценочный дипольный момент (Д):" #~ msgid "Fetch by chemical name..." #~ msgstr "Загрузить по названию..." #~ msgid "Fetch from URL..." #~ msgstr "Загрузить по URL..." #~ msgid "PDB Entry" #~ msgstr "Запись PDB" #~ msgid "PDB entry to download." #~ msgstr "Запись PDB для загрузки" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL молекулы для загрузки" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Данная молекула не может быть загружена: %1" #~ msgid "Network Fetch" #~ msgstr "Загрузка по сети" #~ msgid "Fetch molecule files over the network." #~ msgstr "Скачать файлы молекул по сети" #~ msgid "Show Preview" #~ msgstr "Предпросмотр" #~ msgid "Hide Preview" #~ msgstr "Скрыть предпросмотр" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Сохранить визуализированное изображение, созданное POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Файлы изображений (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Не указано корректное имя фала." #~ msgid "Does not compute." #~ msgstr "Не вычислять." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Вы попросили не использовать прямую визуализацию в POV-Ray и не сохранять " #~ "файл POV-Ray. Это приведет к тому, что результаты не будут сохранены. Вы " #~ "уверены, что это то, что вы хотите?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не удается записать файл %1. У вас есть разрешение на запись по " #~ "указанному адресу?" #~ msgid "POV-Ray failed to start." #~ msgstr "Не удалось запустить POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Не удалось запустить POV-Ray. Возможно, путь к исполняемому файлу указан " #~ "неправильно." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Создать файлы POV-Ray и визуализировать их, используя консольную " #~ "программу POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Свойства конформеров..." #~ msgid "Python Terminal" #~ msgstr "Терминал Python" #~ msgid "pythonTerminalDock" #~ msgstr "Док терминала python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Интерактивный терминал для сценариев Python" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла Dalton, теряя все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "QM Matches" #~ msgstr "QM соответствует" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Фрагмент EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Фрагмент QM..." #~ msgid "You must make a selection!" #~ msgstr "Вы должны создать выделение!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Недоступно преобразование из SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Недоступно преобразование из SMILES!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "ЭСП" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Создать входные файлы для квантовохимического пакета GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Изменены расширенные настройки" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Изменены расширенные настройки.\n" #~ "Отменить?" #~ msgid "Advanced Settings Reset" #~ msgstr "Сброс расширенных настроек" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Вы уверены, что хотите сбросить расширенные настройки?\n" #~ "Все изменения будут потеряны!" #~ msgid "Basic Settings Reset" #~ msgstr "Сброс основных настроек" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Вы уверены, что хотите сбросить основные настройки?\n" #~ "Все изменения будут потеряны!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла GAMESS-UK, потеряв все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Входной файл GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Входной файл Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Gaussian запущен." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian уже запущен. Подождите, пока закончится предыдущий расчет." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian не установлен." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Исполняемый файл G03 не найден." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Не удалось запустить G03. Возможно, он установлен неправильно." #~ msgid "Running Gaussian calculation..." #~ msgstr "Проводится расчет Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "Работа G03 завершилась аварийно." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian завершил работу некорректно. Возможно, он установлен неправильно." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Вы действительно хотите обновить текст, потеряв все изменения, внесенные " #~ "в области предварительного просмотра?" #~ msgid "Molpro Input Deck" #~ msgstr "Входной файл Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Предупреждение генератора входных файлов MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Входной файл MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Идет расчет в MOPAC." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC уже запущен. Подождите завершения предыдущего расчета." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC не установлен" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Исполняемый файл MOPAC не найден" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC не запустился. Возможно, он установлен не правильно." #~ msgid "Running MOPAC calculation..." #~ msgstr "Идет расчет в MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC завершился некорректно." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC не был запущен правильно. Возможно, он неправильно установлен." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла NWChem, теряя все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "NWChem Input Deck" #~ msgstr "Входной файл NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла Q-Chem, теряя все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "QChem Input Deck" #~ msgstr "Входной файл QChem" #~ msgid "Select SMARTS..." #~ msgstr "Выделить SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Добавить именованное выделение..." #~ msgid "SMARTS Selection" #~ msgstr "Выделить SMILES" #~ msgid "SMARTS pattern to select" #~ msgstr "Выделить фрагмент, отвечающий SMILES" #~ msgid "There is no current selection." #~ msgstr "Ничего не выделено" #~ msgid "Add Named Selection" #~ msgstr "Добавить именованное выделение" #~ msgid "Name cannot be empty." #~ msgstr "Имя не может быть пустым" #~ msgid "There is already a selection with this name." #~ msgstr "Выделение с этим именем уже существует" #~ msgid "Selections" #~ msgstr "Выделение" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Выделить атомы, связи, аминокислотные остатки..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL шейдеры..." #~ msgid "Open a vertex shader source file" #~ msgstr "Открыть исходный файл вершинного шейдера" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Файлы вершинных шейдеров (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "открыть исходный файл пиксельного шейдера" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Файлы шейдеров фрагментов (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Открыть файл параметров шейдеров" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Файл параметров шейдеров (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL шейдеры" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Загрузить и использовать GLSL шейдеры OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Интенсивность (у.е.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Плотность состояний (сост./ячейку)" #~ msgid "Density of States (states/atom)" #~ msgstr "Плотность состояний (сост./атом)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Плотность состояний (состояний/валентный электрон)" #~ msgid "Transmittance (%)" #~ msgstr "Пропускание T(%)" #~ msgid "Absorbance (%)" #~ msgstr "Поглощение A(%)" #~ msgid "No intensities" #~ msgstr "Без интенсивностей" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Информация о колебаниях данной молекулы не содержит интенсивностей. Для " #~ "визуализации будут использованы произвольные значения интенсивностей" #~ msgid "Activity" #~ msgstr "Активности" #~ msgid "X Axis" #~ msgstr "Ось X" #~ msgid "Y Axis" #~ msgstr "Ось Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Настройки &ИК спектра" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "ЯМР" #~ msgid "&NMR Spectra Settings" #~ msgstr "Настройки ЯМР спектров" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Плотность состояний" #~ msgid "&UV Settings" #~ msgstr "Настройки &УФ" #~ msgid "&CD Settings" #~ msgstr "Настройки &КД" #~ msgid "&Raman Settings" #~ msgstr "Настройки &КР" #~ msgid "No data" #~ msgstr "Нет данных" #~ msgid "Dark" #~ msgstr "Темный" #~ msgid "Publication" #~ msgstr "Публикация" #~ msgid "Handdrawn" #~ msgstr "От руки" #~ msgid "New Scheme" #~ msgstr "Новая схема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Подтвердить удаление схемы" #~ msgid "Really remove current scheme?" #~ msgstr "Действительно удалить данную схему?" #~ msgid "Change Scheme Name" #~ msgstr "Изменить название схемы" #~ msgid "Enter new name for current scheme:" #~ msgstr "Введите новое название для данной схемы:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Значения, разделенные табуляциями (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Значения, разделенные табуляциями" #~ msgid "Comma Separated Values" #~ msgstr "Значения, разделенные запятыми" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Неизвестное расширение: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "IR спектр из PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "IR спектр из Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "УФ спектр из Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "КД спектр из Turbomole (control)" #~ msgid "Data Format" #~ msgstr "Формат данных" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Формат:" #~ msgid "Load Spectral Data" #~ msgstr "Загрузить спектры" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "CD-файл Turbomole имеет неправильный формат : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Переносимая сетевая графика (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Размеченный формат файлов изображений (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Растровое изображение Windows" #~ msgid "Portable Pixmap" #~ msgstr "Портативное растровое изображение (PPM)" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Сохранить спектр как изображение" #~ msgid "&Advanced <<" #~ msgstr "&Дополнительно <<" #~ msgid "&Advanced >>" #~ msgstr "&Дополнительно >>" #~ msgid "&Spectra..." #~ msgstr "&Спектры..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Визуализировать спектральные данные из квантовохимических расчетов" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Колебательный анализ" #~ msgid "No vibrational displacements exist." #~ msgstr "Колебательные смещения отсутствуют" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Показать колебательные моды из квантовохимического расчета" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Сортировка %1 колебаний по частоте..." #~ msgid "Super Cell Builder..." #~ msgstr "Построение надъячейки..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Сейчас в этом документе изолированная молекула. Вам нужно создать " #~ "элементарную ячейку." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Строит и отображает кристаллографические надъячейки" #~ msgid "Molecular Orbitals..." #~ msgstr "Молекулярные орбитали..." #~ msgid "Orbitals" #~ msgstr "Орбитали" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Пустой" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Ван-дер-Ваальсовы сферы" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Электронная плотность" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Ошибка — не определен тип" #~ msgid "Calculating VdW Cube" #~ msgstr "Расчет куба Ван-дер-Ваальса" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Расчет МО %L1" #~ msgid "VdW" #~ msgstr "Ван-дер-Ваальс" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Рассчитать молекулярные орбитали и другие поверхности" #~ msgid "Building..." #~ msgstr "Сборка..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Невозможно создать видео, т.к. виджет GL не инициализировался корректно" #~ msgid "GL widget has no molecule" #~ msgstr "В GL-виджете отсутствует молекула" #~ msgid "Building video " #~ msgstr "Создание видео " #~ msgid "Could not run mencoder." #~ msgstr "Не удалось запустить mencoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Соотношение сторон" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Текущее изображение в Avogadro имеет размер %1x%2 пикселей, и соотношение " #~ "сторон составляет %3.\n" #~ "Вы можете оставить это значение, например, если хотите получить с помощью " #~ "POV-Ray\n" #~ "изображение размером %4x1000 пикселей, или введите любое положительное " #~ "число, например 1,\n" #~ "если хотите получить с помощью POV-Ray квадратное изображение, например, " #~ "1000x1000 пикселей." #~ msgid "Connect" #~ msgstr "Соединить" #~ msgid "Disconnect" #~ msgstr "Разъединить" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Отслеживание Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Движение выполняется с помощью пультов Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Неправильный контекст OpenGL.\n" #~ "Либо что-то нарушено в вашей инсталляции OpenGL (вы можете запустить " #~ "какое-нибудь OpenGL-приложение?), либо вы нашли ошибку в программе." #~ msgid "Debug Information" #~ msgstr "Отладочная информация" #~ msgid "FPS: %L1" #~ msgstr "Кадров в секунду: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Размер окна просмотра: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Атомы: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: номер %1 недостижим." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Чтение типа файлов '%1' не поддерживается" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Для типа файлов файла '%1' не поддерживается чтение." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Не удалось прочитать молекулу с номером %1 из файла '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: номер %1 недостижим." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Для типа файлов '%1' не поддерживается запись." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Для типа файлов файла '%1' не поддерживается запись." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Не удалось открыть файл '%1' для чтения." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Замена молекулы с номером %1 в файле '%2' не удалась." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Файл %1 не может быть открыт для чтения." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Файл %1 не может быть открыт для записи" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Не удалось сохранить файл молекулы - не получилось переименовать " #~ "исходный файл." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Не удалось сохранить файл молекулы - не получилось переименовать новый " #~ "файл." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Не удалось сохранить файл молекулы - не получилось удалить старый файл." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Не удалось записать молекулу в файл '%1'. Ошибка функции OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Файл %1не может быть открыт для записи." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Не удалось записать конформеры в файл '%1'." #~ msgid "Molecule %1" #~ msgstr "Молекула %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Неизвестный движок Python" #~ msgid "N/A" #~ msgstr "Н/Д" #~ msgid "PythonEngine: checking " #~ msgstr "Движок на Python: проверка " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - в сценарии не определен класс 'Engine'" #~ msgid " - no module" #~ msgstr " - нет модуля" #~ msgid "Unknown Python Extension" #~ msgstr "Неизвестное расширение Python" #~ msgid "PythonExtension: checking " #~ msgstr "Расширение на Python: проверка " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - в сценарии не определен класс 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Неизвестный инструмент на Python" #~ msgid "PythonTool: checking " #~ msgstr "Инструмент на Python: проверка " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - в сценарии не определен класс 'Tool'" #~ msgid "Tools" #~ msgstr "Инструменты" #~ msgid "Align:" #~ msgstr "Выровнять:" #~ msgid "Everything" #~ msgstr "Всё" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Невозможно установить силовое поле" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Количество ограничений: %1" #~ msgid "Steps per Update:" #~ msgstr "Шагов до обновления:" #~ msgid "Algorithm:" #~ msgstr "Алгоритм:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Молекулярная динамика (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Молекулярная динамика (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Закреплённые атомы могут перемещаться" #~ msgid "Ignored atoms are movable" #~ msgstr "Игнорируемые атомы могут перемещаться" #~ msgid "AutoOpt Molecule" #~ msgstr "Автооптимизация молекулы" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Автоматическая оптимизация геометрии молекулы" #~ msgid "AutoOptimization Settings" #~ msgstr "Настройки автооптимизации" #~ msgid "Auto Rotation Tool" #~ msgstr "Инструмент автоматического вращения" #~ msgid "x rotation:" #~ msgstr "вращение по оси Х:" #~ msgid "x rotation" #~ msgstr "вращение по оси Х:" #~ msgid "y rotation:" #~ msgstr "вращение по оси Y:" #~ msgid "y rotation" #~ msgstr "вращение по оси Y:" #~ msgid "z rotation:" #~ msgstr "вращение по оси Z:" #~ msgid "z rotation" #~ msgstr "вращение по оси Z:" #~ msgid "Automatic rotation of molecules" #~ msgstr "Автоматическое вращение молекул" #~ msgid "AutoRotate Settings" #~ msgstr "Настройки автоматического вращения" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Длина связи: %L1" #~ msgid " Show Angles" #~ msgstr " Показать углы" #~ msgid "Snap-to Threshold: " #~ msgstr "Порог привязки: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Перемещение связей" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Изменение длин связей, углов и двугранных углов" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Настройки перемещения связей" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Расстояние (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Расстояние (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Двуганный угол: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Расстояние(я):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Измерение длин связей, углов и двугранных углов" #~ msgid "Draw Bond" #~ msgstr "Нарисовать связь" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Рисование и правка атомов и связей" #~ msgid "Draw Settings" #~ msgstr "Настройки рисования" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Перемещение, поворот и подгонка атомов и фрагментов" #~ msgid "Manipulate Settings" #~ msgstr "Настройки перемещения" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Перемещение, поворот и масштабирование текущего окна просмотра" #~ msgid "Navigate Settings" #~ msgstr "Настройки навигации" #~ msgid "Selection Mode:" #~ msgstr "Режим выделения:" #~ msgid "Atom/Bond" #~ msgstr "Атом/Связь" #~ msgid "Residue" #~ msgstr "Аминокислотный остаток" #~ msgid "Change color of the atom" #~ msgstr "Изменить цвет атома" #~ msgid "Change label of the atom" #~ msgstr "Изменить надпись на атоме" #~ msgid "Change label of the bond" #~ msgstr "Изменить надпись на связи" #~ msgid "Change radius of the atom" #~ msgstr "Изменить радиус атома" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Новый радиус, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Выделение атомов, аминокислотных остатков и молекул" #~ msgid "Symbol" #~ msgstr "Символ" #~ msgid "Bond Length" #~ msgstr "Длина связи" #~ msgid "Dihedral Angle" #~ msgstr "Двугранный угол" #~ msgid "Z Matrix Editor..." #~ msgstr "Редактор Z-матриц" #~ msgid "Z-Matrix" #~ msgstr "Z-матрица" #~ msgid "Create/edit a z-matrix" #~ msgstr "Создать/редактировать Z-матрицу" #~ msgid "Z-Matrix Settings" #~ msgstr "Настройки Z-матрицы" #~ msgid "Color residues by:" #~ msgstr "Раскрашивать остатки:" #~ msgid "Hydrophobicity" #~ msgstr "Гидрофобность" #~ msgid "Axes:" #~ msgstr "Оси:" #~ msgid "Cartesian Axes" #~ msgstr "Декартовы оси" #~ msgid "Orthogonal Axes" #~ msgstr "Ортогональные оси" #~ msgid "Axis 1:" #~ msgstr "Ось 1:" #~ msgid "Axis 2:" #~ msgstr "Ось 2:" #~ msgid "Axis 3:" #~ msgstr "Ось 3:" #~ msgid "Norm" #~ msgstr "Норма" #~ msgid "Preserve vector norms" #~ msgstr "Сохранять нормы векторов" #~ msgid "Atom Radius:" #~ msgstr "Радиус атома:" #~ msgid "Bond Radius:" #~ msgstr "Радиус связи:" #~ msgid "Shape" #~ msgstr "Форма" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Петля" #~ msgid "Dipole:" #~ msgstr "Диполь:" #~ msgid "Custom Vector" #~ msgstr "Произвольный вектор" #~ msgid "Custom:" #~ msgstr "Произвольный:" #~ msgid "Cut-off radius:" #~ msgstr "Предельный радиус:" #~ msgid "Cut-off angle:" #~ msgstr "Предельный угол:" #~ msgid "Rendering Engine:" #~ msgstr "Движок визуализации:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Текст:" #~ msgid "Symbol & Number in Group" #~ msgstr "Символ и номер в группе" #~ msgid "Symbol & Atom number" #~ msgstr "Символ и номер атома" #~ msgid "Residue number" #~ msgstr "Номер аминокислотного остатка" #~ msgid "Custom data" #~ msgstr "Произвольная информация" #~ msgid "Change Font" #~ msgstr "Сменить шрифт" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Сдвиг надписи:" #~ msgid "Bond length" #~ msgstr "Длина связи" #~ msgid "Bond number" #~ msgstr "Номер связи" #~ msgid "Bond order" #~ msgstr "Порядок связи" #~ msgid "Lines" #~ msgstr "Линии" #~ msgid "Radius:" #~ msgstr "Радиус:" #~ msgid "Include Nitrogens" #~ msgstr "Включить атомы азота" #~ msgid "VdW Opacity:" #~ msgstr "Непрозрачность ван-дер-ваальсовых поверхностей" #~ msgid "Orbital:" #~ msgstr "Орбиталь:" #~ msgid "Render:" #~ msgstr "Визуализатор:" #~ msgid "Fill" #~ msgstr "Заливка" #~ msgid "Points" #~ msgstr "Точки" #~ msgid "Draw Box:" #~ msgstr "Нарисовать ячейку:" #~ msgid "Mapped Colors" #~ msgstr "Табличные цвета" #~ msgid "Positive" #~ msgstr "Положительная" #~ msgid "Negative" #~ msgstr "Отрицательная" #~ msgid "Show Atoms" #~ msgstr "Показать атомы" #~ msgid "Animate Trajectory" #~ msgstr "Анимировать траекторию" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Зациклить" #~ msgid "Save as .avi..." #~ msgstr "Сохранить как .avi..." #~ msgid "Angstroms" #~ msgstr "Ангстремы" #~ msgid "Bohrs" #~ msgstr "Боры" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, только координаты" #~ msgid "GAMESS Input #2" #~ msgstr "Входной файл GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Входной файл Priroda" #~ msgid "Apply Changes" #~ msgstr "Применить изменения" #~ msgid "Cut All" #~ msgstr "Вырезать всё" #~ msgid "Paste to the End" #~ msgstr "Вставить в конце" #~ msgid "(None)" #~ msgstr "(Нет)" #~ msgid "Sort by " #~ msgstr "Сортировать по " #~ msgid "Number of atoms:" #~ msgstr "Число атомов:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Число вращаемых связей" #~ msgid "Ignore Atom" #~ msgstr "Игнорировать атом" #~ msgid "Fix Atom" #~ msgstr "Зафиксировать атом" #~ msgid "Fix Atom X" #~ msgstr "Зафиксировать координату X атома" #~ msgid "Fix Atom Y" #~ msgstr "Зафиксировать координату Y атома" #~ msgid "Fix Atom Z" #~ msgstr "Зафиксировать координату Z атома" #~ msgid "Torsion angle" #~ msgstr "Двугранный угол" #~ msgid "Save" #~ msgstr "Сохранить" #~ msgid "Load" #~ msgstr "Загрузить" #~ msgid "Plane:" #~ msgstr "Плоскость:" #~ msgid "Width (x)" #~ msgstr "Ширина (x)" #~ msgid "Width (y)" #~ msgstr "Ширина (y)" #~ msgid "Height (z)" #~ msgstr "Высота (z)" #~ msgid "length" #~ msgstr "длина" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "Cartesian" #~ msgstr "Декартовы" #~ msgid "One" #~ msgstr "Один" #~ msgid "All" #~ msgstr "Все" #~ msgid "Color..." #~ msgstr "Цвет..." #~ msgid "Default View" #~ msgstr "Вид по умолчанию" #~ msgid "File Import..." #~ msgstr "импорт файла..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Попытаться распознать связи?" #~ msgid "Setup Force Field" #~ msgstr "Настроить силовое поле" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Число шагов" #~ msgid "Algorithm" #~ msgstr "Алгоритм" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Альфа-спираль" #~ msgid "Beta Sheet" #~ msgstr "Бета-лист" #~ msgid "Pi Helix" #~ msgstr "Пи-спираль" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Количество аминокислотных остатков:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Энергия (кДж/моль)" #~ msgid "Dipole Moment (D):" #~ msgstr "Дипольный момент (Д)" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Дополнительно" #~ msgid "Grid" #~ msgstr "Сетка интегрирования" #~ msgid "POV-Ray Export" #~ msgstr "Экспорт в POV-Ray" #~ msgid "Select..." #~ msgstr "Выбрать..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Использовать сглаживание для всего изображения" #~ msgid "Antialias" #~ msgstr "Сглаживание" #~ msgid "Set the background color to be transparent" #~ msgstr "Установить прозрачный цвет фона" #~ msgid "Alpha transparency" #~ msgstr "Альфа-прозрачность" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Визуализировать молекулу, используя интерфейс командной строки POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Сохранить входной файл POV-Ray после завершения визуализации" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Сохранить входной файл POV-Ray после визуализации" #~ msgid "Path:" #~ msgstr "Путь:" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Декартовый (Ангстрем)" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Рассчитать…" #~ msgid "Basics" #~ msgstr "Основное" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Добавляет то, что вы набираете в строку заголовка входного файла\n" #~ "для информации" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Попловские" #~ msgid "Jensen's polarization consistent" #~ msgstr "Поляризационно-согласованные Йенсена" #~ msgid "Dunning's correlation consistent" #~ msgstr "Корреляционно-согласованные Даннинга" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Функции корреляции внутренних электронов" #~ msgid "Diffuse functions" #~ msgstr "Диффузные функции" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Прямой" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Выполнять параллельно по возможности. Это возможно только для\n" #~ "волновых функций SCF и расчётов DFT. На данный момент Dalton \n" #~ "поддерживает только MPI и должен быть корректно собран и установлен.\n" #~ "Число узлов задается ключом \"-N #\" при запуске скрипта \"dalton\"." #~ msgid "Parallel" #~ msgstr "Параллельный" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0e-" #~ msgid "Grid Specification" #~ msgstr "Сетка" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Качество сетки:" #~ msgid "coarse" #~ msgstr "грубая" #~ msgid "normal" #~ msgstr "нормальная" #~ msgid "fine" #~ msgstr "хорошая" #~ msgid "ultrafine" #~ msgstr "очень хорошая" #~ msgid "Radial Scheme:" #~ msgstr "Радиальная схема:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Показать все функционалы" #~ msgid "Property:" #~ msgstr "Свойство:" #~ msgid "Polarizability" #~ msgstr "Поляризуемость" #~ msgid "Frequency Dependent" #~ msgstr "Частотно-зависимый" #~ msgid "EFP Matches" #~ msgstr "EFP соответствия" #~ msgid "Group Label:" #~ msgstr "Метка группы:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Расширенные настройки" #~ msgid "Hessian" #~ msgstr "Гессиан" #~ msgid "Stat Point" #~ msgstr "Стационарная точка" #~ msgid "System" #~ msgstr "Система" #~ msgid "MO Guess" #~ msgstr "Начальное приближение МО" #~ msgid "Misc" #~ msgstr "Прочее" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "Количество поляризационных функций D на тяжелых атомах" #~ msgid "Read" #~ msgstr "Прочитать" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Диффузная S-функция на тяжелых атомах" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Диффузная L-функция на тяжелых атомах" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Двухэкспоненциальный валентный" #~ msgid "Dunning/Hay DZ" #~ msgstr "Даннинг/Хэй DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Трехэкспоненциальный валентный" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA валентный" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt валентный" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Тип ECP:" #~ msgid "Default" #~ msgstr "По умолчанию" #~ msgid "Pople" #~ msgstr "Попл" #~ msgid "Pople N311" #~ msgstr "Попл N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "Поляризационных функций F на тяжелых атомах" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "Поляризационных функций на легких атомах" #~ msgid "Polar:" #~ msgstr "Полярный:" #~ msgid "Max SCF Iterations:" #~ msgstr "Максимум итераций SCF:" #~ msgid "Gradient" #~ msgstr "Градиент" #~ msgid "Saddle Point" #~ msgstr "Седловая точка" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Момент излучательного перехода" #~ msgid "Spin Orbit" #~ msgstr "Спин-орбитальное взаимодействие" #~ msgid "Finite Electric Field" #~ msgstr "Конечное электрическое поле" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Полная оптимизация" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO оптимизация" #~ msgid "Raman Intensities" #~ msgstr "Рамановские интенсивности" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Отсутствует" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Тип SCF:" #~ msgid "Localization Method:" #~ msgstr "Метод локализации:" #~ msgid "Exec Type:" #~ msgstr "Режим запуска:" #~ msgid "CI:" #~ msgstr "CI" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Детерминант Ames (ALDET)" #~ msgid "Full Second Order CI" #~ msgstr "Полное КВ второго порядка (FSOCI)" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Линаризованный CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC с двукратными возбуждениями" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC с одно- и двукратными возбуждениями" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Нормальный запуск" #~ msgid "Check" #~ msgstr "Проверка" #~ msgid "Debug" #~ msgstr "Отладка" #~ msgid "Run Type:" #~ msgstr "Тип расчета:" #~ msgid "Use MP2" #~ msgstr "Использовать MP2" #~ msgid "Use DFT" #~ msgstr "Использовать DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "число переменных Z-матрицы" #~ msgid "Ǻngstrom" #~ msgstr "Ангстрем" #~ msgid "Order of Principal Axis:" #~ msgstr "Порядок главной оси:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "Cs" #~ msgid "CI" #~ msgstr "Ci" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "Dnd" #~ msgid "DnH" #~ msgstr "Dnh" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "Td" #~ msgid "TH" #~ msgstr "Th" #~ msgid "OH" #~ msgstr "Oh" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Уникальные декартовы координаты" #~ msgid "Hilderbrant internals" #~ msgstr "Внутренние координаты Гильдербранта" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Использовать симметрию" #~ msgid "Point Group:" #~ msgstr "Точечная группа:" #~ msgid "Minutes" #~ msgstr "минут" #~ msgid "Hours" #~ msgstr "часов" #~ msgid "Days" #~ msgstr "дней" #~ msgid "Weeks" #~ msgstr "недель" #~ msgid "Years" #~ msgstr "лет" #~ msgid "Millenia" #~ msgstr "тысячелетий" #~ msgid "MegaWords" #~ msgstr "мегаслов" #~ msgid "MegaBytes" #~ msgstr "мегабайт" #~ msgid "GigaWords" #~ msgstr "гигаслов" #~ msgid "GigaBytes" #~ msgstr "гигабайт" #~ msgid "Force Parallel Methods" #~ msgstr "Использовать параллельные методы" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Создать core-файл при некорректном завершении" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "Якоби" #~ msgid "MemDDI:" #~ msgstr "Память DDI:" #~ msgid "Memory:" #~ msgstr "Память:" #~ msgid "Diagonalization Method:" #~ msgstr "Метод диагонализации:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Тип балансировки при параллельном выполнении" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Следующее значение" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Использовать внешнее представление данных для сообщений" #~ msgid "Hückel" #~ msgstr "Хюккель" #~ msgid "HCore" #~ msgstr "Голые ядра" #~ msgid "MO Read ($VEC)" #~ msgstr "Прочитать MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Сохраненные MO (DICTNRY)" #~ msgid "Skip" #~ msgstr "Пропустить" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Повернуть альфа- и бета-орбитали" #~ msgid "Print the Initial Guess" #~ msgstr "Выводить начальное приближение" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Интерфейс GAMESS к другим программам" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Использовать режим проверки" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Версия UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Сольватировать водой" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Сгенерировать натуральные орбитали UHF" #~ msgid "Direct SCF" #~ msgstr "Прямое ССП" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Рассчитывать только изменения фокиана (FDIFF)" #~ msgid "Slater exchange" #~ msgstr "Slater (обменный)" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 (обменный)" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) (корреляционный)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr (корреляционный)" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater (обменный) + VWN (корреляционный)" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE (обменный) + VWN5 (корреляционный)" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE (обменный) + LYP (корреляционный)" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 (обменный)" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) (обменный)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: однопараметрический прогрессивный (корреляционный)" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER (обменный) + Lee-Yang-Parr (LYP) (корреляционный)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER (обменный) + OP (корреляционный)" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE (обменный) + OP (корреляционный)" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL (обменный) + VWN5 (корреляционный)" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL (обменный) + LYP (корреляционный)" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE (обменный) + VWN6 (корреляционный)" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE (обменный) +LYP (корреляционный)" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE (обменный) + OP (корреляционный)" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE (обменный) + LYP (корреляционный)" #~ msgid "Grid-Free" #~ msgstr "Безсеточный" #~ msgid "AO Integral Storage" #~ msgstr "Хранение интегралов АО" #~ msgid "Duplicated on Each Node" #~ msgstr "Дублировать на каждом узле" #~ msgid "Distributed Across All Nodes" #~ msgstr "Распределить по всем узлам" #~ msgid "words" #~ msgstr "слов" #~ msgid "Compute MP2 Properties" #~ msgstr "Вычислить свойства для MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Предел сохранения интегралов:" #~ msgid "Use Localized Orbitals" #~ msgstr "Использо" #~ msgid "# of Core Electrons:" #~ msgstr "Число внутренних электронов" #~ msgid "Two Phase Bin Sort" #~ msgstr "Двухфазная бинарная сортировка" #~ msgid "Segmented Transformation" #~ msgstr "Сегментное преобразование" #~ msgid "Numeric" #~ msgstr "Численный" #~ msgid "Double Differenced Hessian" #~ msgstr "С двойным численным дифференцированием" #~ msgid "Print Internal Force Constants" #~ msgstr "Вывести внутренние силовые постоянные" #~ msgid "Displacement Size:" #~ msgstr "Величина шага:" #~ msgid "Purify Hessian" #~ msgstr "Спроецировать гессиан" #~ msgid "bohrs" #~ msgstr "бор" #~ msgid "Initial Hessian" #~ msgstr "Начальный гессиан" #~ msgid "Read (from $HESS)" #~ msgstr "Прочитать (из $HESS)" #~ msgid "Update Step Size" #~ msgstr "Величина шага обновления" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Выводить орбитали на каждой итерации" #~ msgid "Stationary Point" #~ msgstr "Стационарная точка" #~ msgid "Initial:" #~ msgstr "Исходный:" #~ msgid "Newton-Raphson" #~ msgstr "Ньютона-Рафсона" #~ msgid "Rational Function Optimization" #~ msgstr "Рациональная функция" #~ msgid "Quadratic Approximation" #~ msgstr "Квадратичная аппроксимация" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Шлегель (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Оптимизация с ограничениями" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Пересчитывать гессиан каждые:" #~ msgid "Follow Mode:" #~ msgstr "Следовать колебательной моде..." #~ msgid "Basis:" #~ msgstr "Базис:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-матрица" #~ msgid "Run in direct mode:" #~ msgstr "Выполнять в прямом режиме:" #~ msgid "Gaussian Input" #~ msgstr "Входной файл Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Обычная" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Контрольная точка:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-матрица (компактная)" #~ msgid "MOLPRO Input" #~ msgstr "Входной файл Molpro" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Версия Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Квартет" #~ msgid "Quintet" #~ msgstr "Квинтет" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Входной файл NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Входной файл Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "no" #~ msgstr "нет" #~ msgid "yes" #~ msgstr "да" #~ msgid "Dispersion:" #~ msgstr "Рассеивание:" #~ msgid "Load Shaders" #~ msgstr "Загрузить шейдеры" #~ msgid "Shader Name:" #~ msgstr "Имя шейдера:" #~ msgid "Vertex Shader:" #~ msgstr "Вершинный шейдер:" #~ msgid "Fragment Shader:" #~ msgstr "Шейдер фрагмента:" #~ msgid "Assign Shader" #~ msgstr "Назначить шейдер" #~ msgid "Display Type:" #~ msgstr "Тип отображения:" #~ msgid "Font:" #~ msgstr "Шрифт:" #~ msgid "Change Font..." #~ msgstr "Сменить шрифт..." #~ msgid "Foreground:" #~ msgstr "Передний план:" #~ msgid "New..." #~ msgstr "Новая..." #~ msgid "Rename..." #~ msgstr "Переименовать..." #~ msgid "&Schemes:" #~ msgstr "&Схемы..." #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Ширина:" #~ msgid "&Height" #~ msgstr "&Высота" #~ msgid "cm" #~ msgstr "см" #~ msgid "mm" #~ msgstr "мм" #~ msgid "in" #~ msgstr "дюймов" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Выбрать оптимизированный размер шрифта вместо заданного в схеме (точки " #~ "экрана и изображения плохо согласуются!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Автоподбор размера &шрифта" #~ msgid "&Gaussian Width:" #~ msgstr "Ширина &гауссова пика:" #~ msgid "&Label peaks" #~ msgstr "&Подписи пиков" #~ msgid "Energy units:" #~ msgstr "Единицы энергии:" #~ msgid "Density units" #~ msgstr "Единицы плотности" #~ msgid "Fermi Energy: " #~ msgstr "Энергия Ферми: " #~ msgid "Fermi energy at zero" #~ msgstr "Энергия Ферми при нуле" #~ msgid "&Y Axis Units:" #~ msgstr "Единицы измерения по оси &Y:" #~ msgid "Scaling Type:" #~ msgstr "Тип масштабирования:" #~ msgid "Relative" #~ msgstr "Относительное" #~ msgid "Laser Wavenumber:" #~ msgstr "Длина волны лазера:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_ЯМР" #~ msgid "Gaussian &Width:" #~ msgstr "Ширина &гауссова пика:" #~ msgid "Reset &Plot Axes" #~ msgstr "Сбросить &оси графика:" #~ msgid "Label Peaks:" #~ msgstr "Подписи пиков:" #~ msgid "ppm" #~ msgstr "м.д." #~ msgid "Molecular Vibrations" #~ msgstr "Молекулярные колебания" #~ msgid "Filter: " #~ msgstr "Фильтр: " #~ msgid "km/mol" #~ msgstr "км/моль" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (см⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (км/моль)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Активность (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Показать спектры..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "более высокочастотные колебания будут отображаться более быстрыми " #~ "движениями" #~ msgid "Animation speed set by frequency" #~ msgstr "Скорость анимации задается частотой" #~ msgid "Display force &vectors" #~ msgstr "Показать векторы &градиентов" #~ msgid "&Normalize displacements" #~ msgstr "Нормировать смещения" #~ msgid "&Recalculate All" #~ msgstr "Пересчитать &все" #~ msgid "Default &Quality:" #~ msgstr "Качество по &умолчанию" #~ msgid "Show occupied orbitals first" #~ msgstr "Показывать занятые первыми" #~ msgid "Surface Type:" #~ msgstr "Тип поверхности:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Низкое" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Среднее" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Высокое" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Наивысшее" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "В стиле отображения:" #~ msgid "New Display" #~ msgstr "Новый экран" #~ msgid "Advanced..." #~ msgstr "Дополнительно…" #~ msgid "&Length:" #~ msgstr "&Длина:" #~ msgid "Uni&t:" #~ msgstr "&Единица измерения:" #~ msgid "angstrom" #~ msgstr "ангстрем" #~ msgid "nanometers" #~ msgstr "нанометры" #~ msgid "Display visual cues" #~ msgstr "Показывать визуальные подсказки" #~ msgid "Python Settings" #~ msgstr "Настройки Python" #~ msgid "Z Matrix Editor" #~ msgstr "Редактор Z-матриц" OpenChemistry-avogadrolibs-ceb949f/i18n/sa.po000066400000000000000000007644321516317240700212340ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2020 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # rahul bahuguna , 2021. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2021-06-01 14:30+0000\n" "Last-Translator: rahul bahuguna \n" "Language-Team: Sanskrit \n" "Language: sa\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=n==1 ? 0 : n==2 ? 1 : 2;\n" "X-Generator: Weblate 4.7-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "शीर्षकहीन" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" OpenChemistry-avogadrolibs-ceb949f/i18n/sk.po000066400000000000000000010577411516317240700212450ustar00rootroot00000000000000# Slovak translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # Ivan Masár , 2009. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Slovak \n" "Language: sk\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=((n==1) ? 0 : (n>=2 && n<=4) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Zavrieť" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Neznámy" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vodík" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hélium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lítium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berýlium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bór" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Uhlík" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Dusík" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Kyslík" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluór" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neón" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodík" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Horčík" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Hliník" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Kremík" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Síra" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlór" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argón" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Draslík" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Vápnik" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titánium" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanád" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chróm" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangán" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Meď" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinok" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gálium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germánium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arzén" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selén" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bróm" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kryptón" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubídium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ytrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkón" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niób" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdén" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technécium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruténium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Ródium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paládium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Striebro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Cín" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimón" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telúr" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jód" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenón" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Bárium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantán" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cér" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Prazeodým" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodým" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prométium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samárium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Európium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolínium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprózium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Túlium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Yterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutécium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfrám" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rénium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Irídium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Ortuť" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tálium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polónium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astát" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radón" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Rádium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktínium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tórium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktínium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Urán" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptúnium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutónium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerícium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkélium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernícium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihónium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleróvium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskóvium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermórium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenés" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesón" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Všetky súbory" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Názov" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teória" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Jednoduché" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Guľa a tyčinka" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Náčrtok" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Označenie" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Povrchy" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waalsove" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waalsove (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drôtený model" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "bez názvu" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodická Tabuľka" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Pridať Atóm" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Upravte Vodíky" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Zmeniť Prvok" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Zmeniť Prvok" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Pridať Väzby" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Odstrániť Väzby" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Nastavenia" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Súbor" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Zostaviť" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Prvok:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Zarovnať" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Osa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "IO Chyba" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Chyba" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Úspešné" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Podľa Vlastné farby…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Podľa Prvok" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Podľa čiastkového náboja…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Zobrazenie" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Optimalizácia" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metóda:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Štart" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Stop" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekulárna Dynamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Väzby" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Hlavný Reťazec" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Náčrtok" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Maximálna vzdialenosť:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Rozšírenia" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Skripty" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Ďaľšie…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Vypočítať" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Typ" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atóm 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atóm 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atóm 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atóm 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Názov prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Značka Prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atómové číslo." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X súradnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y súradnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z súradnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Zmazať" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrická optimalizácia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Mechanika molekúl" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Kresliť" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Kresliť Atóm" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Vzdialenosť:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Jednoduchý" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dvojitý" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trojitý" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Uplynul časový limit siete alebo iná chyba." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Nastaviť…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Fixovať vybrané atómy" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Optimalizácia silového poľa" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Vstup GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Jednoduchý" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvencia" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Realizácia EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Nič" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Plyn" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutrálny" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Upravte Vodíky" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Pridať vodíky" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Odstrániť vodíky" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Vodíky" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodíky" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Vložiť" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Vložiť fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Vložiť fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Vložiť fragmenty molekúl na stavbu väčších molekúl" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "Farby:" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Vzdialenosť od centra:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Prvok" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Označenie Skupiny:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Chcete aktualizovať náhľad textu, pričom stratíte všetky zmeny vykonané vo " "vstupnom náhľade súboru Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Priehľadnosť:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Spravovať" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Rozsah" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekuly…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Vlastnosti" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Vlastnosti molekuly" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Vlastnosti molekuly" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Súbor sa nedá otvoriť pre zapisovanie." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigovať" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Nastaviť silové pole…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Pridať vodíky pre pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Odstrániť vodíky" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Pridať vodíky pre pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstrániť vodíky (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Chcete aktualizovať náhľad textu, pričom stratíte všetky zmeny vykonané vo " "vstupnom náhľade súboru OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "video súbory (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Uložiť súbor" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Mocenstvo" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Farby" #: qtplugins/propertytables/propertymodel.cpp:657 #, fuzzy msgid "Atom" msgstr "Atóm" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Koniec Atómu" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Objednať Väzby" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Dĺžka (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vrchol" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Uhol (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Vlastnosti atómu…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Vlastnosti väzby…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Vlastnosti uhla…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Vlastnosti krútenia…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Vlastnosti" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Vlastnosti atómu" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Vlastnosti väzby" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Vlastnosti uhla" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Vlastnosti krútenia" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Vybrať podľa Zvyšku…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Výber" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Výber" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Výber" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infračervený" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "Elektrónová" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektrónová hustota" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Vytvoriť povrchy …" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Prebieha výpočet elektrónovej hustoty" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Skupina %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Spustiť animáciu" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Zastaviť animáciu" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibrácie" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Zlyhalo spustenie %1" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Vložiť fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Silové Pole:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Úspešné!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Čiastkového náboja" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Typ:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Pridať" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formát:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Použiť" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Obnoviť Všetko" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Predvolené" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Uložiť súbor…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Jednoduché Nastavenia" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Názov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Vstup GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "V:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Mnohorakosť:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "S:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "názov" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Ďaľšie" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Jednoduchý" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojitý" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Použite formulár" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metóda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Systematické vyhľadávanie rotora" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Silové Pole:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Jednoduchý" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvojitý" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Obmedzenia:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Vzhľad" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Imported Spectra:" msgstr "Importovať Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Vypočítaného spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy msgid "&Close" msgstr "Zatvoriť" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farba:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svetlý" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Vypočítať" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Typ Súradnice:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Skupiny" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Skupina:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,milboy, ,Launchpad Contributions:,Avogadro " "Team,helix84,milboy, ,Launchpad Contributions:,Avogadro " "Team,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,helix84,milboy, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Milan Slovák,Miroslav Toman,helix84, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Milan Slovák,Miroslav " "Toman,helix84, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Milan " "Slovák,Miroslav Toman,helix84" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,toman.mir@gmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,,rayiner@protonmail.com,,,,avogadro-" "devel@lists.sourceforge.net,,,rayiner@protonmail.com," #, fuzzy #~ msgid "Angles:" #~ msgstr "Uhol:" #, fuzzy #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Zrušiť" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analytický" #, fuzzy #~ msgid "&Import..." #~ msgstr "&Import..." #, fuzzy #~| msgid "Selected Colors" #~ msgid "Set Color..." #~ msgstr "Vybrané Farby..." #, fuzzy #~ msgid "&Export..." #~ msgstr "&Export..." #, fuzzy #~| msgid "Color by Partial Charge" #~ msgid "Partial Charge" #~ msgstr "Farba podľa čiastkového náboja" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animácia" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atómové číslo" #, fuzzy #~ msgid "By Distance" #~ msgstr "Vzdialenosť" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekula" #, fuzzy #~ msgid "In." #~ msgstr "V:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Zlomok..." #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Ďaľšie..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nesprávny názov súboru" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigovať" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigovať" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Názov prvku" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Všetky súbory" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&HRY" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Pridať vodíky pre pH..." #~ msgid "Atom Properties..." #~ msgstr "Vlastnosti atómu..." #~ msgid "Bond Properties..." #~ msgstr "Vlastnosti väzieb..." #~ msgid "Angle Properties..." #~ msgstr "Vlastnosti uhla..." #~ msgid "Torsion Properties..." #~ msgstr "Vlastnosti krútenia..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Vlastnosti molekuly..." #~ msgid "Insert Fragment..." #~ msgstr "Vložiť Zlomok" #~ msgid "Theory:" #~ msgstr "Teória:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Vzdialenosť (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Otočný" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Uhol %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Krútenie %1" #, fuzzy #~ msgid "Yes" #~ msgstr "Roky" #, fuzzy #~ msgid "No" #~ msgstr "Neón" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Vložiť SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Vložiť zlomky SMILES..." #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Vložiť fragment" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Vložiť fragmenty molekúl na stavbu väčších molekúl" #~ msgid "E&xtensions" #~ msgstr "R&ozšírenia" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrická optimalizácia" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Pridať vodíky" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Povrchy" #~ msgid "Color by Index" #~ msgstr "Farba podľa indexu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Farba podľa indexu (červená, oranžová, zelená, modrá, fialová)" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Farba podľa čiastkového atomového náboja (modrá = kladný, červená = " #~ "záporný)" #~ msgid "Set custom colors for objects" #~ msgstr "Nastaviť vlastné farby objektov" #~ msgid "Color by Distance" #~ msgstr "Farba podľa vzdialenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Farba podľa vzdialenosti od prvého atómu." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farba podľa prvku (uhlík = šedá, kyslík = červená, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Farba podľa zvyšku (typ aminokyselín, hydrofobicita, ..." #~ msgid "Highlight Color:" #~ msgstr "Zvýrazniť farbu" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Farba podľa SMARTS vzoru" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Axes" #~ msgstr "Osy" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Vykreslí jednoducho pomocou guľôčok (atómy) a tyčiniek (väzby)" #~ msgid "Hydrogen Bond" #~ msgstr "Vodíkové väzby" #~ msgid "Renders hydrogen bonds" #~ msgstr "Vykresliť vodíkové väzby" #~ msgid "Polygon" #~ msgstr "Mnohouholník" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Vykresľuje atómy ako štvorsteny, osemsteny a ďalšie mnohouholníky" #~ msgid "Ring" #~ msgstr "Kruh" #~ msgid "Renders rings with colored planes" #~ msgstr "Vykreslí kruhy s farebnými rovinami" #~ msgid "Simple Wireframe" #~ msgstr "Jednoduchý drôtený model" #~ msgid "Stick" #~ msgstr "Tyčinka" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Trajectory files" #~ msgstr "Súbory trajektórie" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Pridávanie prípony .avi" #~ msgid "Animation..." #~ msgstr "Animácia..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Nie je možné prečítať formát súboru %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Čítanie súboru trajektórie %1 zlyhalo." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Musíte zadať platný názov .avi súboru" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Ovládací prvok grafickej knižnice nebol správne inicializovaný aby bolo " #~ "možné uložiť video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Neplatný názov video súboru. Musí obsahovať úplnú cestu" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Neplatný názov video súboru. Musí obsahovať úplnú cestu a názov končiaci " #~ "na .avi" #~ msgid "Cartesian Editor..." #~ msgstr "Karteziánsky editor..." #~ msgid "Cartesian editor" #~ msgstr "Karteziánsky editor" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Počet rotačných väzieb: %1" #~ msgid "Add constraint" #~ msgstr "Pridať obmedzenie" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie väzby" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie uhla" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie uhla krútenia" #~ msgid "&Length Unit" #~ msgstr "%Dĺžka jednotky" #~ msgid "&Angle Unit" #~ msgstr "%Jednotka uhlu" #~ msgid "Trajectory..." #~ msgstr "Trajektória..." #~ msgid "Open chemical file format" #~ msgstr "Otvoriť formát chemického súboru" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemické súbory (*.xyz)" #~ msgid "Import Trajectory" #~ msgstr "Import trajektórie" #~ msgid "Import trajectory files" #~ msgstr "Import súborov trajektórie" #~ msgid "Calculate Energy" #~ msgstr "Vypočítať energiu" #~ msgid "Constraints..." #~ msgstr "Obmedzenia..." #~ msgid "ForceField" #~ msgstr "SilovéPole" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimalizácia a generovanie prispôsobenia molekúl pomocou molekulárnej " #~ "mechaniky silových polí" #~ msgid "Common vector image formats" #~ msgstr "Bežné vektorové formáty" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "H to Methyl" #~ msgstr "H na metyl" #~ msgid "H2Methyl" #~ msgstr "H na metyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformácia vodíkov na metylové skupiny" #~ msgid "Add or remove hydrogens" #~ msgstr "Pridať alebo odstrániť vodíky" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "PDB Entry" #~ msgstr "Záznam PDB" #~ msgid "PDB entry to download." #~ msgstr "Záznam PDB na stiahnutie." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekuly na stiahnutie." #~ msgid "Fetch molecule files over the network." #~ msgstr "Získať súbory molekúl prostredníctvom siete." #~ msgid "Show Preview" #~ msgstr "Zobraziť náhľad" #~ msgid "Hide Preview" #~ msgstr "Skryť náhľad" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Súbory obrázkov (*.png *.pbm)" #~ msgid "No valid filename was supplied." #~ msgstr "Nezadaný platný názov súboru." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nedá sa zapisovať do súboru %1. Máte oprávnenie zapisovať do tohto miesta?" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Zlyhalo spustenie POV-Ray. Cesta k spustiteľnému súboru nie je správne " #~ "nastavená." #~ msgid "Python Terminal" #~ msgstr "Python Terminál" #~ msgid "QM Matches" #~ msgstr "QM Zhoda" #~ msgid "You must make a selection!" #~ msgstr "Musíte vybrať!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Konverzia nie je k dispozícii" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Konverzia formátu nie je k dispozícii!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Vytvorenie vstupných súborov pre balík kvantovej chémie GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Pokročilé nastavenia zmenené" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Pokročilé nastavenia boli zmenené.\n" #~ "Zahodiť?" #~ msgid "Advanced Settings Reset" #~ msgstr "Obnovenie pokročilých nastavení" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ste si istý že chcete vymazať pokročilé nastavenia?\n" #~ "Všetky zmeny sa stratia!" #~ msgid "Basic Settings Reset" #~ msgstr "Obnovenie základných nastavení" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ste si istý že chcete vymazať základné nastavenia?\n" #~ "Všetky zmeny sa stratia!" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC je už spustený. Počkajte, kým skončí predchádzajúci výpočet." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC nie je nainštalovaný." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Spustiteľný súbor MOPAC sa nenašiel." #~ msgid "Running MOPAC calculation..." #~ msgstr "Prebiehajú výpočty MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC havaroval." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC nefunguje správne. Možno nie je správne nainštalovaný." #~ msgid "Add Named Selection..." #~ msgstr "Pridať Pomenovaný výber..." #~ msgid "Name cannot be empty." #~ msgstr "Názov nesmie byť prázdny." #~ msgid "There is already a selection with this name." #~ msgstr "V súčasnosti už existuje výber s týmto názvom." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Výber atómov, väzieb, zvyškov..." #~ msgid "No intensities" #~ msgstr "Žiadna intenzita" #~ msgid "X Axis" #~ msgstr "Osa X" #~ msgid "Y Axis" #~ msgstr "Osa Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Nastavenie &Infračerveného Spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Nastavenie Spektra" #~ msgid "Dark" #~ msgstr "Tmavý" #~ msgid "Publication" #~ msgstr "Uverejnenie" #~ msgid "Handdrawn" #~ msgstr "Ručné kreslenie" #~ msgid "New Scheme" #~ msgstr "Nová schéma" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potvrdenie odstránenia schémy" #~ msgid "Really remove current scheme?" #~ msgstr "Skutočne odstrániť aktuálnu schému?" #~ msgid "Enter new name for current scheme:" #~ msgstr "Vložte nový názov pre schému:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Hodnoty oddelené tabulátorom (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Hodnoty oddelené tabulátorom" #~ msgid "Data Format" #~ msgstr "Formát dát" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formát:" #~ msgid "Load Spectral Data" #~ msgstr "Načítať spektrálne údaje" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Prenosná Pixmapa" #~ msgid "X11 Bitmap" #~ msgstr "Bitmapa X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmapa X11" #~ msgid "Save Spectra Image" #~ msgstr "Uložiť obrázok Spectra" #~ msgid "Orbitals" #~ msgstr "Orbitály" #~ msgid "Calculating VdW Cube" #~ msgstr "Prebieha výpočet VdW kocky" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Prebieha výpočet MO %L1" #~ msgid "GL widget has no molecule" #~ msgstr "Ovládací prvok grafickej knižnice nemá molekulu" #~ msgid "Building video " #~ msgstr "Vytvára sa video " #~ msgid "Could not run mencoder." #~ msgstr "Nemožno spustiť mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Nastaviť pomer strán" #~ msgid "Connect" #~ msgstr "Pripojiť" #~ msgid "Disconnect" #~ msgstr "Odpojiť" #~ msgid "Debug Information" #~ msgstr "Ladiace informácie" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Zobrazenie veľkosti: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atómy: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Súbor typu '%1' nie je podporovaný pre čítanie." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Súbor typu pre súbor '%1' nie je podporovaný pre čítanie." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgid " - no module" #~ msgstr " - žiaden modul" #~ msgid "Unknown Python Extension" #~ msgstr "Neznáme Python Rozšírenie" #~ msgid "PythonExtension: checking " #~ msgstr "PythonRozšírenie: kontrolovanie " #~ msgid "Unknown Python Tool" #~ msgstr "Neznáme PythonNástroje" #~ msgid "PythonTool: checking " #~ msgstr "PythonNástroje: kontrolovanie " #~ msgid "Tools" #~ msgstr "Nástroje" #~ msgid "Align:" #~ msgstr "Zarovnať:" #~ msgid "Everything" #~ msgstr "Všetko" #~ msgid "Algorithm:" #~ msgstr "Algoritmy" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekulárna Dynamika (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Pevné atómy sú pohyblivé" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorované atómy sú pohyblivé" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatická optimalizácia geometrie molekuly" #~ msgid "AutoOptimization Settings" #~ msgstr "AutomatickáOptimalizácia Nastavenia" #~ msgid "Auto Rotation Tool" #~ msgstr "Nástroje pre Atomatické Otáčanie" #~ msgid "x rotation:" #~ msgstr "x otáčanie:" #~ msgid "x rotation" #~ msgstr "x otáčanie" #~ msgid "y rotation:" #~ msgstr "y otáčanie:" #~ msgid "y rotation" #~ msgstr "y otáčanie" #~ msgid "z rotation:" #~ msgstr "z otáčanie:" #~ msgid "z rotation" #~ msgstr "z otáčanie" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatické otáčanie molekúl" #~ msgid "AutoRotate Settings" #~ msgstr "Nastavenie Automatického Otáčania" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Dĺžka Väzby: %L1" #~ msgid " Show Angles" #~ msgstr " Zobraziť Uholníky" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Vzdialenosť (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Vzdialenosť (3->4): %L1 %2" #~ msgid "Distance(s):" #~ msgstr "Vzdialenosť(i):" #~ msgid "Draw Bond" #~ msgstr "Kresliť Väzby" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Kresliť a upraviť atómy a väzby" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Preložiť, otočiť a nastaviť atómy a úlomky" #~ msgid "Manipulate Settings" #~ msgstr "Nastavenie Manipulácie" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Preložiť, otáčať, a približovať okolo aktuálneho pohľadu" #~ msgid "Navigate Settings" #~ msgstr "Nastavenie Navigácie" #~ msgid "Atom/Bond" #~ msgstr "Atóm/Väzba" #~ msgid "Residue" #~ msgstr "Zvyšok" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vyber atómy, zvyšky a molekuly" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Hydrophobicity" #~ msgstr "Hydrofóbia" #~ msgid "Atom Radius:" #~ msgstr "Radius Atómu:" #~ msgid "Bond Radius:" #~ msgstr "Radius Väzby:" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Slučka" #~ msgid "Dipole:" #~ msgstr "Dipól:" #~ msgid "Radius:" #~ msgstr "Rádius:" #~ msgid "Include Nitrogens" #~ msgstr "Zahrnúť Vodíky" #~ msgid "Positive" #~ msgstr "Pozitívne" #~ msgid "Negative" #~ msgstr "Negatívne" #~ msgid "Show Atoms" #~ msgstr "Zobraziť Atómy" #~ msgid "Animate Trajectory" #~ msgstr "Animovať Trajektórie" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Save as .avi..." #~ msgstr "Uložiť ako .avi..." #~ msgid "Ignore Atom" #~ msgstr "Ignorovať Atóm" #~ msgid "Fix Atom" #~ msgstr "Opraviť atóm" #~ msgid "Fix Atom X" #~ msgstr "Opraviť atóm X" #~ msgid "Fix Atom Y" #~ msgstr "Opraviť atóm Y" #~ msgid "Fix Atom Z" #~ msgstr "Opraviť atóm Z" #~ msgid "Save" #~ msgstr "Ulož" #~ msgid "Load" #~ msgstr "Načítať" #~ msgid "All" #~ msgstr "Všetko" #~ msgid "Setup Force Field" #~ msgstr "Nastaviť Silové Pole" #~ msgid "Algorithm" #~ msgstr "Algoritmus" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Pokročilé" #~ msgid "Grid" #~ msgstr "Mriežka" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EFP Matches" #~ msgstr "EFP Výsledky" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Pokročilé Nastavenia" #~ msgid "System" #~ msgstr "Systém" #~ msgid "MO Guess" #~ msgstr "MO Odhad" #~ msgid "Read" #~ msgstr "Čítať" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Typ:" #~ msgid "Default" #~ msgstr "Predvolené" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterácia:" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Finite Electric Field" #~ msgstr "Obmedzené Elektrické Pole" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Celková Optimalizácia" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimalizácia" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Žiadny (CI)" #~ msgid "SCF Type:" #~ msgstr "Typ SCF:" #~ msgid "Localization Method:" #~ msgstr "Lokalizačná Metóda" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "General CI" #~ msgstr "Všeobecné CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Spustiť Normálne" #~ msgid "Check" #~ msgstr "Kontrola" #~ msgid "Debug" #~ msgstr "Ladenie" #~ msgid "Use MP2" #~ msgstr "Použiť MP2" #~ msgid "Use DFT" #~ msgstr "Použiť DFT" #~ msgid "Order of Principal Axis:" #~ msgstr "Poradie Hlavnej Osi" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Hilderbrant internals" #~ msgstr "Vnútorný Hilderbrant" #~ msgid "Point Group:" #~ msgstr "Bod Skupiny:" #~ msgid "Minutes" #~ msgstr "Minúty" #~ msgid "Hours" #~ msgstr "Hodiny" #~ msgid "Days" #~ msgstr "Dni" #~ msgid "Weeks" #~ msgstr "Týždne" #~ msgid "Millenia" #~ msgstr "Tisícročia" #~ msgid "MegaBytes" #~ msgstr "MegaByty" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "Memory:" #~ msgstr "Pamäť:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalizačná Metóda:" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Použite External Data Representation pre Správy" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Uložené (DICTNRY)" #~ msgid "Skip" #~ msgstr "Preskočiť" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Rozhranie pre Iné Kódy" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Verzia)" #~ msgid "Grid-Free" #~ msgstr "Voľná-Mriežka" #~ msgid "words" #~ msgstr "slová" #~ msgid "# of Core Electrons:" #~ msgstr "# z Jadra Elektrónov:" #~ msgid "Segmented Transformation" #~ msgstr "Segmentovaná Transformácia" #~ msgid "Numeric" #~ msgstr "Číselný" #~ msgid "Displacement Size:" #~ msgstr "Presunutá Veľkosť:" #~ msgid "Read (from $HESS)" #~ msgstr "Čítať (z $HESS)" #~ msgid "Update Step Size" #~ msgstr "Aktualizovať Veľkosť Kroku" #~ msgid "Stationary Point" #~ msgstr "Stacionárny bod" #~ msgid "Initial:" #~ msgstr "Východiskový" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratická Aproximatizácia" #~ msgid "Constrained Optimization" #~ msgstr "Obmedzená Optimalizácia" #~ msgid "Follow Mode:" #~ msgstr "Dodržiavajte režim:" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Štandard" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" OpenChemistry-avogadrolibs-ceb949f/i18n/sl.po000066400000000000000000013124111516317240700212320ustar00rootroot00000000000000# Slovenian translation for avogadro. # Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 # This file is distributed under the same license as the avogadro package. # # Matej Urbančič , 2012. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Slovenian \n" "Language: sl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=4; plural=n%100==1 ? 0 : n%100==2 ? 1 : n%100==3 || " "n%100==4 ? 2 : 3;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" "X-Poedit-Country: SLOVENIA\n" "X-Poedit-Language: Slovenian\n" "X-Poedit-SourceCharset: utf-8\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Ustvarjalnik skriptov" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Nadaljuj" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Zapri" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "nepoznano" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vodik" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "helij" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "litij" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "berilij" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "ogljik" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "dušik" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "kisik" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "natrij" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "magnezij" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "aluminij" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "silicij" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "žveplo" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "kalij" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "kalcij" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "skandij" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "vanadij" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "nikelj" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "baker" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "cink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "galij" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "germanij" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "arzen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "rubidij" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "stroncij" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "itrij" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "cirkonij" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "niobij" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "tehnecij" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "rutenij" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "rodij" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "paladij" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "srebro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "kadmij" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "indij" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "kositer" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "telur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "cezij" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "barij" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "cerij" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "prazeodim" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "neodim" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "prometij" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "samarij" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "evropij" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "gadolinij" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "terbij" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "disprozij" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "holmij" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "erbij" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "tulij" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "iterbij" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "lutecij" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "hafnij" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "volfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "renij" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "osmij" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "iridij" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "zlato" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "živo srebro" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "talij" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "svinec" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "polonij" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "francij" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "radij" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "aktinij" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "torij" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "protaktinij" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "neptunij" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "plutonij" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "americij" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "kirij" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "berkelij" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "kalifornij" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "ajnštajnij" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "fermij" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "mendelevij" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "nobelij" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "lavrencij" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "ruterfordij" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "dubnij" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "siborgij" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "borij" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "hasij" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "mejtnerij" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "darmstadij" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "rutenij" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "kopernicij" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "nihonij" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "flerovij" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "moskovij" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorij" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "tenes" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "oganeson" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Prebrskaj" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Vse Datoteke" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Teorija" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Osnova" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Naboj" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Mnogokratnik" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[ni molekule]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kroglice in palice" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Sile" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Oznaka" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površine" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waalsovi radii" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waalsovi (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žični model" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 #, fuzzy msgid "Untitled" msgstr "neimenovano" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodni sistem elementov" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Dodaj atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Odstrani atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Samodejno dodaj vodike" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Spremeni element" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Spremeni element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Dodaj vez" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Izbriši vezi" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Spremeni vrsto vezi" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "Odstrani osnovno celico" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Združi atome v celico" #: qtgui/rwmolecule.cpp:580 #, fuzzy msgid "Scale Cell Volume" msgstr "Prilagodi prostornino osnovne celice" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Zavrti na običajno usmerjenost" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 #, fuzzy msgid "Reduce to Primitive" msgstr "Zmanjšaj na primitivno celico" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Zapolni osnovno celico" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Zmanjšaj na asimetrično enoto" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Nastavitve" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "Izvozi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Izgradnja" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Poravnava" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Poravnava molekul\n" "\n" "Levi gumb miške:\tIzbor do dveh atomov.\n" "\tPrvi izbran atom je postavljen v izhodiščno točko.\n" "\tDrugi izbran atom je poravnan na izbrano os.\n" "Desni klik miške:\tPočisti poravnavo.\n" "Dvojni klik:\tPostavi atom v izhodiščno točko." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Os:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 #, fuzzy msgid "Center the atom at the origin." msgstr "izbrani atomi v središče osnovne celice." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Poravnaj molekule na kartezijsko os" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Odpri datoteko…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Napaka" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Napaka" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Uspešno končano" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Barva po meri…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Delni naboj…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "sekundarno strukturo" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Aminokisline" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Spektri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Pogled" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Barva po ostanku" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Prilagajanje" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Način:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Začni" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Zaustavi" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Prilagodi geometrijo" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekularna dinamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Pokaži večkratne vezi" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Premeščanje in spreminjanje vezi" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Orodje za spreminjanje atomov in vezi\t(%1)\n" "\n" "Levi gumb miške:\tS klikom in vlečenjem se zavrti pogled.\n" "Srednji gumb miške:\tS klikom in vlečenjem se predmet približa ali oddalji.\n" "Desni gumb miške:\tS klikom in vlečenjem se pogled premakne.\n" "Dvojni klik:\tPočisti pogled.\n" "\n" "Levi klik in poteg na vezi nastavi ravnino\n" "Levi klik in poteg atoma na vezi spremeni kot\n" "Desni klik in poteg atoma na vezi spremeni dolžino" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Premeščanje in spreminjanje vezi." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Ali naj bodo vezi zaznane" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Vez" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "Ali naj bodo vezi zaznane." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Hrbtišče" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Trakovi" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Dodaj središče mase" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Razširitve" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Skripti" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Drugo…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Kot" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Vrsta" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Urejevalnik koordinat…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Urejevalnik koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atomski indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Številka atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Po meri" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Skript Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "Kopiraj" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Izbriši" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Prilagajanje geometrije" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekularna mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "BREZ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugiranje gradientov" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Strmo nižanje" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Uvozi krstalno mrežo iz odložišča …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Dodaj osnovno celico …" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Združi atome v celico" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Zavrti na &običajno usmerjenost" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Prolagajanje celice na &prostornino …" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Zmanjšaj celico (&Nigglijev algoritem)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Odstrani osnovno &celico" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Dodaj &osnovno celico" #: qtplugins/crystal/crystal.cpp:169 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Uvozi krstalno mrežo iz odložišča" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Združi atome v osnovno celico." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 #, fuzzy msgid "The unit cell is already reduced." msgstr "Osnovna celica je že zmanjšana." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Ni mogoče razčleniti besedila" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolni moment" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Nariši" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Orodje risanja\t(%1)\n" "\n" "Levi gumb miške:\tS klikom in vlečenjem se izrišejo atomi in vezi\n" "Desni klik miške:\tIzbriše atom" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Nariši atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Razdalja:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Enojna" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dvojna" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trojna" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "Uvozi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Pridobi iz zbirke PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Kemijska strukture za prejem s strežnika." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Zahteva omrežja je časovno potekla ali pa se je pojavila druga napaka." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Navedene molekule ni mogoče najti: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Pridobi iz zbirke PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Nastavitev …" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Prilagajanje polja sil" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Skript GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Točkovna energija" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometrija ravnovesja" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Prehodno stanje" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekvence" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Ustvari EPF" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Jedrni potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Brez" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "plinastem stanju" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "vodi" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "duplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "nevtralno" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Samodejno dodaj vodike" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Dodaj vodike" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Odstrani vodike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Vodiki" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodiki" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Vstavi" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Vstavi DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Vstavi DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristal …" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Uvozi kristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Vstavi molekulski delec" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Vstavi molekulski delec" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Vstavljanje molekulskih delcev za izgradnjo večjih molekul." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Barva:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Edinstven ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Oznake atomov:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 #, fuzzy msgid "Residue Label:" msgstr "Oznake preostanka:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " "predogleda skripta Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Prekrivnost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES …" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Premeščanje in spreminjanje" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Orodje za premeščanje in spreminjanje\t(%1)\n" "\n" "Levi gumb miške:\tS klikom in vlečenjem je mogoče premikati atome\n" "Desni gumb miške:\tS klikom in vlečenjem je mogoče vrteti izbrane atome." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Izmeri" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Dihedralni kot:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Kot:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekulska…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Lastnosti" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Lastnosti molekule" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Lastnosti molekule" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "Datoteke CSV (*.csv);;Vse datoteke (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Datoteke ni mogoče odpreti za pisanje." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Izvozi…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "KrmarjenjeSkok navzgor" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Orodje za krmarjenje\t(%1)\n" "\n" "Levi gumb miške:\tS klikom in vlečenjem se pogled zavrti.\n" "Srednji gumb miške:\tS klikom in vlečenjem se predmet približa ali oddalji.\n" "Desni gumb miške:\tS klikom je mogoče povleči in premakniti pogled." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Ime kemijske strukture" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Nastavitev polja sil …" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Iskanje konformer …" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "Ali naj bodo vezi zaznane" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj vodike do vrednosti pH …" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Odstrani vodike" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Prilagodi geometrijo (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Datoteka trajektorij %1 ni skladna s številom atomov v trenutni molekuli " "(%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj vodike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj vodike do vrednosti pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstrani vodike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " "predogleda skripta OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" msgstr[3] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Stanje" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Ustvarjalnik skriptov" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 #, fuzzy msgid "Frame:" msgstr "Sličice:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Dinamične vezi" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Premor" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "datoteke posnetkov (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Shrani datoteko" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Valenca" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Formalni naboj" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Barva" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Začetni atom" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Končni atom" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Vrsta vezi" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Dolžina (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Kot (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Heliks 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Lastnosti atomov…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Lastnosti vezi…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Lastnosti kotov…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Lastnosti torzije…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Okna za prikaz lastnosti atomov, vezi, kotov in drugih podatkov." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Lastnosti" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Lastnosti atomov" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Lastnosti vezi" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Lastnosti kotov" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Lastnosti torzije" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Lastnosti konformere" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Izriše predmete z lastnostmi QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Atomski nabo …" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Odpri datoteko WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Datoteke WFN (*.wfn);;Vse datoteke (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Razširitev QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Izbor po elementu …" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Izbor po ostanku …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Izberi" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Izbor elementu" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Izbor ostanku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Izberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Izbor" #: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Orodje za izbiranje\t(%1)\n" "\n" "Levi gumb miške:\tS klikom se izbere posamezne atome, preostanke ali " "molekulske delce\n" "\tS sočasnim potegom se izbere polje predmetov.\n" "Desni gumb miške:\tS klikom izven področja predmeta se izbor počisti\n" "Z uporabo Ctrl je mogoče preklopiti izbor, s tipko Shift pa dodati k " "izbiri.\n" "Dvojni klik:\tIzbor celotnega molekulskega delca." #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Začetni atom" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Zaznaj prostorsko skupino …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Zmanjšaj na asimetrično enoto" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Zapolni osnovno celico …" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "Space Group" msgstr "Prostorska skupina" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Zaznavanje prostroske skupine je spodletelo.\n" "Ali želite poskusiti znova z drugačno nastavitvijo tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Mednarodno" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 #, fuzzy msgid "Select Space Group" msgstr "Izbor prostorske skupine" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Prostorska skupina" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektri" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Infrardeče" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Ramanski" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Gostote stanj (DOS)" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Nastavi barvo ozadja" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Nastavi barvo pisave" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Izbor izračunane barve spektra" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Izbor uvožene barve spektra" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Valovno število (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Ramanski spektra" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 #, fuzzy msgid "Intensity" msgstr "Intenzitete" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "NMR Spektri" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Premik (v ppm)" #: qtplugins/spectra/spectradialog.cpp:818 #, fuzzy msgid "Electronic Spectra" msgstr "Elektronska Spektra" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Energija (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Slog:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetrija" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulska orbitala" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronska gostota" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Ustvari površine…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Izračunavanje elektronske gostote" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetrija …" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Skupina %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Začni animacijo" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Zaustavi animacijo" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibracija" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Zagon programnika %1 je spodletel" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Pogovorno okno" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Obrazec" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Vstavi molekulski delec…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Z vpisom imena ali dela imena se pokažejo filtrirani zadetki." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Vstavi" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje sil:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspešno končano!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Delni naboj" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Dodajanje omejitev" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Vrsta:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Dodaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "V redu" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Oblika:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "Počisti" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Uveljavi" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Ponastavi vse" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Privzeto" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Shrani datoteko …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Osnovna &nastavitve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Izračunaj:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Možnosti supercelice" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ponovitev A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ponovitev B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ponovitev C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Uporabi" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Skrij" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Prilagodi prostornino osnovne celice" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Oznaka besedila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Vrsta vezi:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Skript GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "V:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Večkratnost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Z:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naboj:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ime" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Vstavi nikleinske kisline" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Izgrajevalnik DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleinske kisline:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Gvanineđ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Zaporedje:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "število baznih parov na obrat vijačnice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Drugo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Število baz na obrat:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Enojna" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojna" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Alanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Asparaginska kislina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cistein" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutaminska kislina" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glicin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Izoleucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Valin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Tirozin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prolin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Fenilalanine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Metionin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lizin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Zaporedje (v smeri N -> C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Stereokemija:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N konec:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C konec:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Zgradba:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Ravna veriga" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Številka verige:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Številka verige novega peptida" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Slog atomov" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "kot" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "vez" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "naboj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "polno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "vrstica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Mere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Meja" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Podvoji" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) #, fuzzy msgid "Replicate the X direction." msgstr "Podvoji v osi X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) #, fuzzy msgid "Replicate the Y direction." msgstr "Podvoji v osi Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) #, fuzzy msgid "Replicate the Z direction." msgstr "Podvoji v osi Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Začetne hitrosti" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Enovrstično" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Večvrstično" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Uporabi obrazec" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Preslikaj po:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Zavrti okoli:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Izvor" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Os X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Os Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "osi Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Iskanje konformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Način" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Število konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematično iskanje vrtljivih vezi" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Naključno iskanje vrtljivih vezi" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Uteženo iskanje vrtljivih vezi" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Iskanje z genetskim algoritmom" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Možnosti genetskega algoritma" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Podrejeni:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Mutabilnost:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy msgid "Scoring method:" msgstr "Način ocenjevanja:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Strmo nižanje" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Polje sil:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Sklic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enojna" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvojna" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Omejitve:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Skupna energija" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Valovna dolžina:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radij kritične točke:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radij poti vezi:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentnost" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstantna velikost" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Faktor merila:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Videz" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Uvoženi merjeni podatki spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Pokaži" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Uvozi datoteko tsv eksperimentalnih spektroskopskih podatkov za prekrivanje " "izrisa." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Ozadje:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "Izračunanih spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Izvozi podatke" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zapri" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Upravljanje:\n" "Dvojni levi klik: obnovi privzete meje osi\n" "Desni klik + poteg: premakne izris\n" "Srednji klik + poteg: približa območje\n" "Drsni gumb: približa mesto pod kazalko" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kakovost: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Nizka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Zelo visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Ustvari površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Barva:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Elektrostatski potencial" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Ločljivost:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Vrednost izo-površine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svetla" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Odstopanje:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tesno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Običajno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Prosto" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Formalni naboj:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "linearna" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "linearna" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "iz odložišča" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Skupine" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Skupine:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplituda:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Grega P,Matej Urbančič, ,Launchpad " "Contributions:,Grega P,Matej Urbančič, ,Launchpad Contributions:,Grega " "P,Matej Urbančič, ,Launchpad Contributions:,Grega P,Matej Urbančič" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org" #~ msgid " Å" #~ msgstr " Å" #, fuzzy #~ msgid "Angles:" #~ msgstr "Kot:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Prekliči" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr "eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(na čakanju)" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Okna za prikaz lastnosti atomov, vezi, kotov in drugih podatkov." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Poravnava molekul\n" #~ "\n" #~ "Levi gumb miške: \tIzbor do dveh atomov.\n" #~ "\tPrvi izbran atom je postavljen v izhodiščno točko.\n" #~ "\tDrugi izbran atom je poravnan na izbrano os.\n" #~ "Desni klik miške: \tPočisti poravnavo.\n" #~ "Dvojni klik: \tPostavi atom v izhodiščno točko." #, fuzzy #~ msgid "&Analysis" #~ msgstr "&Analitično" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Uvozi ..." #~ msgid "Set Color..." #~ msgstr "Nastavi barvo ..." #~ msgid "&Export..." #~ msgstr "&Izvozi ..." #~ msgid "&Load data..." #~ msgstr "&Naloži podatke ..." #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Delni naboj" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Orodje za spreminjanje atomov in vezi\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem se zavrti pogled.\n" #~ "Srednji gumb miške: S klikom in vlečenjem se predmet približa ali " #~ "oddalji.\n" #~ "Desni gumb miške: \tS klikom in vlečenjem se pogled premakne.\n" #~ "Dvojni klik: \tPočisti pogled.\n" #~ "\n" #~ "Levi klik in poteg na vezi nastavi ravnino\n" #~ "Levi klik in poteg atoma na vezi spremeni kot\n" #~ "Desni klik in poteg atoma na vezi spremeni dolžino" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Orodje risanja (F8)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem se izrišejo atomi in vezi\n" #~ "Desni klik miške: \tIzbriše atom" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Izmera dolžin (F12)\n" #~ "\n" #~ "Levi gumb miške: \tIzbor do treh atomov.\n" #~ "\tRazdalje se izmerijo med atomoma 1-2 in 2-3\n" #~ "\tIzmerjeni kot določa kot med 1-3, pri čemer je drugi atom stičišče " #~ "daljic\n" #~ "Desni gumb miške: \tPočisti izmere. Dvojni klik: \tPočisti pogled." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Orodje za krmarjenje (F9)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem se pogled zavrti.\n" #~ "Srednji gumb miške: S klikom in vlečenjem se predmet približa ali " #~ "oddalji.\n" #~ "Desni gumb miške: \tS klikom je mogoče povleči in premakniti pogled.\n" #~ "Dvojni klik: \tPonastavi pogled." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacija" # Orodje za krmarjenje (F9)\n # \n # Levi gumb miške: \tS klikom in vlečenjem se pogled zavrti.\n # Srednji gumb miške: S klikom se predmet približa ali oddalji.\n # Desni gumb miške: \tS klikom je mogoče povleči im premakniti pogled.\n # Dvojni klik: \tPonastavi pogled. #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Orodje za izbiranje (F11)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom se izbere posamezne atome, preostanke ali " #~ "molekulske delce\n" #~ "\tS sočasnim potegom se izbere polje predmetov.\n" #~ "Desni gumb miške: \tS klikom izven področja predmeta se izbor počisti\n" #~ "Z uporabo Ctrl je mogoče preklopiti izbor, s tipko Shift pa dodati k " #~ "izbiri.\n" #~ "Dvojni klik: \tIzbor celotnega molekulskega delca." #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Orodje za premeščanje in spreminjanje (F10)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem je mogoče premikati atome\n" #~ "Srednji gumb miške: S klikom in vlečenjem je mogoče atome približati ali " #~ "oddaljiti\n" #~ "Desni gumb miške: \t Sklikom in vlečenjem je mogoče vrteti izbrane " #~ "atome.\n" #~ "Dvojni klik: \tPočisti pogled." #~ msgid "Geometry" #~ msgstr "Geometrija" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Dodaj &osnovno celico" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomski indeksi" #, fuzzy #~ msgid "By Distance" #~ msgstr "Razdalja" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomski indeksi" #, fuzzy #~ msgid "&Copy" #~ msgstr "Kopiraj vse" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Ime po IUPAC-u:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulska masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Število atomov:" #~ msgid "Number of Bonds:" #~ msgstr "Število vezi:" #~ msgid "TODO" #~ msgstr "CILJI" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Velikost skoka:" #, fuzzy #~ msgid "In." #~ msgstr "V:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Molekulski delci ..." #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "DFT Functional" #~ msgid "Other..." #~ msgstr "Drugo ..." #, fuzzy #~ msgid "Filename" #~ msgstr "Ime datoteke:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Naloži datoteko" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "KrmarjenjeSkok navzgor" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "KrmarjenjeSkok navzgor" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Ime elementa" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Vse datoteke" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboedrični" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Ni nastavljene molekule" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK ..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristal ..." #~ msgid "SMILES..." #~ msgstr "SMILES ..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj vodike do pH ..." #~ msgid "Atom Properties..." #~ msgstr "Lastnosti atoma ..." #~ msgid "Bond Properties..." #~ msgstr "Lastnosti vezi ..." #~ msgid "Angle Properties..." #~ msgstr "Lastnosti kotov ..." #~ msgid "Torsion Properties..." #~ msgstr "Lastnosti torzije ..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Lastnosti molekule ..." #~ msgid "Create Surfaces..." #~ msgstr "Ustvari površine ..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetrija" #~ msgid "Insert Fragment..." #~ msgstr "Vstavi molekulski delec ..." #~ msgid "Theory:" #~ msgstr "Teorija:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Razdalja (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Vrtljivo" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformera %1\n" #~ "Dolžina %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformera %1\n" #~ "Kot %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Kot %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformera %1\n" #~ "Torzija %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torzija %1" #~ msgid "Torsion" #~ msgstr "Torzija" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energija (kJ/mol)" #~ msgid "Yes" #~ msgstr "Da" #~ msgid "No" #~ msgstr "Ne" #, fuzzy #~ msgid "Import" #~ msgstr "Uvozi" #~ msgid "Insert SMILES" #~ msgstr "Vstavi SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Vstavi molekulski delec SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Vstavi kristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Vstavljanje molekulskih delcev za izgradnjo večjih molekul" #~ msgid "E&xtensions" #~ msgstr "&Pripone" #~ msgid "Symmetry Properties..." #~ msgstr "Lastnosti simetrije ..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Prilagodi geometrijo" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Prilagajanje geometrije" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Dodaj vodike" #, fuzzy #~ msgid "Stopped" #~ msgstr "Zaustavi" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Površine" #~ msgid "Color by Index" #~ msgstr "Barva po ordinalnem številu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Barva po ordinalnem številu (rdeča, oranžna, rumena, zelena, modra, " #~ "vijolična)." #~ msgid "Color by Partial Charge" #~ msgstr "Barva po delnem naboju" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Barva po delnem atomskem naboju (modra = pozitivno, rdeča = negativno)." #~ msgid "Custom Color:" #~ msgstr "Barva po meri:" #~ msgid "Set custom colors for objects" #~ msgstr "Določitev barv po meri za predmete" #~ msgid "Color by Distance" #~ msgstr "Barva po oddaljenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Barva po oddaljenosti od prvega atoma" #~ msgid "Color by Element" #~ msgstr "Barva po elementih" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Barva po elementu (ogljik = siv, kisik = rdeč ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Barva po ostanku (vrsta aminokisline, hidrofobnost ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Vzorec SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Barva poudarka:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Barva po vzorcu SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Poudari posebne lastnosti, ki so skladne z vzorcem SMARTS." #~ msgid "Ununtrium" #~ msgstr "ununtrij" #~ msgid "Ununpentium" #~ msgstr "ununpentij" #~ msgid "Ununseptium" #~ msgstr "ununseptij" #~ msgid "Ununoctium" #~ msgstr "ununoktij" #~ msgid "Engines" #~ msgstr "Programniki" #~ msgid "Axes" #~ msgstr "Osi" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Izriše osi x, y in z ob viru" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Izriše predmete kot kroglice (atome) in palice (vezi)" #~ msgid "Dipole" #~ msgstr "Dipol" #~ msgid "Hydrogen Bond" #~ msgstr "Vodikove vezi" #~ msgid "Renders hydrogen bonds" #~ msgstr "Izriše vodikove vezi" #~ msgid "Select Atom Labels Color" #~ msgstr "Izbor barve oznake atoma" #~ msgid "Select Bond Labels Color" #~ msgstr "Izbor barve oznake vezi" #~ msgid "Select Bond Labels Font" #~ msgstr "Izbor pisave oznake vezi" #~ msgid "Polygon" #~ msgstr "Mnogokotnik" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "" #~ "Izriše atome v tetraedrično, oktaedrično oziroma z drugimi mnogokotniki." #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Izriše skelet proteina s trakovi" #~ msgid "Ring" #~ msgstr "Obroči" #~ msgid "Renders rings with colored planes" #~ msgstr "Izriše obroče v barvnih ravninah" #~ msgid "Simple Wireframe" #~ msgstr "Enostavno žično ogrodje" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Izriše vezi kot žično ogrodje (črte)" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsovi radii" #~ msgid "Stick" #~ msgstr "Paličice" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektronska gostota, izo-površina = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, izo-površina = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Izriše vezi kot črte, kar je koristno pri velikih molekulah" #~ msgid "Trajectory files" #~ msgstr "Datoteke trajektorij" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Datoteke zgodovine DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Odpri datoteko trajektorij" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Dodajanje pripone .avi" #~ msgid "Animation..." #~ msgstr "Animiranje ..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Ni mogoče prebrati datoteke zapisa %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Branje podatkov iz datoteke trajektorij %1 je spodletelo." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Navesti je treba veljavno datoteko .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Gradnik GL ni uspešno začet za shranjevanje posnetka." #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Neveljavno ime datoteke posnetka. Navedena mora biti polna pot do mape." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Neveljavno ime datoteke posnetka. Navedena mora biti polna pot do mape in " #~ "ime datoteke s pripono .avi." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Ni mogoče določiti zapisa iz imena datoteke: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animiranje trajektorij, reakcij in vibracij." #~ msgid "Cartesian Editor" #~ msgstr "Kartezijski urejevalnik" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Za molekulo ni navedene osnovne celice, zato ni mogoče uporabiti delnih " #~ "koordinat." #~ msgid "Cartesian Editor..." #~ msgstr "Kartezijski urejevalnik ..." #~ msgid "Cartesian editor" #~ msgstr "Kartezijski urejevalnik" #~ msgid "Number of atoms: %1" #~ msgstr "Število atomov: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Število vrtljivih vezi: %1" #~ msgid "Add constraint" #~ msgstr "Dodaj omejitev" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Molekula mora vsebovati vsaj en atom pred dodajanjem omejitev." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekula mora vsebovati vsaj dva atoma pred dodajanjem omejitev vezi." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekula mora vsebovati vsaj tri atome pred dodajanjem omejitev kotov." #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Molekula mora vsebovati vsaj štiri atome pred dodajanjem omejitev torzije." #~ msgid "&Crystallography" #~ msgstr "&Kristalografija" #~ msgid "&Reduce" #~ msgstr "&Zmanjšaj" #~ msgid "&Length Unit" #~ msgstr "Enota &dolžine" #~ msgid "&Angle Unit" #~ msgstr "Enota &kotov" #~ msgid "Coordinate &Preservation" #~ msgstr "&Ohranjanje koordinat" #~ msgid "&Matrix Display" #~ msgstr "Prikaz &matrike" #~ msgid "Hide &Editors" #~ msgstr "Skrij &urejevalnike" #~ msgid "Show &Editors" #~ msgstr "Pokaži &urejevalnike" #~ msgid "Hide &Property Display" #~ msgstr "Skrij &lastnosti prikaza" #~ msgid "Show &Property Display" #~ msgstr "Pokaži &lastnosti prikaza" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Vrsta kristalne celice: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Prostorska skupina: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Prostornina osnovne celice: %L1%2" #~ msgid "Undefined" #~ msgstr "Nedoločeno" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinski" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinski" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombski" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonalni" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Heksagonalni" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubični" #~ msgid "Paste Crystal" #~ msgstr "Prilepi kristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Nigglijevo zmanjševanje je spodletelo. Vhodna zgradba kristalne mreže ni " #~ "skladna z zahtevami Nigglijevega algoritma zmanjševanja. Morda je treba " #~ "zmanjšati perturbacijo (za približno dva velikostna razreda manj od " #~ "tolerance) vhodne mreže." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Po 1000 zmanjševanjih z izbranim algoritmom je nadaljnje zmanjševanje " #~ "celice spodletelo. Opravilo je zaustavljeno." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Zavrti na &običajno usmerjenost" #~ msgid "&Slab..." #~ msgstr "&Površinske plasti ..." #~ msgid "Perceive Space&group..." #~ msgstr "Zaznaj &prostorsko skupino ..." #~ msgid "Set &Spacegroup..." #~ msgstr "Nastavi &prostorsko skupino ..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Zapolni osnovno celico" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Zapolni osnovno celico s trenutno prostorsko skupino." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Zmanjšaj na &asimetrično enoto" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Prilagajanje simetrije kristala" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Zmanjšaj celico (&primitivno)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Pikometer" #~ msgid "&Degree" #~ msgstr "&Stopinja" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Pokaži &kartezijske koordinate" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Ohrani &kartezijske koordinate med spreminjanjem celice" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Ohrani &delne koordinate med spreminjanjem celice" #~ msgid "Display &cartesian matrix" #~ msgstr "Izriši &kartezijsko matriko" #~ msgid "Display &fractional matrix" #~ msgstr "Pokaži &delno matriko" #~ msgid "Display as &column vectors" #~ msgstr "Izriši kot &stolpične vektorje" #~ msgid "&Crystal View Options..." #~ msgstr "&Možnosti pogleda kristala ..." #~ msgid "Set Spacegroup" #~ msgstr "Nastavi prostorsko skupino" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Ni določene prostorske skupine za ta dokument.\n" #~ "\n" #~ "Ali želite prostorsko skupino nastaviti zdaj?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Zaznana je prostorska skupina P1 - določitev simetrije te kristalografske " #~ "skupine ni mogoče.\n" #~ "\n" #~ " Ali naj se upošteva drugačna toleranca?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Združi atome v celico" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Zmanjšaj na Nigglijevo celico" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Izbor tolerance v trenutnih kartezijskih enotah:" #~ msgid "Crystallography" #~ msgstr "Kristalografija" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Izgradnja in proučevanje periodičnih struktur." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Vhodni podatki niso oblikovani v enem\n" #~ "izmed navedenih podprtih zapisov:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Zapis VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Slaba skladnja" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Polje identitet mora vsebovati enako število s presledkom ločenih vnosov, " #~ "kot jih ima 6. vrstica skripta POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Kartezijske koordinate" #~ msgid "Fractional Coordinates" #~ msgstr "Delne koordinate" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrika celice (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Nastavi matriko osnovne celice" #~ msgid "Set Unit Cell Params" #~ msgstr "Nastavi parametre osnovne celice" #~ msgid "Working..." #~ msgstr "Poteka izvajanje opravila ..." #~ msgid "Build" #~ msgstr "Izgradi" #~ msgid "Cut Slab From Crystal" #~ msgstr "Izreži površinsko plast kristala" #~ msgid "No GLWidget?" #~ msgstr "Ali morda ni gradnika GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Izbrati je treba enega ali več atomov." #~ msgid "Trajectory..." #~ msgstr "Trajektorije ..." #~ msgid "Open chemical file format" #~ msgstr "Odpri zapis molekulskega modela" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Datoteke koordinat (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Odpri datoteko parametrov" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Datoteke parametrov (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Uvozi trajektorije" #~ msgid "Import trajectory files" #~ msgstr "Uvozi datoteke trajektorij" #~ msgid "Calculate Energy" #~ msgstr "Izračun energije" #~ msgid "Conformer Search..." #~ msgstr "Iskanje konformer ..." #~ msgid "Constraints..." #~ msgstr "Omejitve ..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Ni mogoče nastaviti trenutno izbranega polja sil za to molekulo. Izbira " #~ "bo preklopljena na UFF." #~ msgid "Geometric Optimization" #~ msgstr "Prilagajanje geometrije" #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematično iskanje vrtljivih vezi" #~ msgid "Random Rotor Search" #~ msgstr "Naključno iskanje vrtljivih vezi" #~ msgid "Weighted Rotor Search" #~ msgstr "Uteženo iskanje vrtljivih vezi" #~ msgid "Genetic Algorithm Search" #~ msgstr "Iskanje z genetskim algoritmom" #~ msgid "ForceField" #~ msgstr "Polje sil" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Prilagajanje molekul in ustvarjanje konformer z uporabo molekulsko " #~ "mehanskega polja sil." #~ msgid "&Vector Graphics..." #~ msgstr "&Vektorska grafika ..." #~ msgid "Common vector image formats" #~ msgstr "Vektorski zapisi" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Izvoz vektorske grafike" #~ msgid "Change H to Methyl" #~ msgstr "Zamenjaj vodik (H) z metilno skupino (CH3)" #~ msgid "H to Methyl" #~ msgstr "H- -> CH3-" #~ msgid "H2Methyl" #~ msgstr "H- -> CH3-" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Zamenjaj atome vodika z metilno skupino" #~ msgid "Add or remove hydrogens" #~ msgstr "Dodajanje ali odstranjevanje vodikov" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Vstavi verige DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptidi ..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Vstavi oligopeptidno zaporedje" #~ msgid "Invert Chirality" #~ msgstr "Vstavi kiralni center" #~ msgid "InvertChiral" #~ msgstr "Obrnjeni kiralni centri" #~ msgid "Invert chiral centers" #~ msgstr "Obrni kiralne centre" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "neznano" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Ocenjeni dipolni moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Pokaži običajne lastnosti molekule." #~ msgid "Fetch by chemical name..." #~ msgstr "Pridobi po imenu kemijske strukture ..." #~ msgid "Fetch from URL..." #~ msgstr "Pridobi strukturo preko naslova URL ..." #~ msgid "PDB Entry" #~ msgstr "Struktura PDB" #~ msgid "PDB entry to download." #~ msgstr "Struktura PDB za prejem s strežnika." #~ msgid "URL" #~ msgstr "Naslov URL do strukture" #~ msgid "URL of molecule to download." #~ msgstr "Naslov URL do strukture molekule za prejem." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Navedene molekule ni mogoče naložiti: %1" #~ msgid "Network Fetch" #~ msgstr "Pridobivanje preko omrežja" #~ msgid "Fetch molecule files over the network." #~ msgstr "Pridobivanje datoteke molekulskih struktur preko omrežja." #~ msgid "OrcaExtension Warning" #~ msgstr "Opozorilo razširitve Orca" #~ msgid "OrcaExtension" #~ msgstr "Razpiritev Orca" #~ msgid " No vibration data found!" #~ msgstr " Ni najdenih podatkov vibracij" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Ni najdenih podatkov vibracij ali pa je molekula spremenjena izven " #~ "vstavka Orca!" #~ msgid "extended Geometry File" #~ msgstr "razširjena datoteka geometrije" #~ msgid "Read Orca Outputfile" #~ msgstr "Preberi odvod vstavka Orca" #~ msgid "no file found" #~ msgstr "ni najdene datoteke" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Datoteka strukture je napačno zapisana" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Datoteka strukture je napačno zapisana - osnovne celice" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Prišlo je do napake v odvodu podatkov IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Prišlo je do napake v odvodu podatkov raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Prišlo je do napake v odvodu podatkov energije orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Ni najdene datoteke geometrije!" #~ msgid "Could not read file!" #~ msgstr "Ni mogoče prebrati datoteke!" #~ msgid "Analyse Orca Output..." #~ msgstr "Preučevanje odvoda Orca ..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Preizkusni primer Orca" #~ msgid "Show Preview" #~ msgstr "Pokaži predogled" #~ msgid "Hide Preview" #~ msgstr "Skrij predogled" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Shrani sliko izrisa s POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Slikovne datoteke (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray ..." #~ msgid "No valid filename was supplied." #~ msgstr "Ni podanega veljavnega imena datoteke." #~ msgid "Does not compute." #~ msgstr "Se ne izračuna." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Ni izbrana možnost neposrednega izrisovanja s POV-Ray in ni izbrana " #~ "možnost shranjevanja slike. Odvod ne bo shranjen. Ali želite nadaljevati?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Ni mogoče pisati v datoteko %1. Ali so določena ustrezna krajevna " #~ "dovoljenja?" #~ msgid "POV-Ray failed to start." #~ msgstr "Zagon programnika POV-Ray je spodletel." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Zagon programnika POV-Ray je spodletel. Morda pot do izvedljive datoteke " #~ "ni pravilna." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Ustvarjanje datotek POV-Ray in izrisovanje z uporabo ukazne vrstice." #~ msgid "Conformer Properties..." #~ msgstr "Lastnosti konformere ..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "Terminalsko sidrišče Python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Skriptni terminal Python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Abinit?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Skript Abinit" #~ msgid "Abinit Running." #~ msgstr "Programnik Abinit je zagnan." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Programnik Abinit je že zagnan. Pred končanjem izračunavanja ga ni mogoče " #~ "ponovno zagnati." #~ msgid "Abinit Not Installed." #~ msgstr "Programnik Abinit ni nameščen." #~ msgid "The abinit executable cannot be found." #~ msgstr "Izvedljive datoteke abinit ni mogoče najti." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Datoteke pseudo (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF " #~ "*.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Programnik abinit ni zagnan. Morda ni pravilno nameščen." #~ msgid "Running Abinit calculation..." #~ msgstr "Izvajanje preračunavanja Abinit ..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Programnik Abinit ni pravilno zagnan. Morda ni pravilno nameščen." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Dalton?" #~ msgid "QM Matches" #~ msgstr "KM zadetki" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Izbor EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "KM izbor ..." #~ msgid "You must make a selection!" #~ msgstr "Nekaj predmetov je treba izbrati!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Pretvorbe SMILES niso podprte" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Pretvorbe zapisa SMILES niso podprte!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Ustvarjanje vhodnih datotek za kvantni kemijski paket GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Napredne nastavitve so spremenjene" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Zahtevnejše nastavitve programa so spremenjene.\n" #~ "Ali naj se zavržejo?" #~ msgid "Advanced Settings Reset" #~ msgstr "Ponastavitev zahtevnejših nastavitev" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ali ste prepričani, da želite ponastaviti napredne nastavitve?\n" #~ "Vse spremembe bodo izgubljene." #~ msgid "Basic Settings Reset" #~ msgstr "Ponastavitev osnovnih nastavitev" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ali ste prepričani, da želite ponastaviti osnovne nastavitve?\n" #~ "Vse spremembe bodo izgubljene." #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Skript GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Skript Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Programnik Gaussian je zagnan." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Programnik Gaussian je že zagnan. Pred končanjem izračunavanja ga ni " #~ "mogoče ponovno zagnati." #~ msgid "Gaussian Not Installed." #~ msgstr "Programnik Gaussian ni nameščen." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Zagonljive datoteke G03 ni mogoče najti." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Programnik G03 ni zagnan. Morda ni pravilno nameščen." #~ msgid "Running Gaussian calculation..." #~ msgstr "Izvajanje Gaussovega preračunavanja ..." #~ msgid "G03 Crashed." #~ msgstr "Programnik G03 se je sesul." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Programnik Gaussian ni pravilno zagnan. Morda ni pravilno nameščen." #~ msgid "&Abinit..." #~ msgstr "&Abinit ..." #~ msgid "&Dalton..." #~ msgstr "&Dalton ..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian ..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO ..." #~ msgid "&NWChem..." #~ msgstr "&NWChem ..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem ..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem ..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Skript Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Opozorilo skripta MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Skript MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Programnik MOPAC je zagnan." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Programnik MOPAC je že zagnan. Pred končanjem izračunavanja ga ni mogoče " #~ "ponovno zagnati." #~ msgid "MOPAC Not Installed." #~ msgstr "Programnik MOPAC ni nameščen." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Izvedljive datoteke MOPAC ni mogoče najti." #~ msgid "MOPAC failed to start." #~ msgstr "Zagon Programnika MOPAC je spodletel." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Programnik MOPAC ni zagnan. Morda ni pravilno nameščen." #~ msgid "Running MOPAC calculation..." #~ msgstr "Poteka izvajanje izračunov MOPAC ..." #~ msgid "MOPAC Crashed." #~ msgstr "Programnik MOPAC se je sesul." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Programnik MOPAC ni pravilno zagnan. Morda ni pravilno nameščen." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Skript NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Skript Q-Chem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Skript TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Izbor SMARTS ..." #~ msgid "Add Named Selection..." #~ msgstr "Dodaj poimenovan izbor ..." #~ msgid "SMARTS Selection" #~ msgstr "Izbor SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Izbor vzorca SMARTS" #~ msgid "There is no current selection." #~ msgstr "Ni trenutnega izbora." #~ msgid "Add Named Selection" #~ msgstr "Dodaj poimenovan izbor" #~ msgid "Name cannot be empty." #~ msgstr "Ime ne sme biti prazno" #~ msgid "There is already a selection with this name." #~ msgstr "Izbor s tem imenom že obstaja" #~ msgid "Selections" #~ msgstr "Izbori" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Izbor atomov, vezi, preostankov ..." #~ msgid "GLSL Shaders..." #~ msgstr "Senčilniki GLSL ..." #~ msgid "Open a vertex shader source file" #~ msgstr "Odpri izvorno datoteko senčilnika Vertex" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Datoteke senčilnika Vertex (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Odpri izvorno datoteko senčilnika Fragment" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Datoteke senčilnika Fragment (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Odpri datoteko parametrov senčilnika" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Datoteke parametrov senčilnika (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Senčilniki GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Nalaganje in uporaba senčilnikov OpenGL 2.0 GLSL." #~ msgid "Intensity (arb. units)" #~ msgstr "Intenziteta (poljubne enote)" #~ msgid "Density of States (states/cell)" #~ msgstr "Gostota stanj (stanja/celice)" #~ msgid "Density of States (states/atom)" #~ msgstr "Gostota stanj (stanja/atomi)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Gostota stanj (stanja/valenčni elektroni)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitanca (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbanca (%)" #~ msgid "No intensities" #~ msgstr "Brez intenzitet" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Podatki vibracij molekule ne vsebujejo tudi podatkov o intenziteti " #~ "vibracij. Manjkajoče vrednosti so nastavljene na poljubne vrednosti za " #~ "predočenje." #~ msgid "Activity" #~ msgstr "Aktivnost" #~ msgid "X Axis" #~ msgstr "Os X" #~ msgid "Y Axis" #~ msgstr "Os Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Nastavitve &Infrardečega spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Nastavitve spektra &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "Spekter UV" #~ msgid "&UV Settings" #~ msgstr "Nastavitve &UV" #~ msgid "&CD Settings" #~ msgstr "Nastavitve &CD" #~ msgid "&Raman Settings" #~ msgstr "Nastavitve &Ramanskega spektra" #~ msgid "No data" #~ msgstr "Ni podatkov" #~ msgid "Dark" #~ msgstr "Temna" #~ msgid "Publication" #~ msgstr "Objavna" #~ msgid "Handdrawn" #~ msgstr "Ročno risana" #~ msgid "New Scheme" #~ msgstr "Nova shema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potrdi odstranjevanje sheme" #~ msgid "Really remove current scheme?" #~ msgstr "Ali naj se trenutna shema res odstrani?" #~ msgid "Change Scheme Name" #~ msgstr "Spremeni ime sheme" #~ msgid "Enter new name for current scheme:" #~ msgstr "Vnos novega imena trenutne sheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "S tabulatorji ločene vrednosti (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "S tabulatorji ločene vrednosti" #~ msgid "Comma Separated Values" #~ msgstr "Z vejico ločene vrednosti" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Uvoz podatkov spektra" #~ msgid "Unknown extension: %1" #~ msgstr "Neznana razširitev: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf UV podatki (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole UV podatki (kontrola)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV podatki (spekter)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Podatki Turbomole CD (cdspekter)" #~ msgid "Data Format" #~ msgstr "Zapis podatkov" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Zapis:" #~ msgid "Load Spectral Data" #~ msgstr "Naloži podatke spektra" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Datoteka Turbomole CD ni pravilno oblikovana : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Shrani sliko spektra" #~ msgid "&Advanced <<" #~ msgstr "&Napredno <<" #~ msgid "&Advanced >>" #~ msgstr "&Napredno >>" #~ msgid "&Spectra..." #~ msgstr "&Spektri ..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Predočenje spektralnih podatkov kvantnih kemijskih izračunov" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analiza vibracij" #~ msgid "No vibrational displacements exist." #~ msgstr "Vibracijski premiki ne obstajajo." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Predočenje vibracijskih podatkov kvantnih kemijskih izračunov" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Razvrščanje %1 vibracij po frekvenci ..." #~ msgid "Super Cell Builder..." #~ msgstr "Izgrajevalnik supercelice ..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Trenutno je izrisana le ena molekula. Ustvariti je treba osnovno celico." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Izgradi in prikaži kristalografsko supercelico" #~ msgid "Molecular Orbitals..." #~ msgstr "Molekulske orbitale ..." #~ msgid "Orbitals" #~ msgstr "Orbitale" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Brez" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waalsovi radii" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronska gostota" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Napaka - nedoločena vrsta" #~ msgid "Calculating VdW Cube" #~ msgstr "Izračunavanje Van der Waalsove kocke" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Izračunavanje MO %L1" #~ msgid "VdW" #~ msgstr "Van der Waalsovi radii" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Površine elektrostatskih potencialov še niso podprte." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Izračunavanje molekulskih orbital in drugih površin" #~ msgid "&Nanotube Builder..." #~ msgstr "Izgrajevalnik &nanocevk" #~ msgid "Nanotube Builder" #~ msgstr "Izgrajevalnik nanocevk" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Neveljavno določilo nanocevke" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Zahtevane nanocevke ni mogoče izgraditi zaradi napake:\n" #~ "\n" #~ "Vrednost n ali m mora biti večja od 1." #~ msgid "Insert Nanotube" #~ msgstr "Vstavi nanocevko" #~ msgid "SWCNT Builder" #~ msgstr "Izgrajevalnik SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Izgradnja enostavnih ogljikovih nanocevk." #~ msgid "Building..." #~ msgstr "Izgradnja ..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "Gradnik GL ni uspešno začet za ustvarjanje video posnetka." #~ msgid "GL widget has no molecule" #~ msgstr "Gradnik GL ne zazna molekule" #~ msgid "Building video " #~ msgstr "Izgradnja video posnetka " #~ msgid "Could not run mencoder." #~ msgstr "Ukaza mancoder ni mogoče zagnati." #~ msgid "Set Aspect Ratio" #~ msgstr "Nastavitev razmerje velikosti" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Velikost trenutnega pogleda je %1x%2 slikovnih točk v razmerju stranic " #~ "%3.\n" #~ "Ta vrednost je pomembna pri uporabi izrisovalnika POV-Ray\n" #~ "če želite izrisati sliko velikosti %4x1000 točk. Mogoče je vnesti " #~ "katerokoli pozitivno vrednost,\n" #~ "na primer 1, če želite izrisati sliko velikosti 1000x1000 slikovnih točk." #~ msgid "VRML..." #~ msgstr "VRML ..." #~ msgid "Connect" #~ msgstr "Poveži" #~ msgid "Disconnect" #~ msgstr "Prekini povezavo" #~ msgid "&WiiTrack" #~ msgstr "&Sledilnik Wii" #~ msgid "Wii Tracking" #~ msgstr "Sledenje s sledilnikom Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Zaznavanje gibanja s sledilnikom Wii." #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Neveljavna vsebina OpenGL.\n" #~ "Ali je nekaj povsem uničeno v nastavitvah OpenGL (ali programi s podporo " #~ "OpenGL delujejo?) ali pa je napaka še neodkrit hrošč." #~ msgid "Debug Information" #~ msgstr "Podrobnosti razhroščevanja" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Velikost pogleda: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Število atomov: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 je izven veljavnega obsega." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Vrsta datoteke '%1' ni podprta za branje." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Vrsta datoteke za datoteko '%1' ni podprta za branje." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Branje molekule z indeksom %1 iz datoteke '%2' je spodletelo." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "zamenjava molekule: indeks %1 je izven veljavnega obsega." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Vrsta datoteke '%1' ni podprta za pisanje." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Vrsta datoteke za datoteko '%1' ni podprta za pisanje." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Datoteke '%1' ni mogoče odpreti za branje." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Zamenjava molekule z indeksom %1 iz datoteke '%2' je spodletelo." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Datoteke %1 ni mogoče odpreti za branje." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Datoteke %1 ni mogoče odpreti za pisanje." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Shranjevanje datoteke molekule je spodletelo - ni mogoče preimenovati " #~ "izvorne datoteke." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Shranjevanje datoteke molekule je spodletelo - nove datoteke ni mogoče " #~ "preimenovati." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Shranjevanje datoteke molekule je spodletelo - ni mogoče odstraniti stare " #~ "datoteke." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Zapisovanje molekule v datoteko '%1' je spodletelo. Izvajanje funkcije " #~ "OpenBabel je spodletelo." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Datoteke %1 ni mogoče odpreti za pisanje." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Zapisovanje konformer v datoteko '%1' je spodletelo." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Neznan programnik Python" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "Programnik Python: poteka preverjanje " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - v skriptu ni naveden razred 'Engine'" #~ msgid " - no module" #~ msgstr " - ni modula" #~ msgid "Unknown Python Extension" #~ msgstr "Neznana razširitev Python" #~ msgid "PythonExtension: checking " #~ msgstr "Razširitev Python: poteka preverjanje " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - v skriptu ni naveden razred 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Neznano orodje Python" #~ msgid "PythonTool: checking " #~ msgstr "Orodje Python: poteka preverjanje " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - v skriptu ni naveden razred 'Orodje'" #~ msgid "Tools" #~ msgstr "Orodja" #~ msgid "Align:" #~ msgstr "Poravnava:" #~ msgid "Everything" #~ msgstr "Vse" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Orodje za samodejno prilagajanje\n" #~ "\n" #~ "S klikom na prazen prostor, se omogočijo funkcije krmarjenja.\n" #~ "Levi gumb miške: \tZavrti prostor\n" #~ "Srednji gumb miške: Približaj prostor\n" #~ "Desni gumb miške: \tPremakni prostor\n" #~ "Dvojni klik: \t Počisti pogled\n" #~ "\n" #~ "Ob zagonu:\n" #~ "Levi klik: \tS klikom in vlečenjem je mogoče atome premikati." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Samodejno prilagajanje: ni mogoče nastaviti polja sil ..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Samodejno prilagajanje: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Število omejitev: %1" #~ msgid "Steps per Update:" #~ msgstr "Koraki posodobitve:" #~ msgid "Algorithm:" #~ msgstr "Aalgoritem:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molekularna dinamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekularna dinamika (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Potrjeni atomi so premakljivi" #~ msgid "Ignored atoms are movable" #~ msgstr "Prezrti atomi so premakljivi" #~ msgid "AutoOpt Molecule" #~ msgstr "Samodejno prilagajanje molekule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Samodejno prilagajanje molekulske geometrije" #~ msgid "AutoOptimization Settings" #~ msgstr "Nastavitve samodejnega prilagajanja" #~ msgid "Auto Rotation Tool" #~ msgstr "Orodje za samodejno vrtenje" #~ msgid "x rotation:" #~ msgstr "Vrtenje po X:" #~ msgid "x rotation" #~ msgstr "Vrtenje po osi X." #~ msgid "y rotation:" #~ msgstr "Vrtenje po Y:" #~ msgid "y rotation" #~ msgstr "Vrtenje po osi Y." #~ msgid "z rotation:" #~ msgstr "Vrtenje po Z:" #~ msgid "z rotation" #~ msgstr "Vrtenje po osi Z." #~ msgid "Automatic rotation of molecules" #~ msgstr "Samodejno vrtenje molekul na zaslonu." #~ msgid "AutoRotate Settings" #~ msgstr "Nastavitve samodejnega vrtenja" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Dolžina vezi: %L1" #~ msgid " Show Angles" #~ msgstr " Pokaži kote" #~ msgid "Snap-to Threshold: " #~ msgstr "Prag pripenjanja: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Premeščaj in spreminjaj vezi" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Premeščanje in spreminjanje dolžine in kotov vezi ter torzije" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Nastavitve premeščanja in spreminjanja vezi" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Razdalja (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Razdalja (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedralni kot: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Razdalje:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Izmera dolžine in kotov vezi in dihedralnih kotov" #~ msgid "Draw Bond" #~ msgstr "Nariši vez" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Risanje in urejanje atomov in vezi" #~ msgid "Draw Settings" #~ msgstr "Nastavitve risanja" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Preslikovanje, vrtenje in položajno prilagajanje atomov in molekul" #~ msgid "Manipulate Settings" #~ msgstr "Nastavitve premeščanja in spreminjanja vezi" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Preslikovanje, vrtenje in približanje pogleda atomov in molekul" #~ msgid "Navigate Settings" #~ msgstr "Nastavitve krmarjenja" #~ msgid "Selection Mode:" #~ msgstr "Način izbire:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Vez" #~ msgid "Residue" #~ msgstr "Preostanek" #~ msgid "Add Center of Atoms" #~ msgstr "Dodaj središče atoma" #~ msgid "Change color of the atom" #~ msgstr "Spremeni barvo atoma" #~ msgid "Change label of the atom" #~ msgstr "Spremeni oznako atoma" #~ msgid "Change label of the bond" #~ msgstr "Spremeni oznako vezi" #~ msgid "Change radius of the atom" #~ msgstr "Spremeni radij atoma" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nov radij, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Izbor atomov, preostankov in molekul" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Dolžina vezi" #~ msgid "Dihedral Angle" #~ msgstr "Dihedralni kot" #~ msgid "Z Matrix Editor..." #~ msgstr "Urejevalnik matrike Z ..." #~ msgid "Z-Matrix" #~ msgstr "Matrika Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Ustvarjanje in urejanje matrike Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Nastavitve matrike Z" #~ msgid "Color residues by:" #~ msgstr "Barva po ostanku:" #~ msgid "Amino Colors" #~ msgstr "Barve aminokislin" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobnost" #~ msgid "Axes:" #~ msgstr "Osi:" #~ msgid "Cartesian Axes" #~ msgstr "Kartezijske osi" #~ msgid "Orthogonal Axes" #~ msgstr "Ortogonalne osi" #~ msgid "Axis 1:" #~ msgstr "Os 1:" #~ msgid "Axis 2:" #~ msgstr "Os 2:" #~ msgid "Axis 3:" #~ msgstr "Os 3:" #~ msgid "Origin:" #~ msgstr "Izvor:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Ohrani norme vektorja" #~ msgid "Atom Radius:" #~ msgstr "Radij atoma:" #~ msgid "Bond Radius:" #~ msgstr "Radij vezi:" #~ msgid "Shape" #~ msgstr "Oblika" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "C" #~ msgid "Loop" #~ msgstr "Zanka" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Vektor po meri" #~ msgid "Custom:" #~ msgstr "Po meri:" #~ msgid "Cut-off radius:" #~ msgstr "Izključitveni radij:" #~ msgid "Cut-off angle:" #~ msgstr "Izključitveni kot:" #~ msgid "Rendering Engine:" #~ msgstr "Programnik izrisovanja:" #~ msgid "TextRenderer" #~ msgstr "Izrisovalnik besedila" #~ msgid "QPainter" #~ msgstr "QRisalnik" #~ msgid "Text:" #~ msgstr "Besedilo:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbol in številka v skupini" #~ msgid "Symbol & Atom number" #~ msgstr "Številka simbola in atoma" #~ msgid "Partial charge" #~ msgstr "Delni naboj" #~ msgid "Residue number" #~ msgstr "Število ostanka" #~ msgid "Custom data" #~ msgstr "Podatki po meri" #~ msgid "Change Font" #~ msgstr "Spremeni pisavo" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Zamik oznake:" #~ msgid "Bond length" #~ msgstr "Dolžina vezi" #~ msgid "Bond number" #~ msgstr "Število vezi" #~ msgid "Bond order" #~ msgstr "Vrsta vezi" #~ msgid "Lines" #~ msgstr "Črte" #~ msgid "Radius:" #~ msgstr "Radij:" #~ msgid "Include Nitrogens" #~ msgstr "Vključi dušike" #~ msgid "VdW Opacity:" #~ msgstr "Prekrivnost Van der Waalsovega polja:" #~ msgid "Orbital:" #~ msgstr "Orbitala:" #~ msgid "Render:" #~ msgstr "Izriši:" #~ msgid "Fill" #~ msgstr "Zapolni" #~ msgid "Points" #~ msgstr "Točke" #~ msgid "Draw Box:" #~ msgstr "Izriši prostor:" #~ msgid "Mapped Colors" #~ msgstr "Preslikane barve" #~ msgid "Positive" #~ msgstr "Pozitiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Pokaži atome" #~ msgid "Animate Trajectory" #~ msgstr "Animiranje trajektorij" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Zanka" #~ msgid "Save as .avi..." #~ msgstr "Shrani kot .avi ..." #~ msgid "Angstroms" #~ msgstr "Angstremi" #~ msgid "Bohrs" #~ msgstr "Bohri" #~ msgid "Fractional" #~ msgstr "Delno" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, le koordinate" #~ msgid "GAMESS Input #2" #~ msgstr "Skript GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Skript Priroda" #~ msgid "Apply Changes" #~ msgstr "Uveljavi spremembe" #~ msgid "Cut All" #~ msgstr "Izreži vse" #~ msgid "Paste to the End" #~ msgstr "Prilepi na koncu" #~ msgid "(None)" #~ msgstr "(Brez)" #~ msgid "Sort by " #~ msgstr "Razvrsti po " #~ msgid "Number of atoms:" #~ msgstr "Število atomov:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Število vrtljivih vezi:" #~ msgid "Ignore Atom" #~ msgstr "Prezri atom" #~ msgid "Fix Atom" #~ msgstr "Popravi atom" #~ msgid "Fix Atom X" #~ msgstr "Popravi atom X" #~ msgid "Fix Atom Y" #~ msgstr "Popravi atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Popravi atom Z" #~ msgid "Torsion angle" #~ msgstr "Kot torzije" #~ msgid "Save" #~ msgstr "Shrani" #~ msgid "Load" #~ msgstr "Naloži" #~ msgid "Atomic &identites:" #~ msgstr "Atomske &identitete:" #~ msgid "Surface Slab Builder" #~ msgstr "Izgrajevalnik površinskih plasti" #~ msgid "Plane:" #~ msgstr "Ravnina:" #~ msgid "&Miller Indices:" #~ msgstr "&Millerjevi indeksi:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Opozorilo: Millerjevi indeksi morajo biti vrednosti večje od nič" #~ msgid "Width (x)" #~ msgstr "Širina (x)" #~ msgid "Width (y)" #~ msgstr "Širina (y)" #~ msgid "Height (z)" #~ msgstr "Višina (z)" #~ msgid "length" #~ msgstr "dolžina" #~ msgid "cell repeats" #~ msgstr "ponovitev celice" #~ msgid "&Translate " #~ msgstr "&Preslikaj " #~ msgid "by arbitrary vector" #~ msgstr "po poljubnem vektorju" #~ msgid "selected atom to unit cell center" #~ msgstr "izbrani atomi v središče osnovne celice" #~ msgid "Translation vector:" #~ msgstr "Vektor preslikave:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vektorske enote:" #~ msgid "Cartesian" #~ msgstr "Kartezijski" #~ msgid "&Translate" #~ msgstr "&Preslikaj" #~ msgid "Crystal View Options" #~ msgstr "Možnosti pogleda kristala" #~ msgid "Unit Cell Repeats:" #~ msgstr "Ponovitev osnovne celice:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Ali naj se osnovne celice izrišejo?" #~ msgid "One" #~ msgstr "Ena" #~ msgid "All" #~ msgstr "Vse" #~ msgid "Color..." #~ msgstr "Barva ..." #~ msgid "View Along:" #~ msgstr "Pogled vzdolž:" #~ msgid "Default View" #~ msgstr "Privzet pogled" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Millerjevi indeksi" #~ msgid "File Import..." #~ msgstr "Uvoz datoteke ..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Ali naj se izvede samodejno zaznavanje vezi?" #~ msgid "Setup Force Field" #~ msgstr "Nastavitev polja sil" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Število korakov" #~ msgid "Algorithm" #~ msgstr "Algoritem" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa heliks" #~ msgid "Beta Sheet" #~ msgstr "Plošča beta" #~ msgid "Pi Helix" #~ msgstr "Heliks Pi" #~ msgid "Phi:" #~ msgstr "Fi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Število ostankov" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energija (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipolni moment (D):" #~ msgid "Basic" #~ msgstr "Osnovno" #~ msgid "Comment" #~ msgstr "Opomba" #~ msgid "Frequency" #~ msgstr "Frekvenca" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Oblika" #~ msgid "Advanced" #~ msgstr "Napredno" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Red" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Small" #~ msgstr "Majhno" #~ msgid "Large" #~ msgstr "Veliko" #~ msgid "Factor" #~ msgstr "Faktor" #~ msgid "Accuracy" #~ msgstr "Natančnost" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "SCF Type" #~ msgstr "Vrsta SCF" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "Grid" #~ msgstr "Mreža" #~ msgid "POV-Ray Export" #~ msgstr "Izvoz POV-Ray" #~ msgid "Select..." #~ msgstr "Izberi ..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Uporabi glajenje celote" #~ msgid "Antialias" #~ msgstr "Glajenje robov" #~ msgid "Set the background color to be transparent" #~ msgstr "Nastavitev barve ozadja na prozorno barvo" #~ msgid "Alpha transparency" #~ msgstr "Alfa prosojnost" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Izriši molekule neposredno preko ukazne vrstice z POV-Ray." #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Ohrani vir POV-Ray po končanem izrisu" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Ohrani vir POV-Ray po izrisu" #~ msgid "Path:" #~ msgstr "Pot:" #~ msgid "Abinit Input" #~ msgstr "Skript Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartezijski (angstremi)" #~ msgid "Reduced" #~ msgstr "Zmanjšano" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Meja ravnega vala (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Toleranca sil (Ha/Bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Največja razširitev kristalne mreže:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "premik točke-k:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Število pasov:" #~ msgid "# k-point shifts:" #~ msgstr "# premikov točk-k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Mejna mreže ravnega vala (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Shema zapolnitve:" #~ msgid "SCF tolerance type:" #~ msgstr "Vrsta tolerance SCF:" #~ msgid "Wave Function norm" #~ msgstr "Norma valovne funkcije" #~ msgid "Relative Force" #~ msgstr "Relativna sila" #~ msgid "1 - semiconducting" #~ msgstr "1 - polprevodno" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - hladno razmazanje (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussovo razmazanje" #~ msgid "Smearing width (Ha):" #~ msgstr "Širina razmazanja (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - brez gibajočih ionov " #~ msgid "1 - viscous damping" #~ msgstr "1 - viskozno dušenje" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS z energijo" #~ msgid "# Geometrical time steps:" #~ msgstr "# geometričnih časovnih korakov:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Glajenje kinetične energije (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Izračunaj ..." #~ msgid "Dalton Input" #~ msgstr "Skript Dalton" #~ msgid "Basics" #~ msgstr "Osnove" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Doda vpis podrobnosti v nazivni vrstici vnosne datoteke\n" #~ "kot opisne podatke vsebine." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Poplov način" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensenova polarizacijska skladnost" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunningova korelacijska skladnost" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Korelacijske funkcije notranjih elektronov" #~ msgid "Diffuse functions" #~ msgstr "Funkcije difuzije" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Neposredno" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Opravila naj se izvajajo vzporedno, če je mogoče. Ta možnost je na voljo\n" #~ "pri valovnih funkcijah SCF in izračunih DFT. Skript dalton podpira v " #~ "trenutni\n" #~ "različici programa le sistem MPI, ki mora biti pravilno izgrajen in " #~ "nameščen.\n" #~ "Število vozlišč je določeno z možnostjo \"-N #\" med izvedbo skripta " #~ "\"dalton\"." #~ msgid "Parallel" #~ msgstr "Vzporedno" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "ČrnoBelo" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Določila mreže" #~ msgid "Partitioning Scheme:" #~ msgstr "Shema razdeljevanja:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (izvorni)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kakovost mreže:" #~ msgid "coarse" #~ msgstr "grobo" #~ msgid "normal" #~ msgstr "običajno" #~ msgid "fine" #~ msgstr "dobra" #~ msgid "ultrafine" #~ msgstr "glajeno" #~ msgid "Radial Scheme:" #~ msgstr "Radialna shema:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Pokaže vse funkcionalne skupine" #~ msgid "Property:" #~ msgstr "Lastnost:" #~ msgid "Polarizability" #~ msgstr "Polarizabilnost" #~ msgid "Frequency Dependent" #~ msgstr "Frekvenčna odvisnost" #~ msgid "No. excitations:" #~ msgstr "Število vzbujenj" #~ msgid "EFP Matches" #~ msgstr "Zadetki EFP" #~ msgid "Group Label:" #~ msgstr "Oznaka skupine:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Napredne nastavitve" #~ msgid "Hessian" #~ msgstr "Hessova matrika" #~ msgid "Stat Point" #~ msgstr "Stacionarna točka" #~ msgid "System" #~ msgstr "Sistem" #~ msgid "MO Guess" #~ msgstr "Ugibanje MO" #~ msgid "Misc" #~ msgstr "Razno" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "Polarizacijske funkcije težkih atomov #D:" #~ msgid "Read" #~ msgstr "Preberi" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difuzne orbitale S pri težjih atomih" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difuzne orbitale L pri težjih atomih" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Dvojna z valenca" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Trojna z valenca" #~ msgid "SBKJA Valence" #~ msgstr "Valenca SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valenca Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Vrsta ECP:" #~ msgid "Default" #~ msgstr "Privzeto" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "Polarizacijske funkcije težkih atomov #F:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "Polarizacijske funkcije lažjih atomov:" #~ msgid "Max SCF Iterations:" #~ msgstr "Največje število SCF ponovitev:" #~ msgid "Gradient" #~ msgstr "Prelivanje" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Sedlo" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Prehodi s sevanjem" #~ msgid "Finite Electric Field" #~ msgstr "Končno električno polje" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Splošno prilagajanje" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Prilagajanje FMO" #~ msgid "Raman Intensities" #~ msgstr "Intenziteta Ramanskih vrhov" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Brez (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Vrsta SCF:" #~ msgid "Localization Method:" #~ msgstr "Način lokalizacije:" #~ msgid "Exec Type:" #~ msgstr "Vrsta izvajanja:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "CI Singles" #~ msgstr "Enojne KI (CI)" #~ msgid "Full Second Order CI" #~ msgstr "KI (CI) drugega reda" #~ msgid "General CI" #~ msgstr "Splošne KI (CI)" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearni CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC z dupleti" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC z singleti in dupleti" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Običajni zagon" #~ msgid "Check" #~ msgstr "Preverjanje" #~ msgid "Debug" #~ msgstr "Razhroščevanje" #~ msgid "Molecule Charge:" #~ msgstr "Naboj molekule:" #~ msgid "Run Type:" #~ msgstr "Zaženi vrsto:" #~ msgid "Use MP2" #~ msgstr "Uporabi MP2" #~ msgid "Use DFT" #~ msgstr "Uporabi DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# spremenjljivk matrike Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Vrsta osnovne osi:" #~ msgid "Coordinate Type:" #~ msgstr "Vrsta koordinate:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Edinstvene kartezijske koordinate" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrantov sistem" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC matrika Z" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Med izračunavanjem upoštevaj simetrijo" #~ msgid "Point Group:" #~ msgstr "Točkovna skupina:" #~ msgid "Minutes" #~ msgstr "Minute" #~ msgid "Hours" #~ msgstr "Ure" #~ msgid "Days" #~ msgstr "Dnevi" #~ msgid "Weeks" #~ msgstr "Tedni" #~ msgid "Years" #~ msgstr "Leta" #~ msgid "Millenia" #~ msgstr "Millennia" #~ msgid "MegaWords" #~ msgstr "MegaBesede" #~ msgid "MegaBytes" #~ msgstr "Megabajti" #~ msgid "GigaWords" #~ msgstr "GigaBesede" #~ msgid "GigaBytes" #~ msgstr "Gigabajti" #~ msgid "Force Parallel Methods" #~ msgstr "Vsili vzporedne načine" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Izdelaj \"jedrno\" datoteko ob prekinitvi" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Pomnilnik:" #~ msgid "Diagonalization Method:" #~ msgstr "Način diagonalizacije" #~ msgid "Parallel Load Balance Type" #~ msgstr "Vrsta" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Zanka" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Naslednja vrednost" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Uporabi zunanji način predstave sporočil" #~ msgid "Initial Guess:" #~ msgstr "Začetni ugib:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Prebrane MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Shranjene MO (DICTNRY)" #~ msgid "Skip" #~ msgstr "Preskoči" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Zavrti orbitale alfa in beta" #~ msgid "Print the Initial Guess" #~ msgstr "Izpiši začetni ugib" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Vmesnik GAMESS za drugovrstno kodo" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Vsili preverjanje vrste zagona" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK)" #~ msgid "Solvate with Water" #~ msgstr "Solvatiraj z vodo" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Ustvari naravne orbitale UHF" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Izračunaj le spremenjene v matriki" #~ msgid "Slater exchange" #~ msgstr "Slaterjeva zamenjava" #~ msgid "Becke 1988 exchange" #~ msgstr "Beckejeva 1988 zamenjava" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusairjeva (VWN5) korelacija" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parrjeva (LYP) soodnosnost" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slaterjeva zamenjava in VWN soodnosnost" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Beckejeva zamenjava in VWN5 soodnosnost" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Beckejeva zamenjava in LYP soodnosnost" #~ msgid "Gill 1996 exchange" #~ msgstr "Gillova 1996 zamenjava" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhofova (PBE) zamenjava" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: eno-parametrska progresivna soodnosnost" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Slaterjeva zamenjava in LYP soodnosnost" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Slaterjeva zamenjava in OP soodnosnost" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Beckejeva zamenjava in OP soodnosnost" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "GVWN: Gillova zamenjava in VWN5 soodnosnost" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Gillova zamenjava in VWN5 soodnosnost" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE zamenjava + VWN6 soodnosnost" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE zamenjava +LYP soodnosnost" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE zamenjava + OP soodnosnost" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF in Beckejeva zamenjava + LYP soodnosnost" #~ msgid "Grid-Free" #~ msgstr "Brez mreže" #~ msgid "DFT Functional:" #~ msgstr "Funkcionalna DFT:" #~ msgid "Duplicated on Each Node" #~ msgstr "Podvojeno na vsakem vozlišču" #~ msgid "Distributed Across All Nodes" #~ msgstr "Porazdeljeno preko vseh vozlišč" #~ msgid "words" #~ msgstr "besede" #~ msgid "Compute MP2 Properties" #~ msgstr "Izračunaj lastnosti MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Mejna integralna retencijska vrednost:" #~ msgid "Use Localized Orbitals" #~ msgstr "Uporabi lokalizirane orbitale" #~ msgid "# of Core Electrons:" #~ msgstr "# jedrnih elektronov:" #~ msgid "Transformation Method" #~ msgstr "Način transformacije" #~ msgid "Two Phase Bin Sort" #~ msgstr "Dvofazno razvrščanje" #~ msgid "Segmented Transformation" #~ msgstr "Transformacija po delih" #~ msgid "Numeric" #~ msgstr "Številčna" #~ msgid "Double Differenced Hessian" #~ msgstr "Dvojno diferencirana Hessova matrika" #~ msgid "Print Internal Force Constants" #~ msgstr "Izpiši konstante notranjih sil" #~ msgid "Displacement Size:" #~ msgstr "Velikost premika:" #~ msgid "Purify Hessian" #~ msgstr "Poenotena Hessova matrika" #~ msgid "Frequency Scale Factor:" #~ msgstr "Faktor merila frekvence:" #~ msgid "bohrs" #~ msgstr "bohri" #~ msgid "Initial Hessian" #~ msgstr "Začetna Hessova matrika" #~ msgid "Guess (+ define)" #~ msgstr "Ugibaj (+ določi)" #~ msgid "Read (from $HESS)" #~ msgstr "Preberi (iz $HESS)" #~ msgid "Update Step Size" #~ msgstr "Posodobi velikost koraka" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Izriši orbitale ob vsaki ponovitvi" #~ msgid "Stationary Point" #~ msgstr "Stacionarna točka" #~ msgid "Initial:" #~ msgstr "Začetno:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Prilagoditev racionalne funkcije" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratna aproksimacija" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Prilagajanje omejitev" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Preračunaj Hessovo matriko vsakih:" #~ msgid "Follow Mode:" #~ msgstr "Način sledenja:" #~ msgid "GAMESS-UK Input" #~ msgstr "Skript GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Skript GAMESS-UK, ustvarjen s programom Avogadro" #~ msgid "Transition State Search" #~ msgstr "Iskanje prehodnega stanja" #~ msgid "Basis:" #~ msgstr "Osnova:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matrika Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "V neposrednem načinu integrali niso shranjeni na disk, ampak so po " #~ "potrebi vsakič\n" #~ "preračunani. Na sistemih z zmogljivimi procesorji je neposredni način " #~ "običajno hitrejši." #~ msgid "Run in direct mode:" #~ msgstr "Zaženi v neposrednem načinu:" #~ msgid "Gaussian Input" #~ msgstr "Skript Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Običajno" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Kontrolna točka:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrika Z (skrčen pogled)" #~ msgid "MOLPRO Input" #~ msgstr "Skript MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Različica Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Kvartet" #~ msgid "Quintet" #~ msgstr "Kvintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Skript NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Skript Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Neomejeno" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "ne" #~ msgid "yes" #~ msgstr "da" #~ msgid "Dispersion:" #~ msgstr "Razpršitev:" #~ msgid "Load Shaders" #~ msgstr "Naloži senčilnike" #~ msgid "Shader Name:" #~ msgstr "Ime senčilnika:" #~ msgid "Vertex Shader:" #~ msgstr "Senčilnik Vertex:" #~ msgid "Fragment Shader:" #~ msgstr "Senčilnik Fragment:" #~ msgid "Assign Shader" #~ msgstr "Dodeli senčilnik" #~ msgid "Display Type:" #~ msgstr "Vrsta prikaza:" #~ msgid "Font:" #~ msgstr "Pisava:" #~ msgid "Change Font..." #~ msgstr "Spremeni pisavo ..." #~ msgid "Foreground:" #~ msgstr "Pisava:" #~ msgid "New..." #~ msgstr "Novo ..." #~ msgid "Rename..." #~ msgstr "Preimenuj ..." #~ msgid "&Schemes:" #~ msgstr "&Sheme:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Širina" #~ msgid "&Height" #~ msgstr "&Višina" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "palcev" #~ msgid "px" #~ msgstr "točk" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Uporabiti je treba prilagojeno vrednost velikosti pisave namesto privzete " #~ "vrednosti sheme (velikosti točk zaslona na sliko se ne prevajajo " #~ "ustrezno)." #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Samodejno prilagodi &velikost pisave" #~ msgid "Spectra Tab" #~ msgstr "Spekter" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussova širina:" #~ msgid "&Label peaks" #~ msgstr "&Oznake vrhov" #~ msgid "Rotatory Strength type:" #~ msgstr "Vrsta rotacijske moči:" #~ msgid "Energy units:" #~ msgstr "Enote energije:" #~ msgid "Density units" #~ msgstr "Enote gostote:" #~ msgid "Fermi Energy: " #~ msgstr "Fermijeva energija: " #~ msgid "States / Cell" #~ msgstr "Stanja / Celica" #~ msgid "States / Atom" #~ msgstr "Stanja / Atom" #~ msgid "States / Valence electron" #~ msgstr "Stanja / Valenčni elektroni" #~ msgid "Fermi energy at zero" #~ msgstr "Fermijeva energija pri vrednosti nič" #~ msgid "Scale integrated DOS" #~ msgstr "Prilagodi vgrajeni DOS" #~ msgid "Show integrated DOS" #~ msgstr "Pokaži vgrajeni DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Enote osi &Y:" #~ msgid "Scaling Type:" #~ msgstr "Vrsta prilagajanja merila:" #~ msgid "Relative" #~ msgstr "relativna" #~ msgid "Laser Wavenumber:" #~ msgstr "Valovna dolžina laserja:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Jedro:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussova &širina:" #~ msgid "Reset &Plot Axes" #~ msgstr "Ponastavi osi &izrisa" #~ msgid "Label Peaks:" #~ msgstr "Oznake vrhov:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekularne vibracije" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Aktivnost (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Pokaži spekter ..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "hitrejše frekvence vibraciji se bodo pokazale kot hitrejše gibanje" #~ msgid "Animation speed set by frequency" #~ msgstr "Hitrost animacije, določena s frekvenco" #~ msgid "Display force &vectors" #~ msgstr "Prikaži vektorje sil" #~ msgid "&Normalize displacements" #~ msgstr "&Normaliziraj premik" #~ msgid "&Recalculate All" #~ msgstr "&Ponovno preračunaj" #~ msgid "Default &Quality:" #~ msgstr "Privzeta &kakovost:" #~ msgid "Show occupied orbitals first" #~ msgstr "Najprej pokaži zasedene orbitale" #~ msgid "Limit orbital precalculations to " #~ msgstr "Omeji preračunavanje orbital na " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitale okoli HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Vrsta površine:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Nizka" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Srednja" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Visoka" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Zelo visoka" #~ msgid "Isosurface cutoff value" #~ msgstr "Izključitvena vrednost izo-površine" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "V vrsti prikaza:" #~ msgid "New Display" #~ msgstr "Nov prikaz" #~ msgid "Advanced..." #~ msgstr "Napredno ..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Dolžina:" #~ msgid "Uni&t:" #~ msgstr "Eno&ta:" #~ msgid "periodic units" #~ msgstr "periodične enote" #~ msgid "angstrom" #~ msgstr "angstrem" #~ msgid "bohr radii" #~ msgstr "bohrov radij" #~ msgid "nanometers" #~ msgstr "nanometri" #~ msgid "&Cap with hydrogen" #~ msgstr "&Izrišz z vodiki" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Opravilo je lahko dolgotrajno. V kolikor so uporabne\n" #~ "le atomske koordinate (za kvantno-mehanske izračune),\n" #~ "je dovolj uporabiti le predstavitve z enojnimi vezmi." #~ msgid "Find &double bonds" #~ msgstr "Poišči &dvojne vezi" #~ msgid "Scale (mm/Å):" #~ msgstr "Merilo (mm/Å):" #~ msgid "Calculate Size..." #~ msgstr "Izračun velikosti ..." #~ msgid "Display visual cues" #~ msgstr "Pokaži vodila" #~ msgid "Python Settings" #~ msgstr "Nastavitve Python" #~ msgid "Z Matrix Editor" #~ msgstr "Urejevalnik matrike Z" OpenChemistry-avogadrolibs-ceb949f/i18n/sq.po000066400000000000000000007712641516317240700212550ustar00rootroot00000000000000# Albanian translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2011. # Dillon Schultz , 2021. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Albanian \n" "Language: sq\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:00+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Mbylle" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "I Panjohur" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrogjen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oksigjen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnez" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alumin" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silic" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Squfur" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potas" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanad" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Hekur" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Bakër" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Gjermanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brominë" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teçentium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Argjend" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Kallaj" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cezium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantanum" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodimium" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimium" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Ar" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mërkur" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Plumb" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kurium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Ainshtainium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Laurencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Radhërfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Borium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Rontgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Coperniciumi" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihoniumi" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Fleroviumi" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskoviumi" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermoriumi" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesini" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesoni" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Film Vizatimor" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Detyro" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiketa" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Skedari" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Eksporto" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Shiriti" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Film Vizatimor" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Shtojcat" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importo" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogjen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "skedarë video (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Vilson Gjeci, ,Launchpad Contributions:,Avogadro " "Team,Vilson Gjeci, ,Launchpad Contributions:,Avogadro Team,Vilson " "Gjeci, ,Launchpad Contributions:,Avogadro Team,Vilson Gjeci" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,vilsongjeci@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,vilsongjeci@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,vilsongjeci@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,vilsongjeci@gmail.com" #, fuzzy #~ msgid "&Import..." #~ msgstr "&Importo..." #, fuzzy #~| msgid "Animation..." #~ msgid "Animation Tool" #~ msgstr "Animim..." #, fuzzy #~ msgid "Filename" #~ msgstr "&Skedari" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Importo" #~ msgid "E&xtensions" #~ msgstr "Z&gjatimet" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motorrët" #~ msgid "Axes" #~ msgstr "Boshtet" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Ring" #~ msgstr "Unaza" #~ msgid "Stick" #~ msgstr "Ngjit" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Duke shtuar zgjatimin .avi" #~ msgid "Trajectory..." #~ msgstr "Trajektorja" OpenChemistry-avogadrolibs-ceb949f/i18n/sr.po000066400000000000000000015001531516317240700212420ustar00rootroot00000000000000# Serbian translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # Мирослав Николић , 2012—2016, 2020. # Danial K , 2021. # Nathan , 2021. # Nikola Matić , 2021. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Serbian \n" "Language: sr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Пaketni Posao #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nije navedena poruka." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options izlaz mora biti JSON objekt na najvišem nivou. " "Primljen:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Vraćeno je upozorenje bez niza." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'upozorenja' član nije niz." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referentna datoteka '%1' ne postoji." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Greška pri popunjavanju datoteke %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Datoteka „%1“ je loše formirana. Nedostaju članovi 'contents' ili 'filePath' " "stringa." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Neispravan unos datoteke: naziv datoteke/sadržaj nedostaju ili ne sadrže " "nizove:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Neispravan unos datoteke u indeksu %1: Nije objekat." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' član nije niz." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "nedostaje član 'files'." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' član se ne odnosi na unos u 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' član mora biti string." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Odgovor mora biti JSON objekt na najvišem nivou." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Izlaz skripte:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška raščlanjivanja kod pomaka %L1: ' %2'\n" "Sirovi JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, fuzzy, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri pisanju prikaza molekula u niz: Neprepoznat format datoteke: %1" #: molequeue/inputgenerator.cpp:393 #, fuzzy, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Greška pri pisanju prikaza molekula u niz: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška pri generisanju cjson objekta: Greška raščlanjivanja pri pomaku %1: " "%2\n" "Sirovi JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Generator greške cjson objekt: Raščlanjeni JSON nije objekt:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Generator unosa (greška)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Generator ulaza" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Nastavi" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Затвори" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Nepoznato" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Sledeci fajl je modifikovan:\n" "\n" "%1\n" "\n" "Da li želite da zamenite svoje izmene tako da odražavaju novu geometriju ili " "opcije posla?" msgstr[1] "" "Sledeci fajlovi su modifikovani:\n" "\n" "%1\n" "\n" "Da li želite da zamenite svoje izmene tako da odražavaju novu geometriju ili " "opcije posla?" msgstr[2] "" "Sledeci fajlovi su modifikovani:\n" "\n" "%1\n" "\n" "Da li želite da zamenite svoje izmene tako da odražavaju novu geometriju ili " "opcije posla?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Želite li da zamenite izmenjene ulazne datoteke?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Došlo je do problema tokom generisanja ulaza:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Nema ulaznih datoteka za čuvanje!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Nije moguće povezati se sa MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Nije moguće povezati se sa serverom MoleQueue. Uverite se da radi i " "pokušajte ponovo." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Predloži %1 proračun" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Posao nije uspeo" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Posao nije uspešno završen." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Skripta vraća upozorenja:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Sakrij i upozorenja" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Prikaži i upozorenja" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Došlo je do greške:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Odaberite naziv izlazne datoteke" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Interna greška: nije moguće pronaći tekstualni vidžet za naziv datoteke '%1'" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Izlazna Greška" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Zapisivanje u datoteku %1 nije uspelo." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Izaberite izlazni direktorijum" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktorijum ne postoji!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktorijum se ne može čitati!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Datoteka će biti prepisana." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Datoteka nije za pisanje." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Ulazne datoteke se ne mogu upisati zbog nepoznate greške." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Ulazne datoteke se ne mogu zapisati:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Ulazne datoteke se ne mogu zapisati:\n" "\n" "%1\n" "\n" "Upozorenja:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Upozorenje:\n" "\n" "%1\n" "\n" "Da li želite da nastavite?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Zapišite ulazne datoteke" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Konfigurišite posao" #: molequeue/molequeuedialog.cpp:57 #, fuzzy msgid "Submitting job to MoleQueue…" msgstr "Slanje posla u MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Vremensko ograničenje za predaju posla" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro je istekao čekajući na odgovor od MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, fuzzy, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Čeka se završetak posla %1 “ %2” …" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Prestani čekati" #: molequeue/molequeuedialog.cpp:106 #, fuzzy msgid "Fetching completed job information…" msgstr "Preuzimanje završenih informacija o poslu…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Vremensko ograničenje za pronalaženje posla" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro je istekao u čekanju na detalje o završenom poslu iz MoleQueue -a." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Greška pri predaji posla" #: molequeue/molequeuedialog.cpp:130 #, fuzzy, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue je odbio posao: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nije izabran nijedan program." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Molimo izaberite željeni program sa liste „Red i program“." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Klijent nije uspeo da pošalje posao u MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Unutrašnja greška." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Nije moguće rešiti izbor programa. Ovo je greška." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nijedan molekul nije postavljen u BackgroundFileFormat -u!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nije postavljen „Io::FileFormat“ u „BackgroundFileFormat“-u!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat -u nije postavljeno ime datoteke!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Podeli Horizontalno" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Podeli Vertikalno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Vodonik" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helijum" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litijum" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilijum" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Ugljenik" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Kiseonik" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrijum" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnezijum" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminijum" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicijum" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sumpor" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Hlor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalijum" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcijum" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandijum" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanijum" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadijum" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Hrom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Gvožđe" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikl" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Bakar" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galijum" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanijum" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidijum" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stroncijum" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Itrijum" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Cirkonijum" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobijum" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tehnecijum" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenijum" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodijum" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladijum" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmijum" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indijum" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Kalaj" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesijum" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barijum" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerijum" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Prazeodijum" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodijum" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometijum" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarijum" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europijum" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinijum" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbijum" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprozijum" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmijum" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbijum" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulijum" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Iterbijum" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutecijum" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnijum" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalijum" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renijum" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmijum" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridijum" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Živa" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talijum" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonijum" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francijum" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radijum" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinijum" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torijum" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinijum" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranijum" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunijum" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonijum" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americijum" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Kirijum" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berklijum" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kalifornijum" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Ajnštajnijum" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermijum" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendeljevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelijum" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lorencijum" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Radefordijum" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnijum" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Siborgijum" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Borijum" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hasijum" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Mitnerijum" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmštatijum" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Rentgenijum" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernicijum" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonijum" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovijum" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovijum" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorijum" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Razgledaj" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Izaberi fajl:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Izaberite izvršnu datoteku:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Nije moguće pronaći odgovarajući čitač datoteka za izabranu datoteku." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Nije moguće pronaći odgovarajući pisač datoteka za izabrani format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipulatori" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "manipulator" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "čitači" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "čitaj" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "pisači" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "piši" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Otkriveno je više %1 koji mogu %2 u ovom formatu. Koje treba koristiti?" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Све датотеке" #: qtgui/fileformatdialog.cpp:282 #, fuzzy msgid "All supported formats" msgstr "Svi podržani formati" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Greška pri čitanju prikaza molekula: Neprepoznat format datoteke: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri pisanju prikaza molekula u niz: Neprepoznat format datoteke: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Greška pri pisanju prikaza molekula u niz: %1" #: qtgui/jsonwidget.cpp:101 #, fuzzy msgid "'userOptions' missing." msgstr "'userOptions' nedostaje." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'tzpe' nije niz za opciju '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Baza imena datoteka" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Jezgra Procesora" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Vrsta proračuna" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Теорија" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Osnovno" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Naelektrisanje" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Višestrukost" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Neprepoznat tip opcije „%1“ za opciju „%2“." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Greška pri podešavanju podrazumevane opcije „%1“. Loš tip vidžeta." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Greška pri podešavanju podrazumevane opcije „%1“. Loša podrazumevana " "vrednost:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Greška pri podešavanju podrazumevane opcije „%1“. Nije moguće pronaći važeći " "indeks kombinovanog unosa iz vrednosti:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Nedozvoljeni vidžet u collectOptions za opciju '%1'." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "Nije podešen molekul" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Lopta i štap" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Цртани" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristalne rešetke" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 #, fuzzy msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Likoriš" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površine" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementi simetrije" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van Der Vals" #: qtgui/layermodel.cpp:194 #, fuzzy #| msgid "Van der Waals (AO)" msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van Der Vals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žičani okvir" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Bez naslova" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Kreirajte novi prikaz" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodična Tabla" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Greška pri pokretanju skripte „%1%2“: Isteklo je vreme čekanja na početak " "(%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Greška pri pokretanju skripte ' %1 %2': nije uspelo pisanje na stdin (len = " "%3, upisan %4 bajta, greška QProcess -a: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Greška pri pokretanju skripte „%1%2“: Isteklo je vreme čekanja na završetak " "(%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Greška pri pokretanju skripte ' %1 %2': Abnormalni status izlaska %3 ( %4: " "%5)\n" "\n" "Izlaz:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Pokretanje skripte nije uspelo." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Skripta se srušila." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Isteklo je vremensko razdoblje za skriptu." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Greška pri čitanju." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Greška pri pisanju." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Nepoznata greška." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Dodaj Atom" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Ukloni Atom" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Očisti Atome" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Izmeni Vodonike" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Izmeni Elemente" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Izmeni Element" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Promenite Atom hibridizaciju" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Promenite formalnu naplatu Atom -a" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Promenite boju atoma" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Dodaj Vezu" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Uklonjene Veze" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Obriši Veze" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Poredak Veze" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Izmeni Redosled Veze" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Ispravite Veze" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Ispravite Vezu" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Ukloni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Izmeni ćeliju jedinice" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Prelomi atome na ćeliju" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Skaliraj zapreminu ćelije" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Napravite super ćeliju" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli umanjenje" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Zaokreni na uobičajeno usmerenje" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Umanji na primitivnu ćeliju" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Konvencionalizujte ćeliju" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Simetrizujte ćeliju" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Ispuni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Umanji na asimetričnu jedinicu" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 #, fuzzy msgid "Change Selection" msgstr "Promenite izbore" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifikuj Molekul" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Подешавања" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/3dmol/3dmol.cpp:37 #, fuzzy msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Izvezi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Izgradi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Поравнај" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Поравнајте молекуле\n" "\n" "Лево дугме миша:\tИзаберите до два атома.\n" "\tПрви атом је усредиштен на првобитан положај.\n" "\tДруги атом је поравнат на изабране осе.\n" "Десно дугме миша:\tПоништите поравнање.\n" "Двоструки клик:\tУсредиштите атом на првобитан положај." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Оса:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 #, fuzzy msgid "Center the atom at the origin." msgstr "изабрани атом на порекло." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Поравнајте молекуле на Декартове осе" #: qtplugins/apbs/apbs.cpp:32 #, fuzzy msgid "Run APBS…" msgstr "Pokrenite APBS…" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Otvorite izlaznu datoteku…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Ulaz" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Otvorite izlaznu datoteku" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX Datoteka (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO Greška" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Greška pri čitanju strukture datoteke (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Greška" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Greška pri čitanju OpenDX datoteke: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Greška pri čitanju OpenDX datoteke: Kocka nije pronađena" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interakcija sa uslužnim programima APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Otvorite PDB datoteku" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Datoteke (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Otvorite PQR datoteku" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Datoteke (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Greška" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Greška pri pokretanju APBS -a: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Molimo navedite PDB datoteku" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Uspešno!" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Sačuvajte ulaznu datoteku APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Ulazna datoteka zapisana u '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Ne mogu da sačuvam datoteku „%1“." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Proizvoljna boja…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Element" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Делимично наелектрисање…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "секундарну структуру" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "Аминокиселине" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Спектар" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Primenite šeme boja na atome i ostatke." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Pregled" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Boje atoma" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "Обој према остатку" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Primenite Boje" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Оптимизација" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Metod:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Vremenski korak:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Покрени" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Zaustavi" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "&Prilagodi Geometriju" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekularna Dinamika" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Neprozirnost" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Prikažite višestruke veze" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Prikažite vodonike" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Atome predstavite kao sfere, a veze kao cilindre." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Upravljanje središnjom vezom" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Алат за управљање средишњом везом\t(%1)\n" "\n" "Леви тастер:\tПритисните и превуците да заокренете преглед.\n" "Средњи тастер:\tПритисните и превуците да приближите или удаљите.\n" "Десни тастер:\tПритисните и превуците да преместите преглед.\n" "Двоструки:\tВраћа преглед.\n" "\n" "Леви притисак и превлачење на вези за подешавање равни управљања\n" "Леви притисак и превлачење једног атома у вези за промену угла\n" "Десни притисак и превлачење једног атома у вези за промену дужине" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Управљање средишњом везом." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Alat koji se koristi za uređivanje molekularne geometrije promenom dužina i " "uglova veze." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Vezni Atomi" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Uklonite Veze" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Konfigurišite Vezivanje…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Veza" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Vezivanje" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Izvršite operacije vezivanja." #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Кичма" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Трака" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Цртани" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Додај средиште масе" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Maksimalni udaljenost:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 #, fuzzy msgid "Line width:" msgstr "Širina vrha:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Proširenja" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "&Skripte" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Greška pri čitanju izlazne datoteke „%1“:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Obrada %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Podesite putanju do Python tumača:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Izaberite tumač python-a za pokretanje spoljnih skripti.\n" "Avogadro se mora ponovo pokrenuti da bi sve promene stupile na snagu." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Komandne skripte" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Pokrenite spoljne komande skripti" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Друго…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Угао" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Vrsta" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Атом 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Атом 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Атом 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Атом 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Atomski i koordinatni uređivač …" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Uređivač Dekartovog Koordinatnog sistema" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Uređivanje teksta atomskih koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Želite li da zamenite promene?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Tekstualni dokument je izmenjen. Da li želite da odbacite promene i vratite " "se na trenutni molekul?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Premalo unosa na liniji." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nevažeći naziv elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Naziv elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Nevažeći simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Pokazatelj atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Nevažeći atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Nevažeća koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X Koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y Koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z Koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Greška pri primeni geometrije" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Nije moguće raščlaniti specifikaciju geometrije. Popravite istaknute greške " "i pokušajte ponovo.\n" "\n" "(Savet: Držite miša iznad crvenog teksta za opis greške.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Uređivanje atomskih koordinata" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Proizvoljno" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Koordinate rešetki (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Koordinate rešetki (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Koordinate rešetki (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Ulaz turbomola" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopiraj" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Iseci" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Обриши" #: qtplugins/copypaste/copypaste.cpp:37 #, fuzzy msgid "&Paste" msgstr "Nalepi" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Uredi" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Greška pri isecanju molekula" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Greška pri generisanju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Izlazni format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Greška čitača:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Greška pri lepljenju molekula" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Ne može se nalepiti molekul: Međuspremnik prazan!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Greška pri čitanju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Otkriveni format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopiraj i nalepi" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interakcija sa međuspremnikom." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K ulaz" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Generiši ulaz za CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Energija i sile" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Optimizacija Geometrije" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Metode elektronske strukture (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekularna Mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibridna kvantna klasika (još nije podržana)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NIŠTA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMSKI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "JEZGRO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "GUSTOĆE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "RESTARTUJ_ISTORIJU" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "NASUMIČNO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "RETKO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Konjugirani gradijenti" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Najstrmiji spust" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Ulazna datoteka je izmenjena. Da li želite da zamenite svoje izmene tako da " "odražavaju novu geometriju ili opcije posla?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Želite li da zamenite izmenjenu ulaznu datoteku?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Sačuvajte ulaznu datoteku CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Predložite proračun CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Uvezite kristal iz međuspremnika …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Uključi / isključi ćeliju jedinice" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Izmeni ćeliju jedinice…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Prelomi atome na jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Zaokreni na uobičajeno usmerenje" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Srazmeri ćeliju na &zapreminu…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Izgradi &Super ćeliju…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Umanji ćeliju (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Ukloni &jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Dodaj &jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Uvezite kristal iz međuspremnika" #: qtplugins/crystal/crystal.cpp:176 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Задржи атоме у јединичној ћелији." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli umanjenje kristala" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Jedinična ćelija je već smanjena." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Alati za uređivanje/analizu specifične za kristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Renderirajte granice jediničnih ćelija." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Nije moguće raščlaniti tekst" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Očitavanje podataka u isporučenom formatu nije uspelo." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Nema prisutnih jediničnih ćelija." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Uređivač ćelija jedinice" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 #, fuzzy msgid "Reassign &Custom Elements…" msgstr "Ponovo dodeli &prilagođene elemente …" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulišite prilagođenim tipovima elemenata u trenutnom molekulu." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Prilagođeni elementi" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Диполни момент" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Iscrtaj" #: qtplugins/editor/editor.cpp:76 #, fuzzy, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Алат за цртање\t(%1)\n" "\n" "Леви тастер:\tПритисните и превуците да направите атоме и везе\n" "Десни тастер:\tОбришите атом" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Nacrtaj Atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Promenite tip veze" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Uklonite vezu" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Udaljenost:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Alat za uređivanje" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Automatski" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Jednostruko" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dvostruko" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trostruko" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Uvezi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Kod" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Hemijska struktura za preuzimanje." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Upit za %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Isteklo je vreme mreže ili neka druga greška." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Ne mogu da pronađem navedeni molekul: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Dovuci sa PDB-а" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Preuzmite PDB modele iz Protein Data Banke" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Omogućite vizuelizaciju polja sila za atome molekula." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Konfigurišite…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "Поправи изабране атоме" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Оптимизација поља силе" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatsko otkrivanje (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS ulaz" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generišite ulaz za GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Energija jedne tačke" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Geometrija ravnoteže" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Stanje prelaza" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Učestalost" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Направи ЕФП" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Potencijal jezgra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Ništa" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Jednostruko" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Dvostruko" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Trostruko" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikatjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Katjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Neutralan" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Sačuvajte ulaznu datoteku GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Predložite proračun GAMESS -a" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Doteraj vodonike" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Dodaj vodonike" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Ukloni vodonike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Uklonite sve vodonike" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Dodajte/uklonite vodonike iz trenutnog molekula." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Vodonici" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodonici" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Uvezi iz PQR -a" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Preuzmite molekul iz PQR -a." #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy msgid "DNA/RNA…" msgstr "ДНА/РНА…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Umetni" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Уметни ДНА/РНА…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Урацил" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "Т" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Тимин" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 #, fuzzy msgid "Insert Molecule…" msgstr "Umetni molekul …" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 #, fuzzy msgid "Generating 3D molecule…" msgstr "Generiše se 3D molekul …" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "Уметни ДНА" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Greška pri čitanju datoteke (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Uvezi Kristal" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Umetni odlomak" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Umetni Odlomak" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Umetnite odlomke molekula da izgradite veće molekule." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Боја:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 #, fuzzy msgid "Index" msgstr "Indeks" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Јединствени ИБ" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Ime" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 #, fuzzy msgid "Label editor tool" msgstr "Alat za uređivanje" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&ЛАМПС…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS ulaz" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generišite ulaz za LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Da li želite da ažurirate tekst pregleda, gubeći sve promene izvršene u oknu " "za pregled ulazne ploče Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Neprovidnost:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Atome pretvoriti u likoriš." #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 #, fuzzy msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Nema opisa!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Čitači formata linije nisu pronađeni!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Nije moguće učitati čitač traženog formata." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Učitajte deskriptore jednorednih molekula kroz dijalog za unos." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravljaj" #: qtplugins/manipulator/manipulator.cpp:52 #, fuzzy, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Алат управљања\t(%1)\n" "\n" "Леви тастер:\tПритисните и превуците да преместите атоме\n" "Десни тастер:\tПритисните и превуците да заокренете изабране атоме." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Alat za manipulisanje" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Izmeri" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Дvostrani:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Ugao:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Alatka za merenje" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekularni …" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Pogledajte opšta svojstva molekula." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Svojstva" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Svojstva Molekula" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Својства молекула" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Izvezi CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Datoteke (*.csv);;Sve Datoteke (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Не могу да отворим датотеку за упис." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Izvezi …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigacija" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Алат кретања\t(%1)\n" "\n" "Леви тастер:\tПритисните и превуците да заокренете преглед\n" "Средњи тастер:\tПритисните и превуците да увећате или да умањите\n" "Десни тастер:\tПритисните и превуците да преместите преглед." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Alatka za navigaciju" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Hemijski Naziv" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Mrežne baze podataka" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interakcija sa mrežnim bazama podataka, strukturama upita itd." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Podesi polje sile…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Претрага саобразника…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Spoznaj veze" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj vodonike za pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Ukloni vodonike" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Otvori Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Formati datoteka Open Babel nisu spremni za dodavanje." #: qtplugins/openbabel/openbabel.cpp:206 #, fuzzy msgid "Loading molecule from Open Babel…" msgstr "Učitavanje molekula iz Open Babel -a …" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Došlo je do interne greške: OpenBabel :: readMolecule je pozvan, ali nijedan " "obabel izlaz nije dostupan za raščlanjivanje!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Došlo je do greške pri pokretanju programa Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Greška pri raščlanjivanju openbabel izlaza." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Došlo je do greške pri preuzimanju liste podržanih polja sile. (koristeći " "„%1“)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekul nije važeć. Ne može se optimizirati geometrija." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Ne možete optimizovati geometriju pomoću Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "&Prilagodi Geometriju (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 #, fuzzy msgid "Generating…" msgstr "Generiranje …" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 #, fuzzy msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Došlo je do unutrašnje greške pri generisanju Open Babel prikaza trenutnog " "molekula." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, fuzzy, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Pokretanje %1 …" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Korak %1 od %2\n" "Trenutna energija: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 #, fuzzy msgid "Updating molecule…" msgstr "Ažuriranje molekula …" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Greška pri tumačenju izlaza Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Broj atoma u izlazu obabela (%1) ne odgovara broju atoma u originalnom " "molekulu (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Nije moguće otvoriti datoteku sa Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Nevažeći molekul: Ne može da opazi veze." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Opazivanje Veza (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 #, fuzzy msgid "Generating XYZ representation…" msgstr "Generisanje XYZ predstavljanja …" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Greška pri generisanju XYZ niza." #: qtplugins/openbabel/openbabel.cpp:765 #, fuzzy, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Pretvaranje XYZ u Open Babel sa %1 …" #: qtplugins/openbabel/openbabel.cpp:775 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Ažuriranje molekula iz Open Babel -a …" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Ne možete dodati vodonike sa Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj Vodonike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 #, fuzzy msgid "Generating Open Babel input…" msgstr "Generisanje unosa Open Babel …" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Greška pri generisanju unosa Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, fuzzy, qt-format msgid "Running %1…" msgstr "Pokreće se %1 …" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Dodaj vodonike za pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 #, fuzzy msgid "Generating obabel input…" msgstr "Generiranje obabel unosa …" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Ne možete ukloniti vodonike sa Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Ukloni Vodonike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 #, fuzzy msgid "Reading obabel output…" msgstr "Čitanje Obabel izlaza …" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Već pokrenut Open Babel. Sačekajte da se druga operacija dovrši i pokušajte " "ponovo." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interakcija sa uslužnim programima OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "&OpenMM Izgrađivač Skripte…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM ulaz" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generišite ulaz za OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Da li želite da ažurirate tekst pregleda, gubeći sve promene napravljene u " "oknu za pregled OpenMM ulazne ploče?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Tačno" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Renderirajte referentne ose u uglu ekrana." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Preuzimanje %1 u %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Стање" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Verzija" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Opis" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Улазни генератор" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Plejer" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Kadrovi:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dinamičke veze?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Broj slika:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Pusti" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Паузирај" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Izvezi Bitmap Grafiku" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);;Film (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Upozorenje o podršci za GIF FPS" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF format datoteke ne podržava brzine kadrova veće od 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Film (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Greška: nije moguće dodati okvir u video zapis." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Alatke za plejer" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reprodukujte putanje" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 #, fuzzy msgid "Plot Pair Distribution Function…" msgstr "Funkcija distribucije parcela…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Generisanje PDF uzorka nije uspelo" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Poruka o grešci: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generišite i iscrtajte krivu funkcije raspodele parova." #: qtplugins/plotxrd/plotxrd.cpp:36 #, fuzzy msgid "Plot Theoretical XRD Pattern…" msgstr "Teoretski XRD uzorak …" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Generisanje XRD uzorka nije uspelo" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Pretvaranje molekula u CIF format nije uspelo." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Čini se da su podaci pročitani iz genXrdPattern oštećeni!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Greška: nije moguće pronaći izvršnu datoteku genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Greška: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generišite i iscrtajte teorijski XRD obrazac koristeći ObjCryst ++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Ažuriraj" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Izdvajanje %1 u %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1 datoteka je završeno\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Ekstrakcija je uspela\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Greška pri izdvajanju: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 #, fuzzy msgid "Download Plugins…" msgstr "Preuzmite dodatke…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Preuzmite dodatke" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Preuzmite dodatke iz spremišta GitHub." #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Sačuvaj Datoteku" #: qtplugins/ply/ply.cpp:69 #, fuzzy msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstualna datoteka (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Renderirajte scenu pomoću PLY -a." #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Tekstualni fajl (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Renderirajte scenu koristeći POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Валентност" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "Званично наелектрисање" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Боја" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Започни атом" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Заврши атом" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Поредак везе" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Величина (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 #, fuzzy msgid "Chain" msgstr "Lanci" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "секундарну структуру" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Врхунац" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Угао (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 спирала" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Својства атома…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Својства везе…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Својства угла…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Својства увијања…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Прозори за приказивање својстава атома, везе, угла и увијања." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Својства" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Својства атома" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Својства везе" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Својства угла" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Својства увијања" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Својства саобразника" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renderuje primitive koristeći QTAIM svojstva" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "Molekularni grafikon …" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy msgid "Molecular Graph with Lone Pairs…" msgstr "Molekularni grafikon sa usamljenim parovima …" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Naelektrisanje Atoma…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Otvori WFN Datoteku" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN Datoteke (*.wfn);;Sve Datoteke (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM proširenje" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Kvantni ulaz" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Generišite ulaz za kvantne kodove." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Centar" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Poravnajte pogled prema osama" #: qtplugins/resetview/resetview.cpp:53 #, fuzzy msgid "Align view to axes." msgstr "Poravnajte pogled prema osama." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Resetuj Pregled" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulišite kamerom za pregled." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Formati datoteka skripte" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Učitajte čitač datoteka/pisače iz spoljnih skripti." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Izaberi Sve" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Poništi Izbor" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Obrni selekciju" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "Biraj po elementu …" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Biraj prema Atom indeksu …" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "Odaberite prema ostatku …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Promenite izbore" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Izaberi" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "Biraj elementu" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Odaberite Atome prema indeksu" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomi za izbor:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Odaberite Atome prema ostatku" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Ostaci za izbor:" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "Odaberite ostatku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "&Izaberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Izbor" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 #, fuzzy msgid "Paint Atoms" msgstr "Vezni Atomi" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Alat za selekciju" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy msgid "New Layer" msgstr "Нови слој" #: qtplugins/spacegroup/spacegroup.cpp:60 #, fuzzy msgid "Perceive Space Group…" msgstr "Spoznaj Prostornu Grupu…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Simetrizuj" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Umanji na asimetričnu jedinicu" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "Ispuni jediničnu ćeliju …" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Prostorna Grupa" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Neuspeh" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepcija svemirske grupe nije uspela.\n" "Da li biste želeli da pokušate ponovo sa drugačijom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Primitivno smanjenje" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Tolerancija je trenutno podešena na: %1.\n" "Nastaviti sa ovom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitivno smanjenje nije uspelo.\n" "Proverite kristal i pokušajte ponovo sa drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Konvencionalizacija ćelije nije uspela.\n" "Proverite kristal i pokušajte ponovo sa drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetrizacija nije uspela.\n" "Proverite kristal i pokušajte ponovo sa drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Izaberite toleranciju u Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Međunarodno" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hala" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Herman-Mogen" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Izaberi prostornu grupu" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "ProstornaGrupa" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Karakteristike svemirske grupe za kristale." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Спектар" #: qtplugins/spectra/spectra.h:34 #, fuzzy msgid "Display spectra plots." msgstr "Prikaz spektara." #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Инфрацрвено" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Раман" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "НМР" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Густине стања" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Изабери боју позадине" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Изабери боју првог плана" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Изабери боју прорачунатог спектра" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Изабери боју увезеног спектра" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 #, fuzzy msgid "Wavenumbers (cm⁻¹)" msgstr "Таласни број (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Јакост" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "Помак (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Енергија (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Gustina" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Zapremina" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Стил:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Орбита" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetrija" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "НвЗМО" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "НнСМО" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekularna Orbita" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Gustina Elektrona" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "МО %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Iz Datoteke" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " od %0" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Napravi Površine…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Izračunaj Gustinu Elektrona" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Izračunavanje molekulske orbite %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Film AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Izvezi Film" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Film MP4 (*.mp4);;Film AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Čitajte i iscrtavajte površine." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Renderirajte scenu u SVG datoteci." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Klasa" #: qtplugins/symmetry/symmetry.cpp:39 #, fuzzy msgid "Symmetry…" msgstr "Simetrija…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Obezbedite funkcionalnost simetrije." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Renderujte elemente simetrije." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grupa %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Jednostavan prikaz VdW sfera." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Pokreni Animaciju" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Zaustavi Animaciju" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy msgid "Vibrational Modes…" msgstr "Režimi vibracija…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Вибрација" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy msgid "Display vibrational modes." msgstr "Prikaz vibracionih režima." #: qtplugins/vrml/vrml.cpp:29 #, fuzzy msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstualna datoteka (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderirajte scenu pomoću VRML -a." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Predstavi molekul kao žičani okvir." #: qtplugins/yaehmop/yaehmop.cpp:90 #, fuzzy msgid "Calculate Band Structure…" msgstr "Izračunaj strukturu opsega …" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Ne može se izračunati struktura pojasa: nema jedinične ćelije!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, fuzzy, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Izvršavanje Yaehmop-a nije uspelo sa sledećom greškom:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Očitavanje izlaza strukture opsega sa Yaehmop-a nije uspelo!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "U izlazu Yaehmop-a pronađena je samo jedna posebna k tačka! Potrebna su dva " "ili više!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "%1 није успео да се покрене" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop ulaz" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Izvršite proširene Hückelove proračune sa yaehmopom." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dijalog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Oblik" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Postavke izračunavanja" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy msgid "Placeholder text…" msgstr "Tekst čuvara mesta …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Resetuj" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy msgid "Debug Script…" msgstr "Otkrivanje grešaka …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy msgid "Submit Calculation…" msgstr "Predloži proračun …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Sačuvaj ulaznu datoteku…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Red i program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Osveži" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Broj jezgara procesora koji treba rezervisati za ovaj " "posao.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Jezgra procesora:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Obrišite udaljene radne datoteke po završetku posla. " "Rezultati će se i dalje prvo kopirati u lokalnu predmemoriju poslova " "MoleQueue..

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Izbrišite udaljene datoteke kada završite:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Potvrdite izbor da biste sprečili da se ovaj posao " "podrazumevano prikazuje u grafičkom interfejsu MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Sakrij posao u MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Prikažite sistemsko iskačuće obaveštenje kada se " "status posla promeni.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Prikaži obaveštenja o napretku:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Otvorite izlaz kada završite:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Preimenujte elemente" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Umetni odlomak…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Unesite ime ili deo imena da biste prikazali samo datoteke koje se " "podudaraju." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Umetni" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML isečak" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Kopiraj u međuspremnik" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Struktura Ulazne datoteke" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generiši ulaz iz PDB -a" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje Sile:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "RAŠČLANITI" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Pokrenite PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Učitajte postojeću PQR datoteku" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR Datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS ulazna datoteka" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Sačuvaj ulaznu datoteku" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Pokrenite APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspešno!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Učitaj strukturu datoteke" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Učitaj datoteku kocke" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Делимично наелектрисање" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerancija udaljenosti:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimalna udaljenost:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Додај ограничења" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Vrsta:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Додај" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "U redu" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Uređivač koordinata" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Unapred podešeno:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Jedinica udaljenosti:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Specifikacija formata. Svaki znak označava vrednost " "koju treba zapisati po atomu:

#- Atom indeks (1, 2, ..., numAtoms)
Z- atomski broj (npr. \"6\" za ugljenik)
G- atomski broj u stilu GAMESS (npr. " "„6,0“ za ugljenik)
N- naziv " "elementa (npr. „Ugljenik“)
S- " "simbol elementa (npr. \"C\" za ugljenik)
x - X position coordinate
y- Y koordinata pozicije
z - Z koordinata pozicije
a- 'a' koordinata rešetke (samo kristali)
b - 'b' koordinata rešetke (samo " "kristali)
c - 'c' koordinata " "rešetke (samo kristali)
_- " "Doslovni prostor (\"\"), koristan za poravnavanje
0 - Bukvalno 0 (\"0\"), korisno za zastavice " "optimizacije
1- Bukvalno 1 " "(\"1\"), korisno za zastavice optimizacije

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Nalepi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Povrati" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Očisti" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Primeni" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Ulaz" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Povrati Sve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Osnovno" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Sačuvaj Datoteku…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Osnovna Podešavanja" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Baza imena datoteka:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "Posao" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Izračunaj:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Osnova:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funkcionalno" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD tip" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TAČNO" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF POGODAK" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Ekstenzija datoteke za konverziju Open Babel (podrazumevano - Avogadro :: " "POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametri superćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcije Super Ćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A Ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B Ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C Ponavljanje:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Ćelijska matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Frakciona matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformiši Atome" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Primeni" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Povratiti" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sakrij" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Promeni zapreminu jedinične ćelije" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Nova &Zapremina:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Faktor za skaliranje:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Trenutna Zapremina:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Natpis Teksta" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Poredak Veze:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametri optimizacije geometrije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriterijumi konvergencije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Energy convergence:" msgstr "Konvergencija energije:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Ograničenje koraka:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " jedinice" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " koraci" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metod optimizacije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Polje sile:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Automatska detekcija" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS ulaz" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "u:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Višestrukost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Sa:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naelektrisanje:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy msgid "Import From PQR…" msgstr "Uvezi iz PQR -a…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Pretraga" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "naziv" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "oznaka" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Pretraga po: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Preuzimanje" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ime:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Уметни нуклеинске киселине" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Градилац ДНА/РНА" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ДНА" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "РНА" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Нуклеинске киселине:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Аденин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Цитозин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Гуанин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Низ:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "број парова базе по завоју спирале" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Друго" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Бр. база по спирали:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Снопови:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Jednostruko" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dvostruko" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Аланин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ала" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Аргинин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Арг" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Аспарагин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Асн" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Аспарагинска киселина" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Асп" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Цистеин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Цис" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Глутаминска киселина" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Глу" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Глутамин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Глн" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Глицин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Гли" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Хистидин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "Хис" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Изолеуцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Иле" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Валин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Вал" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Тирозин" # #-#-#-#-# goffice.po (gnumeric 1.2) #-#-#-#-# # Question for autor: Is this Y like YES? #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Тир" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Триптофан" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Трп" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Треонин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Тр" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Серин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Сер" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Пролин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Фенилаланин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Фе" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Метионин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Мет" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Лизин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Лиз" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Леуцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Леу" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Низ (N до C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Стереохемија:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N свршетак:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C свршетак:" # #-#-#-#-# dia.po (dia) #-#-#-#-# # Translators: Menu item Verb/Support/Secure #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Структура:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Прав ланац" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Број ланца:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Број ланца за нови пептид" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Ulaz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Unesite komentare datoteke" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Odaberite stil jedinice koji će se koristiti tokom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Jedinice" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencijal vode" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Izaberite izgled atoma koji koristi datoteka podataka." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Izgled Atoma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ugao" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomska" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "veza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "naelektrisanje" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "puna" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekularan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "talasni paket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Navedite ime koje će se koristiti za datoteku koordinata." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Datoteka koordinatnih podataka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ansembl" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Izaberite broj Nosé-Hoover lanaca u ansamblu NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Lanci" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Vremenski korak za simulaciju u jedinicama prema specifikaciji \"Jedinice\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Korak vremena" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Naziv „XYZ“ datoteke za upis u toku simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Ispiši „XYZ“" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Broj dimenzija u sistemu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimenzije" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Promeni izgled Z granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Promeni izgled Y granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Promeni izgled X granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy msgid "Select boundary Styles in X, Y and Z directions." msgstr "Izaberite izglede granice u pravcima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Granica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Broj udvostručenih u pravcima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Udvostruči" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Udvostruči X pravac." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Udvostruči Y pravac." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Udvostruči Z pravac." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Ukupan broj vremenskih koraka za pokretanje simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Ukupno koraka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Period ispisivanja" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Podesite početne brzine atoma za simulaciju." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Početne brzine" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Izaberite raspodelu početnih brzina atoma." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gausova" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "jednolična" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Podesite početne brzine atoma da odgovaraju ovoj temperaturi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Uklonite linijski momentum sistema iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Nulti linijski momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Uklonite ugaoni momentum sistema iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nulti ugaoni momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Upravljajte termodinamičkim izlazom za vreme simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Izlaz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Period izlaza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Izgled termodinamičkog izlaza." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Jedna Linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Više Linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Koristi obrazac" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Generate…" msgstr "Generiši…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptori:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Преведи преко:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Окрећи око:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Порекло" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X осе" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y осе" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z осе" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Претрага саобразника" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Начин" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Број саобразника:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Претрага организованог ротора" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Претрага насумичног ротора" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Претрага тежинског ротора" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Претрага генетског алгоритма" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Опције генетског алгоритма" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Children:" msgstr "Потпроцеси:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Mutability:" msgstr "Променљивост:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Konvergencija:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy msgid "Scoring method:" msgstr "Начин вредновања:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritam optimizacije:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tehnika pretraživanja linija:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Najstrmiji spust" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjugatni gradijent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Jednostavno" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Njutonova Metoda" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Ograničite neobavezne interakcije" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Granična udaljenost Van der Valsa:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Učestalost ažuriranja para:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "elektrostatičko granično rastojanje:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Konvergencija \"energije\":" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Izgrađivač Skripte" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Scenarij posla:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "skripta" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Ulazni koordinat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Ulazna topologija:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Polje sile:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Model vode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicitni rastvarač (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Preciznost:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "Jednostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "pomešano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "Dvostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indeks uređaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indeks platforme OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Metoda bez veza:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "BezOdsecanja" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "OdsecanjeNePeriodično" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "OdsecanjePeriodično" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerancija:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HVeze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "SveVeze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HUglovi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolerancija ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Kruta voda?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Netačno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nevezan prekid:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Slučajna početna brzina:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temperatura generacije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "PromenjivaLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "PromenjivaVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolerancija grešaka:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Stopa sudara:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Karlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pritisak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostatski interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporteri:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval izveštaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy msgid "Equilibration Steps:" msgstr "Koraci ravnoteže:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Koraci proizvodnje:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizirati?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maks. Koraci Minimiziranja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData opcije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Indeks koraka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Vreme" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Brzina" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potencijalna Energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetička Energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Ukupna Energija" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opcije PDF grafikona" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maksimalni radijus:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Korak (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opcije teorijskog XRD uzorka" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

Proširenje vrha u osnovi (u stepenima).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

Maksimalna 2theta vrednost u stepenima.

Podrazumevano: 162.00 °

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

Širenje vrhova u osnovi u stepenima.

Podrazumevano: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Broj bodova:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Talasna Dužina:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Talasna dužina rendgenskog zraka u Angstromu.

Podrazumevano: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Broj 2theta poena za generisanje.

Podrazumevano: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Preuzmi Izabrano" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Poluprečnik kritične tačke:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Poluprečnik putanje veze:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentna" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Stalna Veličina" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Primeni Boju" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy msgid "Scale Factor:" msgstr "Чинилац сразмере:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Изглед" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Увезени спектар:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Прикажи" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Позадина:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Израчунати спектар:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Извези податке" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Затвори" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Контроле:\n" "Двоструки леви тастер: Враћа основна ограничења осе\n" "Десни тастер + превлачење: Премешта графикон\n" "Средњи тастер + превлачење: Зумира област\n" "Окретање точкића: Зумира на курзор" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Квалитет: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Veoma niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Vrlo visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Napravi Površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Površina:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Oboj prema:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "Електростатички потенцијал" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rezolucija:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Vrednost &Isopovršine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Светло" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #, fuzzy msgid "Record Movie…" msgstr "Snimi film…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Simetrično ekvivalentni atomi:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Simetrija zaključavanja" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operacije" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementi simetrije:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Podgrupe" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Podgrupe:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerancija:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Usko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normalno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Labavo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Veoma labavo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Otkrij Simetriju" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Centar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Званично наелектрисање:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "1: Linear" msgstr "Линеарно" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy msgid "2: Linear" msgstr "Линеарно" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "iz međuspremnik" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupa" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupa:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Režimi vibracija" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplituda:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Veza" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Pre nego što označite ovu kućicu, trebalo bi da znate " "nivo Fermija. Fermijev nivo možete otkriti tako što ćete izvršiti proračun " "gustine stanja i prikazati podatke (on će biti na vrhu podataka). Osim toga, " "ako se izvrši proračun gustine stanja, Fermijev nivo će se ovde automatski " "postaviti na ono što je otkriveno tokom izračunavanja gustine stanja.

Ako je ovo polje označeno, proverite da li je u spinboku sa desne " "strane postavljen ispravan nivo Fermija.

Podrazumevano: isključeno" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Zaplet Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Podesiti energije tako da nula bude Fermi? Dostupno " "samo ako iscrtavamo nivo Fermija.


Podrazumevano: " "isključeno

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nula Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "# of k-points connecting special k-points:" msgstr "Broj k-tačaka koje povezuju posebne k-tačke:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Posebne k-tačke" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Nivo Fermija

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Unesite posebne k-tačke kao takve:

L 0.5 0.5 " "0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

To je,<symbol> " "<x> <y> <z> gde su k, y i z frakcijske koordinate " "recipročnog prostora. Linije će biti povučene koje povezuju ove k-tačke na " "grafikonu redosledom kojim ste ih uneli. Imajte na umu da orijentacija vaše " "ćelije može imati uticaj na lokacije ovih tačaka recipročnog prostora.

Ako je svemirska grupa kristala opažena ili postavljena, posebne k " "tačke će se automatski popuniti primitivnim ćelijama sa visokom simetrijom " "za tu grupu prostora. Postoji nekoliko grupa razmaka sa različitim tačkama " "visoke simetrije u zavisnosti od rešetke (na primer ako je a > b ili a " "< b)- to se automatski uzima u obzir.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Unesite broj k-tačaka koje će povezivati posebne k-" "tačke. Više ovih k-tačaka će izravnati grafikon, ali proračun može potrajati " "duže.

Podrazumevano: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Ograničiti y-raspon na grafikonu?

Podrazumevano: " "isključeno

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Ograničiti y-raspon?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Broj periodičnih dimenzija.


Ako je " "ovo podešeno na 1, materijal će biti periodičan samo duž A vektora kristala." "


Ako je ovo podešeno na 2, materijal će biti periodičan " "duž A i B vektora kristala.


Ako je ovo postavljeno na 3, " "materijal će biti periodičan duž vektora A, B i C kristala.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Prikazati Yaehmop ulaz?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Doprinosioci nа „Launchpad“-u:Danilo Nušić,Nikola Petković,Ivan " "Starčević,Miroslav Nikolić,Nikola M" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "\"miroslavnikolic@rocketmail.com\",\"ivanstar61@gmail.com\"," "\"nikolamatic225@gmail.com\"" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Opcija '%1' se ne odnosi na objekat." #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Greška: vrednost mora biti objekat za ključ '%1'." #, fuzzy #~ msgid "Edit Color Opacity Map…" #~ msgstr "Izmeni boju mape neprozirnosti…" #~ msgid "ColorOpacityMap" #~ msgstr "ColorOpacityMap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Uredite mape neprozirnosti boja, prvenstveno za iscrtavanje volumena." #~ msgid "Volume Rendering" #~ msgstr "Renderirajte Volum" #~ msgid "Cube" #~ msgstr "Kocka" #~ msgid "Enable volume rendering" #~ msgstr "Omogućite renderiranje voluma" #~ msgid "Enable surface rendering" #~ msgstr "Omogućite renderiranje površine" #~ msgid "Isovalue" #~ msgstr "Isovalue" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, fuzzy, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Uglovi:" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "Otkaži" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(очекујем)" #~ msgid "Reference Axes Overlay" #~ msgstr "Preklapanje referentnih osa" #~ msgid "Meshes" #~ msgstr "Mreže" #, fuzzy #~ msgid "Plot RMSD curve…" #~ msgstr "Iscrtajte krivu RMSD …" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Generišite i iscrtajte RMSD krivu." #~ msgid "Max 2*theta:" #~ msgstr "Max 2*theta:" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Прозори за приказивање својстава атома, везе, угла и увијања." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Поравнајте молекуле\n" #~ "\n" #~ "Лево дугме миша: \tИзаберите до два атома.\n" #~ "\t Први атом је усредиштен на првобитан положај.\n" #~ "\t Други атом је поравнат на изабране осе.\n" #~ "Десно дугме миша: \tПоништите поравнање.\n" #~ "Двоструки клик: \tУсредиштите атом на првобитан положај." #~ msgid "&Analysis" #~ msgstr "&Analitički" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "&Увези..." #~ msgid "Set Color..." #~ msgstr "Подеси боју..." #~ msgid "&Export..." #~ msgstr "&Извези..." #~ msgid "&Load data..." #~ msgstr "&Учитај податке..." #, fuzzy #~ msgid "eV)" #~ msgstr " eV" #~ msgid "Partial Charge" #~ msgstr "Делимично наелектрисање" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Алат за управљање средишњом везом\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да заокренете преглед.\n" #~ "Средњи тастер: Притисните и превуците да приближите или удаљите.\n" #~ "Десни тастер: \tПритисните и превуците да преместите преглед.\n" #~ "Двоструки: \tВраћа преглед.\n" #~ "\n" #~ "Леви притисак и превлачење на вези за подешавање равни управљања:\n" #~ "Леви притисак и превлачење једног атома у вези за промену угла\n" #~ "Десни притисак и превлачење једног атома у вези за промену дужине" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Алат за цртање (Ф8)\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да направите атоме и везе\n" #~ "Десни тастер: \tОбришите атом" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Притисните да измерите (Ф12)\n" #~ "\n" #~ "Леви тастер: \tИзаберите до три атома.\n" #~ "\t\tРастојања се мере између 1-2 и 2-3\n" #~ "\t\tУгао се мери између 1-3 а 2 заједничка тачка\n" #~ "Десни тастер: \tВраћа мерења.\n" #~ "Двоструки: \tВраћа преглед." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Алат кретања (Ф9)\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да заокренете преглед\n" #~ "Средњи тастер: Притисните и превуците да увећате или да умањите\n" #~ "Десни тастер: \tПритисните и превуците да преместите преглед.\n" #~ "Двоструки: \tВраћа преглед." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Анимација" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Алат управљања (Ф10)\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да преместите атоме\n" #~ "Средњи тастер: Притисните и превуците да удаљите атоме или да их " #~ "прибижите\n" #~ "Десни тастер: \tПритисните и превуците да заокренете изабране атоме.\n" #~ "Двоструки: \tВраћа преглед." #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Jednostavan prikaz VdW sfera sa ambijentalnom okluzijom." #~ msgid "Geometry" #~ msgstr "Геометрија" #~ msgid "Add Unit Cell" #~ msgstr "Dodajte jedinčnu ćeliju" #~ msgid "By Atomic Index" #~ msgstr "Pokazatelj atoma" #, fuzzy #~ msgid "By Distance" #~ msgstr "Udaljenost:" #, fuzzy #~| msgid "Select by Atom Index..." #~ msgid "Select Water…" #~ msgstr "Biraj prema Atom indeksu ..." #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopiraj" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "ЈУПАК назив молекула:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekularna masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Hemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of Bonds:" #~ msgstr "Broj veza:" #~ msgid "TODO" #~ msgstr "URADITI" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Širina vrha:" #, fuzzy #~ msgid "In." #~ msgstr "u:" #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS ulaz (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Izaberite tumač python-a koji se koristi za pokretanje skripti generatora " #~ "ulaza.\n" #~ "Avogadro se mora ponovo pokrenuti da bi sve promene stupile na snagu." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Podesi Python putanju ..." #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Одломци" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funkcionalno" #~ msgid "Help..." #~ msgstr "Pomoć..." #~ msgid "Submit Calculation..." #~ msgstr "Predloži proračun ..." #~ msgid "Save File..." #~ msgstr "Sačuvaj Datoteku..." #~ msgid "Download Plugins..." #~ msgstr "Preuzmite dodatke ..." #~ msgid "Record Movie..." #~ msgstr "Snimi film..." #~ msgid "Other..." #~ msgstr "Drugo..." #~ msgid "Client server operations." #~ msgstr "Operacije klijentskog servera." #~ msgid "S&erver" #~ msgstr "S&erver" #~ msgid "Connection failed" #~ msgstr "Veza nije uspostavljena" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "Veza sa %2: %3 nije uspela: veza je odbijena." #~ msgid "Remote service error" #~ msgstr "Greška u daljinskom servisu" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Veza nije uspela sa: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Klijent server" #~ msgid "Connection refused" #~ msgstr "Konekcija je odbijena" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Povezivanje sa %2: %3 je uspelo!" #~ msgid "Filename" #~ msgstr "Naziv datoteke:" #~ msgid "Formula" #~ msgstr "Formula" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "Mongo Chem Server" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interfejs sa Mongo Chem serverom." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Učitaj strukturu datoteke" #~ msgid "Server settings" #~ msgstr "Podešavanja servera" #~ msgid "&Hostname:" #~ msgstr "&Ime hosta:" #~ msgid "Port" #~ msgstr "Port" #~ msgid "Test C&onnection..." #~ msgstr "Test K&onekcije..." #~ msgid "Look in:" #~ msgstr "Pogledaj u:" #~ msgid "Navigate Back" #~ msgstr "Navigacija nazad" #~ msgid "Navigate Forward" #~ msgstr "Navigacija napred" #~ msgid "Navigate Up" #~ msgstr "Navigacija gore" #~ msgid "File name:" #~ msgstr "Ime datoteke:" #~ msgid "Files of type:" #~ msgstr "Datoteke tipa:" #~ msgid "MongoChem Config" #~ msgstr "MongoChem Konfiguracija" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API Ključ:" #~ msgid "Base URL:" #~ msgstr "Osnovni URL:" #~ msgid "Config" #~ msgstr "Konfiguracija" #~ msgid "Upload" #~ msgstr "Otpremiti" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Jedinstvenost" #~ msgid "Container:" #~ msgstr "Kontejner:" #~ msgid "Image:" #~ msgstr "Slika:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"theory\": \"dft\",

\n" #~ "

\"functional\": \"b3lyp\",

\n" #~ "

\"basis\": \"6-31g\",

\n" #~ "

\"task\": \"energy\"

\n" #~ "

}

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

{

\n" #~ "

\"teorija\": \"dft\",

\n" #~ "

\"funkncionalno\": \"b3lyp\",

\n" #~ "

\"osnovno\": \"6-31g\",

\n" #~ "

\"zadatak\": \"energija\"

\n" #~ "

}

" #~ msgid "Input Parameters:" #~ msgstr "Ulazni parametri:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Naziv elementa." #~ msgid "'c' coordinate." #~ msgstr "'c' koordinata." #~ msgid "All files (*);;" #~ msgstr "Sve datoteke (*);;" #~ msgid "Error: could not find yaehmop executable!" #~ msgstr "Greška: nije moguće pronaći izvršnu datoteku yaehmop-a!" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Ромбоедарска" #, fuzzy #~ msgid "Layer" #~ msgstr "Plejer" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Umetni molekul ..." #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "Generiše se 3D molekul ..." #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Datoteka postoji i nije za pisanje." #, fuzzy #~ msgid "Simple display of Cartoons family." #~ msgstr "Jednostavan prikaz VdW sfera." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Greška pri tumačenju obabel CML izlaza." #~ msgid "Error generating CML data." #~ msgstr "Greška pri generisanju CML podataka." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "Pokrenite APBS" #, fuzzy #~ msgid "Open Output File..." #~ msgstr "Otvorite izlaznu datoteku" #~ msgid "Edit Unit Cell..." #~ msgstr "Izmeni ćeliju jedinice ..." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&ГАМЕСС-УК..." #~ msgid "&Import From PQR" #~ msgstr "&Uvezi iz PQR -a" #~ msgid "Fragment..." #~ msgstr "Odlomak..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Кристал..." #, fuzzy #~ msgid "Write" #~ msgstr "piši" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "InChI..." #~ msgstr "InChI..." #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj vodonike za pH..." #~ msgid "Atom Properties..." #~ msgstr "Својства атома..." #~ msgid "Bond Properties..." #~ msgstr "Својства везе..." #~ msgid "Angle Properties..." #~ msgstr "Својства угла..." #~ msgid "Torsion Properties..." #~ msgstr "Својства увијања..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Својства молекула..." #~ msgid "Create Surfaces..." #~ msgstr "Napravi Površine..." #~ msgid "Symmetry..." #~ msgstr "Simetričnost..." #~ msgid "&Exit" #~ msgstr "&Izlaz" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "Umetni odlomak..." #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opcija „%1“ nije pronađena u userOptions." #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' nedostaje ili nije objekt:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teorija:" #~ msgid "Default value missing for option '%1'." #~ msgstr "Podrazumevana vrednost nedostaje za opciju „%1“." #~ msgid "Distance: %L1 Å" #~ msgstr "Rastojanje: %L1 Å" #~ msgid "&LAMMPS Input" #~ msgstr "&LAMMPS Ulaz" #~ msgid "Reset to Default Values" #~ msgstr "Vrati na podrazumevane vrednosti" #~ msgid "Write files to disk..." #~ msgstr "Zapišite datoteke na disk ..." #~ msgid "Rotatable" #~ msgstr "Заокретљив" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Саобразник %1\n" #~ "Дужина %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Саобразник %1\n" #~ "Угао %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Угао %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Саобразник %1\n" #~ "Увијање %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Увијање %1" #~ msgid "Torsion" #~ msgstr "Увијање" #~ msgid "Energy (kJ/mol)" #~ msgstr "Енергија (kJ/mol)" #~ msgid "Yes" #~ msgstr "Да" #~ msgid "No" #~ msgstr "Не" #, fuzzy #~ msgid "Import" #~ msgstr "Увези" #~ msgid "Insert SMILES" #~ msgstr "Уметни ПЛУМУС" #~ msgid "Insert SMILES fragment:" #~ msgstr "Уметни ПЛУМУС одломак:" #~ msgid "Insert Crystal" #~ msgstr "Уметни кристал" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Уметните одломке молекула да изградите веће молекуле" #~ msgid "E&xtensions" #~ msgstr "П&роширења" #~ msgid "Symmetry Properties..." #~ msgstr "Својства симетрије..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Прилагоди геометрију" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Оптимизација геометрије" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Додај водонике" #, fuzzy #~ msgid "Stopped" #~ msgstr "Заустави" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Површине" #~ msgid "Color by Index" #~ msgstr "Обој према попису" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Обојте према попису (црвена, наранџаста, жута, зелена, плава, љубичаста)." #~ msgid "Color by Partial Charge" #~ msgstr "Обој према делимичном наелектрисању" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Обојте према атомском делимичном наелектрисању (плава = позитивно, црвена " #~ "= негативно)." #~ msgid "Custom Color:" #~ msgstr "Произвољна боја:" #~ msgid "Set custom colors for objects" #~ msgstr "Подесите произвољне боје за објекте" #~ msgid "Color by Distance" #~ msgstr "Обој према растојању" #~ msgid "Color by distance from the first atom." #~ msgstr "Обојте према растојању од првог атома." #~ msgid "Color by Element" #~ msgstr "Обој према елементу" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Обојте према елементу (угљеник = сива, кисеоник = црвена, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Обојте према остатку (врсти амино киселине, хидрофобности, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Шаблон ПАМЕТНИХ:" #~ msgid "Highlight Color:" #~ msgstr "Боја истицања:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Обојте према шаблону ПАМЕТНИХ" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Истакните нарочите функције које одговарају шаблону ПАМЕТНИХ." #~ msgid "Ununtrium" #~ msgstr "Унунтријум" #~ msgid "Ununpentium" #~ msgstr "Унунпентијум" #~ msgid "Ununseptium" #~ msgstr "Унунсептијум" #~ msgid "Ununoctium" #~ msgstr "Унуноктијум" #~ msgid "Engines" #~ msgstr "Погони" #~ msgid "Axes" #~ msgstr "Осе" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Исцртајте x, y, и z осе на почетку" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Исцртајте примитивне користећи куглице (атоми) и штапиће (везе)" #~ msgid "Dipole" #~ msgstr "Дипол" #~ msgid "Hydrogen Bond" #~ msgstr "Хидроксилна веза" #~ msgid "Renders hydrogen bonds" #~ msgstr "Исцртајте хидроксилне везе" #~ msgid "Select Atom Labels Color" #~ msgstr "Изабери боју натписа атома" #~ msgid "Select Bond Labels Color" #~ msgstr "Изабери боју натписа везе" #~ msgid "Select Bond Labels Font" #~ msgstr "Изабери слова натписа везе" #~ msgid "Polygon" #~ msgstr "Полигон" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Исцртајте атоме као тетраедре, октаедре, и друге полигоне" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Исцртајте кичме протеина као траке" #~ msgid "Ring" #~ msgstr "Прстен" #~ msgid "Renders rings with colored planes" #~ msgstr "Исцртајте прстенове са обојеним равнима" #~ msgid "Simple Wireframe" #~ msgstr "Једноставан жичани оквир" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Исцртајте везе као жице (линије), идеално за велике молекуле" #~ msgid "Van der Waals Spheres" #~ msgstr "Ван дер Валсове сфере" #~ msgid "Stick" #~ msgstr "Штапић" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Густина електрона, исоповрш = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, исоповрш = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Исцртајте везе као жице (линије), идеално за врло велике (био)молекуле" #~ msgid "Trajectory files" #~ msgstr "Датотеке трајекторије" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Датотеке ДЛ-ПОЛИ ИСТОРИЈАТА" #~ msgid "Open Trajectory File" #~ msgstr "Отвори датотеку трајекторије" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Додајем „.avi“ проширење" #~ msgid "Animation..." #~ msgstr "Анимација..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Не могу да прочитам облик датотеке за датотеку %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Нисам успео да прочитам датотеку трајекторије %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Морате да наведете исправан назив „.avi“ датотеке" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "ГЛ елемент није исправно покренут да би се сачувао снимак" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Неисправан назив датотеке снимка. Морате да наведете читаву путању " #~ "директоријума" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Неисправан назив датотеке снимка. Морате да наведете читаву путању " #~ "директоријума и назив, који се завршава на „.avi“" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Не могу да утврдим облик из назива датотеке: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Дочарајте трајекторије, реакције, и вибрације." #~ msgid "Cartesian Editor" #~ msgstr "Декартов уређивач" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Није одређена јединична ћелија за молекул —— не могу да користим " #~ "децималне координате." #~ msgid "Cartesian Editor..." #~ msgstr "Декартов уређивач..." #~ msgid "Cartesian editor" #~ msgstr "Декартов уређивач" #~ msgid "Number of atoms: %1" #~ msgstr "Број атома: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Број заокретљивих веза: %1" #~ msgid "Add constraint" #~ msgstr "Додај ограничење" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање један атом да бисте додали ограничење" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање два атома да бисте додали ограничење " #~ "везе" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање три атома да бисте додали ограничење " #~ "угла" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање четири атома да бисте додали " #~ "ограничење увртања" #~ msgid "&Crystallography" #~ msgstr "&Кристалографија" #~ msgid "&Reduce" #~ msgstr "&Умањи" #~ msgid "&Length Unit" #~ msgstr "Јединица &дужине" #~ msgid "&Angle Unit" #~ msgstr "Јединица &угла" #~ msgid "&Coordinate Display" #~ msgstr "Приказ &координата" #~ msgid "Coordinate &Preservation" #~ msgstr "&Очување координата" #~ msgid "&Matrix Display" #~ msgstr "Приказ &матрице" #~ msgid "Hide &Editors" #~ msgstr "Сакриј &уређиваче" #~ msgid "Show &Editors" #~ msgstr "Прикажи &уређиваче" #~ msgid "Hide &Property Display" #~ msgstr "Сакриј приказ &особина" #~ msgid "Show &Property Display" #~ msgstr "Прикажи приказ &особина" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Врста решетке: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Просторна група: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Запремина јединичне ћелије: %L1%2" #~ msgid "Undefined" #~ msgstr "Неодређено" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Триклинична" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Моноклинична" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Орторомбна" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Тетрагонална" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Хексагонална" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Кубична" #~ msgid "Paste Crystal" #~ msgstr "Убаци кристал" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Ниглијево умањење није успело. Решетка улазне структуре је та која " #~ "збуњује алгоритам Ниглијевог умањења. Покушајте да створите мале сметње " #~ "(приближно 2 реда магнитуде мање од толеранције) на улазним решеткама и " #~ "покушајте поново." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Нисам успео да умањим ћелију након 1000 понављања алгоритма умањивања. " #~ "Заустављам." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Заокрени на уобичајено &усмерење" #~ msgid "&Slab..." #~ msgstr "&Табла..." #~ msgid "Perceive Space&group..." #~ msgstr "Спознај просторну &групу..." #~ msgid "Set &Spacegroup..." #~ msgstr "Подеси просторну &групу..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Испуни јединичну ћелију" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Испуните јединичну ћелију користећи текућу просторну групу." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Умањи на &асиметричну јединицу" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Уклоните атоме на подударним положајима (супротно испуњавању јединичне " #~ "ћелије)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Симетриши &кристал" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Умањи ћелију (&Примитива)" #~ msgid "&Bohr" #~ msgstr "&Бор" #~ msgid "&Nanometer" #~ msgstr "&Нанометар" #~ msgid "&Picometer" #~ msgstr "&Пикометар" #~ msgid "&Degree" #~ msgstr "&Степен" #~ msgid "&Radian" #~ msgstr "&Радијан" #~ msgid "Display &cartesian coordinates" #~ msgstr "Прикажи &Декартове координате" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Очувај &Декартове координате за време измене ћелије" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Очувај &разломачке координате за време измене ћелије" #~ msgid "Display &cartesian matrix" #~ msgstr "Прикажи &Декартову матрицу" #~ msgid "Display &fractional matrix" #~ msgstr "Прикажи &разломачку матрицу" #~ msgid "Display as &row vectors" #~ msgstr "Прикажи као векторе &реда" #~ msgid "Display as &column vectors" #~ msgstr "Прикажи као векторе &колоне" #~ msgid "&Crystal View Options..." #~ msgstr "Опције прегледа &кристала..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Спознана просторна група %1, Халов симбол %2, Херман-Могенов симбол %3." #~ "

Ћелија се може симетризовати према уобичајеном подешавању, да ли " #~ "желите то да урадите? Радње које користе симетрију (нпр. градитељ супер " #~ "ћелије) то захтевају." #~ msgid "Set Spacegroup" #~ msgstr "Подеси просторну групу" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Не постоји подешена просторна група за овај документ.\n" #~ "\n" #~ "Да ли желите сада да подесите просторну групу?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Откривена је просторна група П1 —— не могу да симетризујем на ту " #~ "просторну групу.\n" #~ "\n" #~ "Да ли желите да покушате са другачијом толеранцијом?" #~ msgid "Symmetrize Crystal" #~ msgstr "Симетриши кристал" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Преломи атоме на ћелију" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Умањи на Ниглијеву ћелију" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Изабери толеранцију у текућим Декартовим јединицама:" #~ msgid "Crystallography" #~ msgstr "Кристалографија" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Изграђујте и анализирајте периодичне структуре." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Улаз није обликован као један\n" #~ "од следећих подржаних записа:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "ВАСП запис\n" #~ msgid "Bad Compostion" #~ msgstr "Лош састав" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Поље идентитета мора да садржи исти број размаком разграничених уноса као " #~ "6. ред ПОСЦАР-а." #~ msgid "Cartesian Coordinates" #~ msgstr "Декартов координатни систем" #~ msgid "Fractional Coordinates" #~ msgstr "Разломачке координате" #~ msgid "Set Fractional Coordinates" #~ msgstr "Подеси разломачке координате" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Матрица ћелије (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Подеси матрицу јединичне ћелије" #~ msgid "Set Unit Cell Params" #~ msgstr "Подеси параметре јединичне ћелије" #~ msgid "Working..." #~ msgstr "Радим..." #~ msgid "Build" #~ msgstr "Изгради" #~ msgid "Cut Slab From Crystal" #~ msgstr "Одсеци таблу из кристала" #~ msgid "No GLWidget?" #~ msgstr "Нема ГЛ елемента?" #~ msgid "Please select one or more atoms." #~ msgstr "Изаберите један или више атома." #~ msgid "Trajectory..." #~ msgstr "Трајекторија..." #~ msgid "Open chemical file format" #~ msgstr "Отвори запис хемијске датотеке" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Хемијске датотеке (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Отвори датотеку параметра" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Хемијске датотеке (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Увези трајекторију" #~ msgid "Import trajectory files" #~ msgstr "Увезите датотеке трајекторије" #~ msgid "Calculate Energy" #~ msgstr "Израчунај енергију" #~ msgid "Conformer Search..." #~ msgstr "Претрага саобразника..." #~ msgid "Constraints..." #~ msgstr "Ограничења..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Не могу да подесим тренутно изабрано поље силе за овај молекул. " #~ "Пребацујем на УФФ." #~ msgid "Geometric Optimization" #~ msgstr "Оптимизација геометрије" #~ msgid "Systematic Rotor Search" #~ msgstr "Организована претрага ротора" #~ msgid "Random Rotor Search" #~ msgstr "Насумична претрага ротора" #~ msgid "Weighted Rotor Search" #~ msgstr "Тежинска претрага ротора" #~ msgid "Genetic Algorithm Search" #~ msgstr "Претрага генетског алгоритма" #~ msgid "ForceField" #~ msgstr "Поље силе" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Оптимизујте молекуле и створите саобразнике користећи поље механичке " #~ "снаге молекула" #~ msgid "&Vector Graphics..." #~ msgstr "&Векторска графика..." #~ msgid "Common vector image formats" #~ msgstr "Општи записи векторске слике" #~ msgid "EPS" #~ msgstr "ЕПС" #~ msgid "Vector graphics export" #~ msgstr "Извоз векторске графике" #~ msgid "Change H to Methyl" #~ msgstr "Измени Н у метил" #~ msgid "H to Methyl" #~ msgstr "Н у метил" #~ msgid "H2Methyl" #~ msgstr "Н2Метил" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Претворите водонике у метилне групе" #~ msgid "Add or remove hydrogens" #~ msgstr "Додајте или уклоните водонике" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Уметни ДНА/РНА ланце" #~ msgid "Peptide..." #~ msgstr "Пептид..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Уметни олигопептидни низ" #~ msgid "Invert Chirality" #~ msgstr "Преокрени хиралност" #~ msgid "InvertChiral" #~ msgstr "Преокрени хирал" #~ msgid "Invert chiral centers" #~ msgstr "Преокрени хирална средишта" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "непознато" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Процењени момент дипола (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Прикажите уобичајена својства молекула." #~ msgid "Fetch by chemical name..." #~ msgstr "Довуците према хемијском називу..." #~ msgid "Fetch from URL..." #~ msgstr "Довуци са адресе..." #~ msgid "PDB Entry" #~ msgstr "Унос ПДБ-а" #~ msgid "PDB entry to download." #~ msgstr "Унос ПДБ-а за преузимање." #~ msgid "URL" #~ msgstr "Адреса" #~ msgid "URL of molecule to download." #~ msgstr "Адреса молекула за преузимање." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Не могу да учитам наведени молекул: %1" #~ msgid "Network Fetch" #~ msgstr "Довлачење са мреже" #~ msgid "Fetch molecule files over the network." #~ msgstr "Довуците датотеке молекула са мреже." #~ msgid "OrcaExtension Warning" #~ msgstr "Упозорење проширења Орке" #~ msgid "OrcaExtension" #~ msgstr "Проширење Орке" #~ msgid " No vibration data found!" #~ msgstr " Нисам нашао податке вибрације!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Нисам нашао податке вибрације или је молекул измењен ван прикључка Орке!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Изабрани подаци размештаја не одговарају стварном молекулу!" #~ msgid "extended Geometry File" #~ msgstr "Датотека проширене геометрије" #~ msgid "Read Orca Outputfile" #~ msgstr "Читај излазну датотеку Орке" #~ msgid "no file found" #~ msgstr "нисам нашао датотеку" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Нешто није у реду у структури датотеке" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Нешто није у реду у структури датотеке — јединичне ћелије" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Нешто није у реду у ИР излазу! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Нешто није у реду у излазу рамана! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Нешто није у реду у излазу енергије орбите! " #~ msgid "No geometry found in file!" #~ msgstr "Нисам нашао геометрију у датотеци!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Молекул датотеке не одговара структури стварног молекула! \n" #~ " Да ли желите да препишете стварни молекул?" #~ msgid "Could not read file!" #~ msgstr "Не могу да прочитам датотеку!" #~ msgid "Analyse Orca Output..." #~ msgstr "Анализирај излаз Орке..." #~ msgid "&Orca" #~ msgstr "&Орка" #~ msgid "Orca Test Example" #~ msgstr "Пример теста Орке" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Обезбеђује поље за унос текста са речима „H...“." #~ msgid "ORCA Input Deck" #~ msgstr "Улазна плоча Орке" #~ msgid "Show Preview" #~ msgstr "Прикажи преглед" #~ msgid "Hide Preview" #~ msgstr "Сакриј преглед" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "Опција „RijCosX“ није доступна за изабрани ДФТ функционал!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "„RijCosX“ није доступно за изабрани ДФТ функционал! \n" #~ "Повраћај опције „RijCosX“!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Несачуване измене су начињене у тексту стварног прегледа! \n" #~ " Стварање новог прегледа ће поништити измене! \n" #~ " Да ли ипак желите да их препишете?" #~ msgid "Intensities" #~ msgstr "Јакост" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " СпектарОрке::Нисам нашао податке вибрације!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Сачувајте слику исцртану ПОВ-Рејом" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Датотеке слика (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "ПОВ-Реј..." #~ msgid "No valid filename was supplied." #~ msgstr "Није достављен исправан назив датотеке." #~ msgid "Does not compute." #~ msgstr "Не рачунам." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Затражили сте без непосредног исцртавања користећи ПОВ-Реј и без " #~ "задржавања ПОВ-Реј датотеке. Овиме неће бити сачуван ниједан излаз. Да ли " #~ "сте сигурни да је то оно што желите?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не могу да упишем у датотеку „%1“. Да ли имате овлашћења да уписујете на " #~ "том месту?" #~ msgid "POV-Ray failed to start." #~ msgstr "ПОВ-Реј није успео да се покрене." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "ПОВ-Реј није успео да се покрене. Можда путања до извршног није исправно " #~ "подешена." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Направите ПОВ-Реј датотеке и исцртајте их користећи ПОВ-Реј програм " #~ "линије наредби." #~ msgid "Conformer Properties..." #~ msgstr "Својства саобразника..." #~ msgid "Python Terminal" #~ msgstr "Питонов терминал" #~ msgid "pythonTerminalDock" #~ msgstr "Пристаниште Питоновог терминала" #~ msgid "Interactive python scripting terminal" #~ msgstr "Међудејствени питонов терминал за скрипте" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Абинита" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Абинита?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Улазна_плоча_Абинита" #~ msgid "Abinit Running." #~ msgstr "Абинит је покренут." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Абинит је већ покренут. Молим сачекајте док се не обаве претходни " #~ "прорачуни." #~ msgid "Abinit Not Installed." #~ msgstr "Абинит није инсталиран." #~ msgid "The abinit executable cannot be found." #~ msgstr "Не могу да пронађем абинитов извршни." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Псеудоними (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf " #~ "*.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "абинит се није покренуо. Можда није инсталиран исправно." #~ msgid "Running Abinit calculation..." #~ msgstr "Извршавам Абинитове прорачуне..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Абинит није радио исправно. Можда није инсталиран исправно." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Упозорење Далтоновог ствараоца улазне датотеке" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа Далтонове улазне датотеке?" #~ msgid "QM Matches" #~ msgstr "КуМ поклапања" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "ЕФП избор..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "КуМ избор..." #~ msgid "You must make a selection!" #~ msgstr "Морате да направите избор!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Није доступно ПЛУМУС претварање" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Није доступно претварање ПЛУМУС записа!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "ГАМЕСС" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Направите улазне датотеке за квантне хемијске пакете ГАМЕСС-а" #~ msgid "Advanced Settings Changed" #~ msgstr "Напредна подешавања су измењена" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Измењена су напредна подешавања.\n" #~ "Да одбацим измене?" #~ msgid "Advanced Settings Reset" #~ msgstr "Напредна подешавања су враћена" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Да ли сте сигурни да желите да вратите напредна подешавања?\n" #~ "Све измене ће бити изгубљене!" #~ msgid "Basic Settings Reset" #~ msgstr "Основна подешавања су враћена" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Да ли сте сигурни да желите да вратите основна подешавања?\n" #~ "Све измене ће бити изгубљене!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Гамеса-УК" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Гамеса-УК?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Улазна плоча Гамеса-УК" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Гауска" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Гауска?" #~ msgid "Gaussian Input Deck" #~ msgstr "Улазна плоча Гауска" #~ msgid "Gaussian Running." #~ msgstr "Гауско је покренут." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Гауско је већ покренут. Молим сачекајте док се не обаве претходни " #~ "прорачуни." #~ msgid "Gaussian Not Installed." #~ msgstr "Гауско није инсталиран." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Не могу да пронађем Г03 извршни." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Г03 се није покренуо. Можда није инсталиран исправно." #~ msgid "Running Gaussian calculation..." #~ msgstr "Извршавам Гаускове прорачуне..." #~ msgid "G03 Crashed." #~ msgstr "Г03 се урушио." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Гауско није радио исправно. Можда није инсталиран исправно." #~ msgid "&Abinit..." #~ msgstr "&Абинит..." #~ msgid "&Dalton..." #~ msgstr "&Далтон..." #~ msgid "&Gaussian..." #~ msgstr "&Гауско..." #~ msgid "&MOLPRO..." #~ msgstr "&МОЛПРО..." #~ msgid "&NWChem..." #~ msgstr "&НВ-Хемија..." #~ msgid "&PSI4..." #~ msgstr "&ПСИ4..." #~ msgid "&Q-Chem..." #~ msgstr "&Ку-Хемија..." #~ msgid "&TeraChem..." #~ msgstr "&Тера-Хемија..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Лампса" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Молпроа" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Молпроа?" #~ msgid "Molpro Input Deck" #~ msgstr "Улазна плоча Молпроа" #~ msgid "MOPAC Input Warning" #~ msgstr "Упозорење улаза МОПАК-а" #~ msgid "MOPAC Input Deck" #~ msgstr "Улазна плоча МОПАК-а" #~ msgid "MOPAC Running." #~ msgstr "МОПАК је покренут." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "МОПАК је већ покренут. Молим сачекајте док се не обаве претходни " #~ "прорачуни." #~ msgid "MOPAC Not Installed." #~ msgstr "МОПАК није инсталиран." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Не могу да пронађем извршну МОПАК-а." #~ msgid "MOPAC failed to start." #~ msgstr "МОПАК није успео да се покрене." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "МОПАК се није покренуо. Можда није исправно инсталиран." #~ msgid "Running MOPAC calculation..." #~ msgstr "Извршавам МОПАК-ове прорачуне..." #~ msgid "MOPAC Crashed." #~ msgstr "МОПАК се урушио." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "МОПАК није радио исправно. Можда није инсталиран исправно." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче НВ-Хемије" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче НВ-Хемије?" #~ msgid "NWChem Input Deck" #~ msgstr "Улазна плоча НВ-Хемије" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Пси-а4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Пси-а4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Улазна плоча Пси-а4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Ку-Хемије" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Ку-Хемије?" #~ msgid "QChem Input Deck" #~ msgstr "Улазна плоча Ку-Хемије" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Тера-Хемије" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Тера-Хемије?" #~ msgid "TeraChem Input Deck" #~ msgstr "Улазна плоча Тера-Хемије" #~ msgid "Select SMARTS..." #~ msgstr "Изабери ПАМЕТНЕ..." #~ msgid "Add Named Selection..." #~ msgstr "Додај именовани избор..." #~ msgid "SMARTS Selection" #~ msgstr "Избор ПАМЕТНИХ" #~ msgid "SMARTS pattern to select" #~ msgstr "Шаблон ПАМЕТНИХ за избор" #~ msgid "There is no current selection." #~ msgstr "Тренутно нема избора." #~ msgid "Add Named Selection" #~ msgstr "Додај именовани избор" #~ msgid "Name cannot be empty." #~ msgstr "Назив не сме бити празан." #~ msgid "There is already a selection with this name." #~ msgstr "Већ постоји избор под тим називом." #~ msgid "Selections" #~ msgstr "Избори" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Изаберите атоме, везе, остатке..." #~ msgid "GLSL Shaders..." #~ msgstr "ГЛСЛ нијансери..." #~ msgid "Open a vertex shader source file" #~ msgstr "Отворите изворну датотеку нијансера врхунца" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Датотеке нијансера врхунца (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Отворите изворну датотеку нијансера одломка" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Датотеке нијансера одломка (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Отворите датотеку параметара нијансера" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Датотеке параметара нијансера (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "ГЛСЛ нијансери" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Учитајте и користите ОпенГЛ 2.0 ГЛСЛ нијансере" #~ msgid "Intensity (arb. units)" #~ msgstr "Јакост (скр. јединице)" #~ msgid "Density of States (states/cell)" #~ msgstr "Густина стања (стања/ћелија)" #~ msgid "Density of States (states/atom)" #~ msgstr "Густина стања (стања/атом)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Густина стања (стања/ковалентни електрон)" #~ msgid "Transmittance (%)" #~ msgstr "Прозрачност (%)" #~ msgid "Absorbance (%)" #~ msgstr "Упијање (%)" #~ msgid "No intensities" #~ msgstr "Нема интензитета" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Подаци о вибрацијама у молекулу који сте учитали не садрже никакве " #~ "податке о интензитету. Интензитет је постављени на произвољну вредности " #~ "за приказивање." #~ msgid "Activity" #~ msgstr "Активност" #~ msgid "X Axis" #~ msgstr "X оса" #~ msgid "Y Axis" #~ msgstr "Y оса" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Подешавања спектра &инфрацрвеног" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "НМР" #~ msgid "&NMR Spectra Settings" #~ msgstr "Подешавања спектра &НМР-а" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "ГС" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Подешавања &ултраљубичастог" #~ msgid "&CD Settings" #~ msgstr "&ЦД подешавања" #~ msgid "&Raman Settings" #~ msgstr "Подешавања &Рамана" #~ msgid "No data" #~ msgstr "Нема података" #~ msgid "Dark" #~ msgstr "Тамно" #~ msgid "Publication" #~ msgstr "Издавање" #~ msgid "Handdrawn" #~ msgstr "Руком цртано" #~ msgid "New Scheme" #~ msgstr "Нова шема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Потврди уклањање шеме" #~ msgid "Really remove current scheme?" #~ msgstr "Стварно да уклоним текућу шему?" #~ msgid "Change Scheme Name" #~ msgstr "Измени назив шеме" #~ msgid "Enter new name for current scheme:" #~ msgstr "Унесите нови назив за текућу шему:" #~ msgid "Export Calculated Spectrum" #~ msgstr "Извези прорачунати спектар" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Вредности одвојене табулатором (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Вредности одвојене табулатором" #~ msgid "Comma Separated Values" #~ msgstr "Вредности раздвојене зарезом" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Увоз спектра" #~ msgid "Unknown extension: %1" #~ msgstr "Непознато проширење: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR подаци (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Турбомол IR подаци (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Турбомол UV подаци (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Турбомол CD подаци (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Облик података" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Запис:" #~ msgid "Load Spectral Data" #~ msgstr "Учитај податке спектра" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "ЦД датотека турбомола је неправилно оформљена : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Преносна мрежна графика" #~ msgid "jpeg" #~ msgstr "јпег" #~ msgid "Tagged Image File Format" #~ msgstr "Запис датотеке означене слике (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Виндоуз битмап (BMP)" #~ msgid "Portable Pixmap" #~ msgstr "Преносна пиксмапа" #~ msgid "X11 Bitmap" #~ msgstr "X11 битмапа" #~ msgid "X11 Pixmap" #~ msgstr "X11 пиксмапа" #~ msgid "Save Spectra Image" #~ msgstr "Сачувај слику спектра" #~ msgid "Image successfully written to %1" #~ msgstr "Слика је успешно записана на „%1“" #~ msgid "&Advanced <<" #~ msgstr "&Напредно <<" #~ msgid "&Advanced >>" #~ msgstr "&Напредно >>" #~ msgid "&Spectra..." #~ msgstr "&Спектар..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Прикажите податке спектра из квантних хемијских прорачуна" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Вибрациона анализа" #~ msgid "No vibrational displacements exist." #~ msgstr "Не постоји вибрационо размештање." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Прикажите вибрационе режиме из квантних хемијских прорачуна" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ређам %1 вибрације према учесталости..." #~ msgid "Super Cell Builder..." #~ msgstr "Градилац супер ћелије..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Овај документ је тренутно један усамљени молекул. Треба да направите " #~ "јединичну ћелију." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Изградите и прикажите кристалографску супер ћелију" #~ msgid "Molecular Orbitals..." #~ msgstr "Молекуларне орбите..." #~ msgid "Orbitals" #~ msgstr "Орбите" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ништа" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Ван дер Валс" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Густина електрона" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Грешка — неодређена врста" #~ msgid "Calculating VdW Cube" #~ msgstr "Израчунавам ВдВ коцку" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Израчунавам МО %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Површине електростатичког потенцијала још увек нису подржане." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Израчунајте молекуларне орбите и друге површине" #~ msgid "&Nanotube Builder..." #~ msgstr "Изграђивач &нано цеви..." #~ msgid "Nanotube Builder" #~ msgstr "Изграђивач нано цеви" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Неисправна одредница нано цеви" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Затражена нано цев не може бити изграђена из следећих разлога:\n" #~ "\n" #~ "Или „n“ или „m“ мора бити веће од 1." #~ msgid "Insert Nanotube" #~ msgstr "Уметни нано цев" #~ msgid "SWCNT Builder" #~ msgstr "СВЦНТ градилац" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Изградите угљеничне нано цеви једног зида." #~ msgid "Building..." #~ msgstr "Изграђујем..." #~ msgid "Display point group symmetry." #~ msgstr "Прикажите тачку симетрије групе." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "ГЛ елемент није исправно покренут да би се направио снимак" #~ msgid "GL widget has no molecule" #~ msgstr "ГЛ елемент нема ниједан молекул" #~ msgid "Building video " #~ msgstr "Изграђујем снимак " #~ msgid "Could not run mencoder." #~ msgstr "Не могу да покренем менкодер." #~ msgid "Set Aspect Ratio" #~ msgstr "Подеси однос размере" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Текућа Авогадрова сцена је величине %1x%2 тачкица, а однос размере је " #~ "%3.\n" #~ "Можете да задржите ову вредност, на пример ако намеравате да користите " #~ "ПОВ-Реј\n" #~ "да направите слику величине %4x1000 тачкица, или можете да унесете било " #~ "коју позитивну вредност,\n" #~ "на пример 1 ако намеравате да користите ПОВ-Реј да направите квадратну " #~ "слику, као што је 1000x1000 тачкица." #~ msgid "Connect" #~ msgstr "Повежи се" #~ msgid "Disconnect" #~ msgstr "Прекини везу" #~ msgid "&WiiTrack" #~ msgstr "Прати &Вии-јем" #~ msgid "Wii Tracking" #~ msgstr "Вии праћење" #~ msgid "Track motion using Wii remotes" #~ msgstr "Пратите покрете користећи даљинске Вии-ја" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Неисправан садржај ОпенГЛ-а.\n" #~ "Или је нешто потпуно оштећено у вашим подешавањима ОпенГЛ-а (да ли можете " #~ "да покренете неки од ОпенГЛ програма?), или сте нашли грешку." #~ msgid "Debug Information" #~ msgstr "Подаци за уклањање грешака" #~ msgid "FPS: %L1" #~ msgstr "К/С: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Величина приказа: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Атоми: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "ОБ мол: попис %1 је изван домета." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Врста датотеке „%1“ није подржана за читање." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Врста датотеке за датотеку „%1“ није подржана за читање." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Нисам успео да прочитам молекул %1 из датотеке „%2“." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "замени молекул: попис %1 је изван домета." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Врста датотеке „%1“ није подржана за читање." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Врста датотеке за датотеку „%1“ није подржана за читање." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Не могу да отворим датотеку „%1“ за читање." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Нисам успео да заменим молекул %1 из датотеке „%2“." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Датотека „%1“ не може бити отворена за читање." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Датотека „%1“ не може бити отворена за писање." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Нисам успео да сачувам датотеку молекула — не могу да преименујем изворну " #~ "датотеку." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Нисам успео да сачувам датотеку молекула — не могу да преименујем нову " #~ "датотеку." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Нисам успео да сачувам датотеку молекула — не могу да уклоним стару " #~ "датотеку." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Нисам успео да запишем молекул у датотеку „%1“. Није успела функција Опен " #~ "Бабела." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Датотека „%1“ не може бити отворена за писање." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Нисам успео да запишем саобразнике у датотеку „%1“." #~ msgid "Molecule %1" #~ msgstr "Молекул %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "ОЈЛ2+" #~ msgid "Unknown Python Engine" #~ msgstr "Непознат Питонов погон" #~ msgid "N/A" #~ msgstr "Недоступно" #~ msgid "PythonEngine: checking " #~ msgstr "Питонов погон: проверавам " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " — скрипта нема одређен разред „Погон“" #~ msgid " - no module" #~ msgstr " — нема модула" #~ msgid "Unknown Python Extension" #~ msgstr "Непознато Питоново проширење" #~ msgid "PythonExtension: checking " #~ msgstr "Питоново проширење: проверавам " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " — скрипта нема одређен разред „Проширење“" #~ msgid "Unknown Python Tool" #~ msgstr "Непознат Питонов алат" #~ msgid "PythonTool: checking " #~ msgstr "Питонов алат: проверавам " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " — скрипта нема одређен разред „Алат“" #~ msgid "Conformer %1" #~ msgstr "Саобразник %1" #~ msgid "Tools" #~ msgstr "Алати" #~ msgid "Align:" #~ msgstr "Поравнај:" #~ msgid "Everything" #~ msgstr "Све" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Алат самосталне оптимизације\n" #~ "\n" #~ "Функције кретања приликом клика на празан простор.\n" #~ "Лево дугме миша: \tЗаокрените простор\n" #~ "Средње дугме миша: Увећајте простор\n" #~ "Десно дугме миша: \tПомерите простор\n" #~ "Двоструки клик: \tВратите преглед\n" #~ "\n" #~ "Приликом рада:\n" #~ "Лево дугме миша: \tКликните и ухватите атоме да их померите." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Самооптимизација: Не могу да подесим поље силе..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Самооптимизација: Е = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Број ограничења: %1" #~ msgid "Steps per Update:" #~ msgstr "Корака по ажурирању:" #~ msgid "Algorithm:" #~ msgstr "Алгоритам:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Молекуларна динамика (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Молекуларна динамика (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Учвршћени атоми се могу померати" #~ msgid "Ignored atoms are movable" #~ msgstr "Занемарени атоми се могу померати" #~ msgid "AutoOpt Molecule" #~ msgstr "Молекул самосталне оптимизације" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Самостална оптимизација молекуларне геометрије" #~ msgid "AutoOptimization Settings" #~ msgstr "Подешавања самосталне оптимизације" #~ msgid "Auto Rotation Tool" #~ msgstr "Алат самосталног обртања" #~ msgid "x rotation:" #~ msgstr "х заокретање:" #~ msgid "x rotation" #~ msgstr "х заокретање" #~ msgid "y rotation:" #~ msgstr "у заокретање:" #~ msgid "y rotation" #~ msgstr "у заокретање" #~ msgid "z rotation:" #~ msgstr "z заокретање:" #~ msgid "z rotation" #~ msgstr "z заокретање" #~ msgid "Automatic rotation of molecules" #~ msgstr "Самостално заокретање молекула" #~ msgid "AutoRotate Settings" #~ msgstr "Подешавања самосталног заокретања" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Дужина везе: %L1" #~ msgid " Show Angles" #~ msgstr " Прикажи углове" #~ msgid "Snap-to Threshold: " #~ msgstr "Приони на праг: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Управљање средишњом везом" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Управљање дужинама, угловима и увијањима везе" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Подешавање управљања средишњом везом" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Растојање (2—>3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Растојање (3—>4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Двострани угао: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Растојање:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Измерите дужине, углове и угаоне помераје везе" #~ msgid "Draw Bond" #~ msgstr "Нацртај везу" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Нацртајте и уредите атоме и везе" #~ msgid "Draw Settings" #~ msgstr "Подешавање цртања" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Преведите, заокрените и дотерајте атоме и одломке" #~ msgid "Manipulate Settings" #~ msgstr "Подешавање управљања" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Преведите, заокрените и увећајте око текућег прегледа" #~ msgid "Navigate Settings" #~ msgstr "Подешавања кретања" #~ msgid "Selection Mode:" #~ msgstr "Режим избора:" #~ msgid "Atom/Bond" #~ msgstr "Атом/Веза" #~ msgid "Residue" #~ msgstr "Остатак" #~ msgid "Add Center of Atoms" #~ msgstr "Додај средиште атома" #~ msgid "Change color of the atom" #~ msgstr "Измените боју атома" #~ msgid "Change label of the atom" #~ msgstr "Измените натпис атома" #~ msgid "Change label of the bond" #~ msgstr "Измените натпис везе" #~ msgid "Change radius of the atom" #~ msgstr "Измените полупречник атома" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Нови полупречник, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Изаберите атоме, остатке и молекуле" #~ msgid "Symbol" #~ msgstr "Симбол" #~ msgid "Bond Length" #~ msgstr "Дужина везе" #~ msgid "Dihedral Angle" #~ msgstr "Двострани угао" #~ msgid "Z Matrix Editor..." #~ msgstr "Уређивач Z матрице..." #~ msgid "Z-Matrix" #~ msgstr "Z-матрица" #~ msgid "Create/edit a z-matrix" #~ msgstr "Направите/уредите z-матрицу" #~ msgid "Z-Matrix Settings" #~ msgstr "Подешавања Z-матрице" #~ msgid "Color residues by:" #~ msgstr "Обој остатке према:" #~ msgid "Hydrophobicity" #~ msgstr "Хидрофобност" #~ msgid "Axes:" #~ msgstr "Осе:" #~ msgid "Cartesian Axes" #~ msgstr "Декартове осе" #~ msgid "Orthogonal Axes" #~ msgstr "Ортогоналне осе" #~ msgid "Axis 1:" #~ msgstr "Оса 1:" #~ msgid "Axis 2:" #~ msgstr "Оса 2:" #~ msgid "Axis 3:" #~ msgstr "Оса 3:" #~ msgid "Origin:" #~ msgstr "Порекло:" #~ msgid "Norm" #~ msgstr "Стандард" #~ msgid "Preserve vector norms" #~ msgstr "Очувај стандарде вектора" #~ msgid "Atom Radius:" #~ msgstr "Полупречник атома:" #~ msgid "Bond Radius:" #~ msgstr "Полупречник везе:" #~ msgid "Shape" #~ msgstr "Облик" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Понављање" #~ msgid "Dipole:" #~ msgstr "Дипол:" #~ msgid "Custom Vector" #~ msgstr "Произвољни вектор" #~ msgid "Custom:" #~ msgstr "Произвољно:" #~ msgid "Width:" #~ msgstr "Ширина:" #~ msgid "Cut-off radius:" #~ msgstr "Полупречник прекида:" #~ msgid "Cut-off angle:" #~ msgstr "Угао прекида:" #~ msgid "Rendering Engine:" #~ msgstr "Погон исцртавања:" #~ msgid "TextRenderer" #~ msgstr "Исцртавач текста" #~ msgid "QPainter" #~ msgstr "Ку фарбар" #~ msgid "Text:" #~ msgstr "Текст:" #~ msgid "Symbol & Number in Group" #~ msgstr "Симбол и број у групи" #~ msgid "Symbol & Atom number" #~ msgstr "Симбол и атомски број" #~ msgid "Partial charge" #~ msgstr "Делимично наелектрисање" #~ msgid "Residue number" #~ msgstr "Број остатка" #~ msgid "Custom data" #~ msgstr "Произвољни подаци" #~ msgid "Change Font" #~ msgstr "Измени словни лик" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Помак натписа:" #~ msgid "Bond length" #~ msgstr "Дужина везе" #~ msgid "Bond number" #~ msgstr "Број везе" #~ msgid "Bond order" #~ msgstr "Поредак везе" #~ msgid "Lines" #~ msgstr "Линије" #~ msgid "Radius:" #~ msgstr "Полупречник:" #~ msgid "Include Nitrogens" #~ msgstr "Укључи нитрогене" #~ msgid "VdW Opacity:" #~ msgstr "ВдВ непровидност:" #~ msgid "Orbital:" #~ msgstr "Орбитално:" #~ msgid "Render:" #~ msgstr "Исцртај:" #~ msgid "Fill" #~ msgstr "Испуни" #~ msgid "Points" #~ msgstr "Тачке" #~ msgid "Draw Box:" #~ msgstr "Поље за цртање:" #~ msgid "Mapped Colors" #~ msgstr "Мапиране боје" #~ msgid "Positive" #~ msgstr "Позитивно" #~ msgid "Negative" #~ msgstr "Негативно" #~ msgid "Show Atoms" #~ msgstr "Прикажи атоме" #~ msgid "Animate Trajectory" #~ msgstr "Оживотворена трајекторија" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Понављање" #~ msgid "Save as .avi..." #~ msgstr "Сачувај као „.avi“..." #~ msgid "Angstroms" #~ msgstr "Ангстрома" #~ msgid "Bohrs" #~ msgstr "Бора" #~ msgid "Fractional" #~ msgstr "Разломачки" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, само координате" #~ msgid "GAMESS Input #2" #~ msgstr "ГАМЕСС улаз #2" #~ msgid "Priroda Input" #~ msgstr "Улаз природе" #~ msgid "Apply Changes" #~ msgstr "Примени измене" #~ msgid "Cut All" #~ msgstr "Одсеци све" #~ msgid "Paste to the End" #~ msgstr "Убаци на крај" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Овде убаците или " #~ "уредите атомске координате. Можете да убаците готово било који одломак " #~ "текста, који садржи координате

" #~ msgid "(None)" #~ msgstr "(Ништа)" #~ msgid "Sort by " #~ msgstr "Поређај према " #~ msgid "Number of atoms:" #~ msgstr "Број атома:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Број заокретљивих веза:" #~ msgid "Ignore Atom" #~ msgstr "Занемари атом" #~ msgid "Fix Atom" #~ msgstr "Поправи атом" #~ msgid "Fix Atom X" #~ msgstr "Поправи атом X" #~ msgid "Fix Atom Y" #~ msgstr "Поправи атом Y" #~ msgid "Fix Atom Z" #~ msgstr "Поправи атом Z" #~ msgid "Torsion angle" #~ msgstr "Угао увијања" #~ msgid "Save" #~ msgstr "Сачувај" #~ msgid "Load" #~ msgstr "Учитај" #~ msgid "Atomic &identites:" #~ msgstr "Атомски &идентитет:" #~ msgid "Surface Slab Builder" #~ msgstr "Градилац табле површине" #~ msgid "Plane:" #~ msgstr "Раван:" #~ msgid "&Miller Indices:" #~ msgstr "&Милеров показатељ:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Упозорење: Користите не-нулте Милерове показатеље" #~ msgid "Width (x)" #~ msgstr "Ширина (x)" #~ msgid "Width (y)" #~ msgstr "Ширина (y)" #~ msgid "Height (z)" #~ msgstr "Висина (z)" #~ msgid "length" #~ msgstr "дужина" #~ msgid "cell repeats" #~ msgstr "понављања ћелије" #~ msgid "&Translate " #~ msgstr "&Преведи " #~ msgid "by arbitrary vector" #~ msgstr "према произвољном вектору" #~ msgid "selected atom to unit cell center" #~ msgstr "изабрани атом на средиште јединичне ћелије" #~ msgid "Translation vector:" #~ msgstr "Вектор превођења:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Векторске јединице:" #~ msgid "Cartesian" #~ msgstr "Декартове" #~ msgid "&Translate" #~ msgstr "&Преведи" #~ msgid "Crystal View Options" #~ msgstr "Опције прегледа кристала" #~ msgid "Unit Cell Repeats:" #~ msgstr "Понављања јединичне ћелије:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Да нацртам јединичну ћелију?" #~ msgid "One" #~ msgstr "Један" #~ msgid "All" #~ msgstr "Све" #~ msgid "Color..." #~ msgstr "Боја..." #~ msgid "View Along:" #~ msgstr "Прегледај уз:" #~ msgid "Default View" #~ msgstr "Подразумевани приказ" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Милеров показатељ" #~ msgid "File Import..." #~ msgstr "Увоз датотеке..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Да покушам да спознам везе?" #~ msgid "Setup Force Field" #~ msgstr "Подеси поље силе" #~ msgid "Ghemical" #~ msgstr "Гхемија" #~ msgid "Number of steps" #~ msgstr "Број корака" #~ msgid "Algorithm" #~ msgstr "Алгоритам" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "L" #~ msgstr "Л" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Алфа спирала" #~ msgid "Beta Sheet" #~ msgstr "Бета лист" #~ msgid "Pi Helix" #~ msgstr "Pi спирала" #~ msgid "Phi:" #~ msgstr "Фи:" #~ msgid "Psi:" #~ msgstr "Пси:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Број остатака:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Енергија (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Диполни момент (D):" #~ msgid "select Fragment" #~ msgstr "изабери одломак" #~ msgid "Basic" #~ msgstr "Основа" #~ msgid "Comment" #~ msgstr "Напомена" #~ msgid "Frequency" #~ msgstr "Учесталост" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "ДФТ" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Запис" #~ msgid "z-Matrix" #~ msgstr "z-матрица" #~ msgid "z-Matrix compact" #~ msgstr "Збијена z-матрица" #~ msgid "Advanced" #~ msgstr "Напредно" #~ msgid "Basis Set" #~ msgstr "Подешавање основе" #~ msgid "Control" #~ msgstr "Управљање" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Relativistic" #~ msgstr "Релативистички" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Поредак" #~ msgid "Run type" #~ msgstr "Врста покретања" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Подешавања основе" #~ msgid "Printlevel" #~ msgstr "Ниво исписа" #~ msgid "Small" #~ msgstr "Мало" #~ msgid "Large" #~ msgstr "Велико" #~ msgid "Damping" #~ msgstr "Одлагање" #~ msgid "Factor" #~ msgstr "Чинилац" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

изабери само ако се основности не траже

" #~ msgid "Accuracy" #~ msgstr "Тачност" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Помак нивоа " #~ msgid "Levelshift" #~ msgstr "Помак нивоа" #~ msgid "2nd Order" #~ msgstr "2° реда" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "НРСЦФ" #~ msgid "AHSCF" #~ msgstr "АХСЦФ" #~ msgid "max. SCF iterations" #~ msgstr "највише СЦФ понављања" #~ msgid "SCF Type" #~ msgstr "СЦФ врста" #~ msgid "restricted" #~ msgstr "ограничено" #~ msgid "unrestricted" #~ msgstr "неограничено" #~ msgid "restricted open-shell" #~ msgstr "ограничена отворена шкољка" #~ msgid "SFitting" #~ msgstr "С-испуњавање" #~ msgid "GridX" #~ msgstr "Икс мрежа" #~ msgid "FinalGridX" #~ msgstr "Крајња Икс мрежа" #~ msgid "DFT Functional" #~ msgstr "ДФТ функционал" #~ msgid "Grid" #~ msgstr "Мрежа" #~ msgid "FinalGrid" #~ msgstr "Крајња мрежа" #~ msgid "POV-Ray Export" #~ msgstr "ПОВ-Реј извоз" #~ msgid "Select..." #~ msgstr "Изабери..." #~ msgid "povray" #~ msgstr "повреј" #~ msgid "Use full scene antialiasing" #~ msgstr "Користите умекшавање читаве сцене" #~ msgid "Antialias" #~ msgstr "Умекшавање ивица" #~ msgid "Set the background color to be transparent" #~ msgstr "Подесите боју позадине да буде прозирна" #~ msgid "Alpha transparency" #~ msgstr "Алфа провидност" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Исцртајте молекул непосредно користећи ПОВ-Реј линије наредби" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Задржите извор ПОВ-Реја након обављеног исцртавања" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Задржи извор ПОВ-Реја након исцртавања" #~ msgid "Path:" #~ msgstr "Путања:" #~ msgid "Abinit Input" #~ msgstr "Абинитов улаз" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Декартов (Ангстром)" #~ msgid "Reduced" #~ msgstr "Умањено" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Одсецање таласа равни (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Толеранција на силама(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Највећа раширеност решетке:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "помак к-тачке:" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Number of bands:" #~ msgstr "Број линија:" #~ msgid "# k-point shifts:" #~ msgstr "# помака к-тачке:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "ПВ одсецање двоструке мреже (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Шема заузећа:" #~ msgid "SCF tolerance type:" #~ msgstr "Врста СЦФ толеранције:" #~ msgid "Wave Function norm" #~ msgstr "Образац функције таласа" #~ msgid "Total Potential" #~ msgstr "Укупни потенцијал" #~ msgid "Maximum Force" #~ msgstr "Највећа сила" #~ msgid "Relative Force" #~ msgstr "Релативна сила" #~ msgid "1 - semiconducting" #~ msgstr "1 — полупроводљивост" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 — Ферми-Дираково" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 — Хладно расплињавање (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 — Гаусово расплињавање" #~ msgid "Smearing width (Ha):" #~ msgstr "Ширина расплињавања (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 — без покретних јона " #~ msgid "1 - viscous damping" #~ msgstr "1 — вискозно пригушење" #~ msgid "2 - BFGS " #~ msgstr "2 — БГФС " #~ msgid "3 - BFGS with energy" #~ msgstr "3 – БГФС са енергијом" #~ msgid "# Geometrical time steps:" #~ msgstr "Број корака геометријског времена" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Ублажавање кинетичке енергије (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Израчунај..." #~ msgid "Dalton Input" #~ msgstr "Далтонов улаз" #~ msgid "Basics" #~ msgstr "Основе" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Додајте оно што уписујете у насловном реду улазне датотеке зарад ваше\n" #~ "личне обавештености." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Подешавања основе:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Поплов стил" #~ msgid "Jensen's polarization consistent" #~ msgstr "Одржљивост Џенсенове поларизације" #~ msgid "Dunning's correlation consistent" #~ msgstr "Одржљивост Данинговог међуодноса" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Функције међуодноса језгра" #~ msgid "Diffuse functions" #~ msgstr "Функције простирања" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Усмери" #~ msgid "Parallel" #~ msgstr "Паралелно" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Одредба мреже" #~ msgid "Partitioning Scheme:" #~ msgstr "Шема поделе:" #~ msgid "Becke" #~ msgstr "Беки" #~ msgid "Becke (original)" #~ msgstr "Беки (изворно)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Квалитет мреже:" #~ msgid "coarse" #~ msgstr "храпава" #~ msgid "normal" #~ msgstr "обична" #~ msgid "fine" #~ msgstr "фина" #~ msgid "ultrafine" #~ msgstr "врло фина" #~ msgid "Radial Scheme:" #~ msgstr "Шема полупречника:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Прикажи све функционале" #~ msgid "Property:" #~ msgstr "Својство:" #~ msgid "Polarizability" #~ msgstr "Поларизационост" #~ msgid "Frequency Dependent" #~ msgstr "Зависан од учесталости" #~ msgid "No. excitations:" #~ msgstr "Бр. подстицаја:" #~ msgid "EFP Matches" #~ msgstr "ЕФП поклапања" #~ msgid "Group Label:" #~ msgstr "Натпис групе:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Напредна подешавања" #~ msgid "Hessian" #~ msgstr "Хесијана" #~ msgid "Stat Point" #~ msgstr "Тачка стања" #~ msgid "System" #~ msgstr "Систем" #~ msgid "MO Guess" #~ msgstr "Процена МО-е" #~ msgid "Misc" #~ msgstr "Разно" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Функције поларизације тешког атома:" #~ msgid "Read" #~ msgstr "Читај" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Хеј-Вадт" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "С-љуска простирања на тешким атомима" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Л-љуска простирања на тешким атомима" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Двострука зета валентност" #~ msgid "Dunning/Hay DZ" #~ msgstr "Данинг/Хеј ДЗ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Бининг/Куртис ДЗ" #~ msgid "Triple Zeta Valence" #~ msgstr "Трострука зета валентност" #~ msgid "SBKJA Valence" #~ msgstr "СБКЈА валентност" #~ msgid "Hay/Wadt Valence" #~ msgstr "Хеј/Вадт валентност" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ЕЦП врста:" #~ msgid "Default" #~ msgstr "Основно" #~ msgid "Pople" #~ msgstr "Попл" #~ msgid "Pople N311" #~ msgstr "Попл N311" #~ msgid "Huzinaga" #~ msgstr "Хузинага" #~ msgid "Hondo7" #~ msgstr "Хондо7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F функције поларизације тешког атома:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#функције поларизације лаког атома:" #~ msgid "Polar:" #~ msgstr "Полар:" #~ msgid "Max SCF Iterations:" #~ msgstr "Највише СЦФ понављања:" #~ msgid "Gradient" #~ msgstr "Прелив" #~ msgid "Trudge" #~ msgstr "Гажење" #~ msgid "Saddle Point" #~ msgstr "Тачка оптерећења" #~ msgid "IRC" #~ msgstr "ИРЦ" #~ msgid "Gradient Extremal" #~ msgstr "Крајњости прелива" #~ msgid "DRC" #~ msgstr "ДРЦ" #~ msgid "Morokuma" #~ msgstr "Морокума" #~ msgid "Spin Orbit" #~ msgstr "Орбита спина" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Општа оптимизација" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "ФМО оптимизација" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "ГВБ" #~ msgid "MCSCF" #~ msgstr "МЦСЦФ" #~ msgid "None (CI)" #~ msgstr "Ништа (ЦИ)" #~ msgid "Foster-Boys" #~ msgstr "Фостер-Бојз" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Едмистрон-Риденберг" #~ msgid "Pipek-Mezey" #~ msgstr "Пипек-Мези" #~ msgid "SCF Type:" #~ msgstr "СЦФ врста:" #~ msgid "Localization Method:" #~ msgstr "Начин локализације:" #~ msgid "Exec Type:" #~ msgstr "Врста извршавања:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "ГУГА" #~ msgid "General CI" #~ msgstr "Општи ЦИ" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: ЦЦ са двоструким" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "ЦР-ЦЦ" #~ msgid "EOM-CCSD" #~ msgstr "ЕОМ-ЦЦСД" #~ msgid "CR-EOM" #~ msgstr "ЦР-ЕОМ" #~ msgid "Normal Run" #~ msgstr "Обично извршавање" #~ msgid "Check" #~ msgstr "Испитај" #~ msgid "Debug" #~ msgstr "Прочисти" #~ msgid "Molecule Charge:" #~ msgstr "Наелектрисање молекула:" #~ msgid "Run Type:" #~ msgstr "Врста покретања:" #~ msgid "Use MP2" #~ msgstr "Користи МП2" #~ msgid "Use DFT" #~ msgstr "Користи ДФТ" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# променљивих Z-матрице" #~ msgid "Ǻngstrom" #~ msgstr "Ǻнгстром" #~ msgid "Order of Principal Axis:" #~ msgstr "Поредак главних оса:" #~ msgid "Coordinate Type:" #~ msgstr "Врста координата:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Јединствене Декартове координате" #~ msgid "MOPAC Z-Matrix" #~ msgstr "МОПАЦ Z-матрица" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Користи симетрију за време прорачуна" #~ msgid "Point Group:" #~ msgstr "Група тачке:" #~ msgid "Minutes" #~ msgstr "Минути" #~ msgid "Hours" #~ msgstr "Сати" #~ msgid "Days" #~ msgstr "Дани" #~ msgid "Weeks" #~ msgstr "Недеље" #~ msgid "Years" #~ msgstr "Године" #~ msgid "Millenia" #~ msgstr "Векови" #~ msgid "MegaWords" #~ msgstr "Мега речи" #~ msgid "MegaBytes" #~ msgstr "Мега бајта" #~ msgid "GigaWords" #~ msgstr "Гига речи" #~ msgid "GigaBytes" #~ msgstr "Гига бајта" #~ msgid "Force Parallel Methods" #~ msgstr "Присили паралелне начине" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "МемДДИ:" #~ msgid "Memory:" #~ msgstr "Меморија:" #~ msgid "Diagonalization Method:" #~ msgstr "Начин дијагонализације:" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Понављање" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Следећа вредност" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Користи спољно представљање података за поруке" #~ msgid "Initial Guess:" #~ msgstr "Почетна процена:" #~ msgid "Hückel" #~ msgstr "Хикел" #~ msgid "HCore" #~ msgstr "Х језгро" #~ msgid "MO Read ($VEC)" #~ msgstr "МО читање ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "МО сачуван (DICTNRY)" #~ msgid "Skip" #~ msgstr "Прескочи" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Заокрени алфа и бета орбите" #~ msgid "Print the Initial Guess" #~ msgstr "Испиши почетну процену" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "ГАМЕСС сучеље за друге кодове" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "Плт орб" #~ msgid "AIMPAC" #~ msgstr "АИМПАЦ" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Приморај врсту покретања провере" #~ msgid "Hondo 8.2" #~ msgstr "Хондо 8.2" #~ msgid "MELDF" #~ msgstr "МЕЛДФ" #~ msgid "GAMESS (UK Version)" #~ msgstr "ГАМЕСС (УК издање)" #~ msgid "Gaussian 9x" #~ msgstr "Гаусово 9х" #~ msgid "Solvate with Water" #~ msgstr "Раствор са водом" #~ msgid "Becke 1988 exchange" #~ msgstr "Бекијева 1988 размена" #~ msgid "Grid-Free" #~ msgstr "Слободна мрежа" #~ msgid "DFT Functional:" #~ msgstr "ДФТ функционал:" #~ msgid "Duplicated on Each Node" #~ msgstr "Удвостручен на сваком чвору" #~ msgid "Distributed Across All Nodes" #~ msgstr "Расподељен по свим чворовима" #~ msgid "words" #~ msgstr "речи" #~ msgid "Compute MP2 Properties" #~ msgstr "Израчунај својства за МП2" #~ msgid "# of Core Electrons:" #~ msgstr "бр. електрона језгра:" #~ msgid "Transformation Method" #~ msgstr "Начин трансформације" #~ msgid "Numeric" #~ msgstr "Бројевни" #~ msgid "Double Differenced Hessian" #~ msgstr "Хесијана диференцијала другог реда" #~ msgid "Displacement Size:" #~ msgstr "Величина размештаја:" #~ msgid "Purify Hessian" #~ msgstr "Прочисти Хесијану" #~ msgid "bohrs" #~ msgstr "бора" #~ msgid "Initial Hessian" #~ msgstr "Почетна Хесијана" #~ msgid "Guess (+ define)" #~ msgstr "Процени (+ одреди)" #~ msgid "Read (from $HESS)" #~ msgstr "Читам (из $HESS)" #~ msgid "Update Step Size" #~ msgstr "Освежи величину корака" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Испиши орбите при сваком понављању" #~ msgid "Jump Size:" #~ msgstr "Величина скока:" #~ msgid "Stationary Point" #~ msgstr "Стационарна тачка" #~ msgid "Initial:" #~ msgstr "Почетно:" #~ msgid "Newton-Raphson" #~ msgstr "Њутн-Рафсон" #~ msgid "Rational Function Optimization" #~ msgstr "Оптимизација рационалне функције" #~ msgid "Quadratic Approximation" #~ msgstr "Квадратна апроксимација" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Шлегел (квази-НР)" #~ msgid "Constrained Optimization" #~ msgstr "Ограничена оптимизација" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Поново израчунај Хесијану сваког:" #~ msgid "Follow Mode:" #~ msgstr "Режим праћења:" #~ msgid "GAMESS-UK Input" #~ msgstr "ГАМЕСС-УК улаз" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "ГАМЕСС-УК улаз створен Авогадром" #~ msgid "Calculation:" #~ msgstr "Прорачун:" #~ msgid "Transition State Search" #~ msgstr "Претрага стања прелаза" #~ msgid "Basis:" #~ msgstr "Основно:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-матрица" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "У непосредном режиму, интеграли се не чувају на диску, већ се " #~ "израчунавају по потреби.\n" #~ "На савременим системима са брзим процесорима и спорим дисковима, " #~ "непосредни је често бржи." #~ msgid "Run in direct mode:" #~ msgstr "Покрени у непосредном режиму:" #~ msgid "Gaussian Input" #~ msgstr "Улаз Гауска" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Стандард" #~ msgid "Molden" #~ msgstr "Молден" #~ msgid "Molekel" #~ msgstr "Молекел" #~ msgid "Checkpoint:" #~ msgstr "Тачка провере:" #~ msgid "Z-matrix (compact)" #~ msgstr "z-матрица (збијена)" #~ msgid "" #~ "\n" #~ "\n" #~ "

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

" #~ msgid "MOLPRO Input" #~ msgstr "Улаз МОЛПРО-а" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Издање Молпро-а:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Улаз МОПАК-а" #~ msgid "Quartet" #~ msgstr "Квартет" #~ msgid "Quintet" #~ msgstr "Квинтет" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Улаз НВХемије" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Улаз Ку-Хемије" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Улаз Тера-Хемије" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Неограничено" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "не" #~ msgid "yes" #~ msgstr "да" #~ msgid "Dispersion:" #~ msgstr "Расипање:" #~ msgid "Load Shaders" #~ msgstr "Учитај нијансере" #~ msgid "Shader Name:" #~ msgstr "Назив нијансера:" #~ msgid "Vertex Shader:" #~ msgstr "Нијансер врхунца" #~ msgid "Fragment Shader:" #~ msgstr "Нијансер одломка:" #~ msgid "Assign Shader" #~ msgstr "Додели нијансера" #~ msgid "Display Type:" #~ msgstr "Врста приказа:" #~ msgid "Font:" #~ msgstr "Писмо:" #~ msgid "Change Font..." #~ msgstr "Измени словни лик..." #~ msgid "Foreground:" #~ msgstr "Прочеље:" #~ msgid "New..." #~ msgstr "Ново..." #~ msgid "Rename..." #~ msgstr "Преименуј..." #~ msgid "&Schemes:" #~ msgstr "&Шеме:" #~ msgid "&DPI:" #~ msgstr "&ТПИ:" #~ msgid "&Width:" #~ msgstr "&Ширина:" #~ msgid "&Height" #~ msgstr "&Висина" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "инча" #~ msgid "px" #~ msgstr "px" #~ msgid "&Save Image..." #~ msgstr "&Сачувај слику..." #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Сам дотерај величину &слова" #~ msgid "Spectra Tab" #~ msgstr "Језичак спектра" #~ msgid "&Gaussian Width:" #~ msgstr "&Гаусова ширина:" #~ msgid "Rotatory Strength type:" #~ msgstr "Врста јачине окретања:" #~ msgid "Energy units:" #~ msgstr "Јединице енергије:" #~ msgid "Density units" #~ msgstr "Јединице густине:" #~ msgid "Fermi Energy: " #~ msgstr "Фермијева енергија: " #~ msgid "States / Cell" #~ msgstr "Стања / Ћелија" #~ msgid "States / Atom" #~ msgstr "Стања / Атом" #~ msgid "States / Valence electron" #~ msgstr "Стања / Валентни електрон" #~ msgid "Fermi energy at zero" #~ msgstr "Фермијева енергија на нули" #~ msgid "Scale integrated DOS" #~ msgstr "Сразмери обједињени ДОС" #~ msgid "Show integrated DOS" #~ msgstr "Прикажи обједињени ДОС" #~ msgid "&Y Axis Units:" #~ msgstr "Јединице &Y осе:" #~ msgid "Scaling Type:" #~ msgstr "Врста сразмеравања:" #~ msgid "Relative" #~ msgstr "Релативно" #~ msgid "Laser Wavenumber:" #~ msgstr "Таласни број ласера:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "Nucleus:" #~ msgstr "Језгро:" #~ msgid "Gaussian &Width:" #~ msgstr "Гаусова &ширина:" #~ msgid "Reset &Plot Axes" #~ msgstr "Поврати осе &графикона" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Вибрације молекула" #~ msgid "Filter: " #~ msgstr "Пропусник: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Активност (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Прикажи спектар..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "више вибрације учесталости приказаће брже покрете" #~ msgid "Animation speed set by frequency" #~ msgstr "Брзина анимације подешена учесталошћу" #~ msgid "Display force &vectors" #~ msgstr "Прикажи &векторе силе" #~ msgid "&Normalize displacements" #~ msgstr "&Нормализуј размештај" #~ msgid "&Recalculate All" #~ msgstr "&Поново израчунај све" #~ msgid "Default &Quality:" #~ msgstr "Основни &квалитет:" #~ msgid "Show occupied orbitals first" #~ msgstr "Прво прикажи заузете орбитале" #~ msgid "Limit orbital precalculations to " #~ msgstr "Ограничи предпрорачуне орбитале на " #~ msgid "Surface Type:" #~ msgstr "Врста површине:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Ниска" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Средња" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Висока" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Врло висока" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "У врсту приказа:" #~ msgid "New Display" #~ msgstr "Нови приказ" #~ msgid "Advanced..." #~ msgstr "Напредно..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Дужина:" #~ msgid "Uni&t:" #~ msgstr "&Јединица:" #~ msgid "periodic units" #~ msgstr "јединица периоде" #~ msgid "angstrom" #~ msgstr "ангстром" #~ msgid "nanometers" #~ msgstr "нанометри" #~ msgid "Find &double bonds" #~ msgstr "Нађи &двоструке везе" #~ msgid "Molecular Symmetry" #~ msgstr "Симетрија молекула" #~ msgid "Display visual cues" #~ msgstr "Прикажи видне знаке" #~ msgid "Python Settings" #~ msgstr "Подешавања Питона" #~ msgid "Z Matrix Editor" #~ msgstr "Уређивач Z-матрице" OpenChemistry-avogadrolibs-ceb949f/i18n/sv.po000066400000000000000000010062101516317240700212410ustar00rootroot00000000000000# Swedish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-07 11:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Swedish \n" "Language: sv\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 #, fuzzy msgid "Close" msgstr "Stäng" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Okänd" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Väte" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Kol" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Kväve" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Syre" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Kisel" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Svavel" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalcium" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadin" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Järn" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobolt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Koppar" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teknetium" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tenn" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "platina" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Guld" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Kvicksilver" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Bly" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Vismut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Röntgenium" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskovium" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tenness" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Avbild" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etikett" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals-sfärer" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Bindningsordning" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Arkiv" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "&Exportera" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Gundämne:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Rada upp" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Axel:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Av anpassad färg…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Efter partiell laddning…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "sekundära struktur" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Vy" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy msgid "Optimize" msgstr "Optimera" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Optimera geometri" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekyldynamik" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Avbild" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "Maximalt avstånd:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekyldynamik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Rita" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Rita atom" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Avstånd:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Enkel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Dubbel" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Trippel" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "&Importera" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Enkel" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Visa väte" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Dölj väte" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "Väte" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Väte" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Infoga" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekyl…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Infoga fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Infoga fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Infoga molekylfragment för att bygga större molekyler." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 #, fuzzy msgid "Distance from center:" msgstr "Avstånd från centrum:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Mät" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "&Molekyl…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 #, fuzzy msgid "Molecule Properties" msgstr "Molekylegenskaper" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Exportera…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Visa väte för pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Dölj väte" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimera geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Visa väte för pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Dölj väte (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Bindningsordning" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Längdenhet (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "Sekundära Struktur" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Vinklar (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Infoga fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Kraftfält:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Partiell laddning" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindningsordning:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Enkel" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Dubbel" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Kraftfält:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dubbel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restriktion:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad Contributions:,Alexander " "Andjelkovic,Arve Eriksson,Daniel Nylander,Dostojevskji,Peter " "Sahlin, ,Launchpad Contributions:,Alexander Andjelkovic,Arve Eriksson,Daniel " "Nylander,Dostojevskji,Peter Sahlin, ,Launchpad Contributions:,Alexander " "Andjelkovic,Arve Eriksson,Daniel Nylander,Dostojevskji,Peter Sahlin" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,,,yeager@ubuntu.com,darkangel_nr1@hotmail.com,,,,,,yeager@ubuntu.com,darkangel_nr1@hotmail.com,,,,,,yeager@ubuntu.com,darkangel_nr1@hotmail.com," #, fuzzy #~ msgid "Angles:" #~ msgstr "Vinklar:" #, fuzzy #~ msgid "unknown molecule" #~ msgstr "okänd molekyl" #, fuzzy #~ msgid "&Import..." #~ msgstr "&Importera..." #, fuzzy #~ msgid "&Export..." #~ msgstr "&Exportera..." #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Färg efter partiell laddning" #, fuzzy #~| msgid "Auto Rotation Tool" #~ msgid "Animation Tool" #~ msgstr "Automatiskt rotationsverktyg" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Optimera geometri" #, fuzzy #~ msgid "By Distance" #~ msgstr "Avstånd:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Gundämne:" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Molekyldynamik (600 K)" #, fuzzy #~ msgid "Fragment…" #~ msgstr "Infoga fragment" #, fuzzy #~ msgid "Filename" #~ msgstr "&Arkiv" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Renderar proteinets sekundära struktur" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Gundämne:" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Visa väte för pH..." #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Avstånd:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr " Visa vinklar" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Importera" #~ msgid "Insert SMILES" #~ msgstr "Infoga SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Infoga SMILES-fragment:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Infoga fragment" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Infoga molekylfragment för att bygga större molekyler" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimera geometri" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Visa väte" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Färg efter index (röd, orange, gul, grön, blå, violett)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Färg efter atomär partiell laddning (blå = positiv, röd = negativ." #~ msgid "Set custom colors for objects" #~ msgstr "Anpassa färg för objekt" #~ msgid "Color by Distance" #~ msgstr "Färg efter avstånd" #~ msgid "Color by distance from the first atom." #~ msgstr "Färg efter avstånd från första atomen." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Färg efter grundämne (kol = grå, syre = röd, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Färg efter rest (aminosyrasort, hydrofobicitet, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS-mönster:" #~ msgid "Highlight Color:" #~ msgstr "Markeringsfärg:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Färg efter SMARTS-mönster" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Markera speciella funktioner som matchar ett SMARTS-mönster." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Axes" #~ msgstr "Axlar" #~ msgid "Hydrogen Bond" #~ msgstr "Vätebindning" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderar vätebindningar" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renderar atomer som tetraedrar, oktaedrar, och andra polygoner" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Din molekyl ska innehålla minst en atom för att kunna lägga till en " #~ "restriktion" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Din molekyl ska innehålla minst två atomer för att kunna lägga till en " #~ "restriktion för bindningen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Din molekyl ska innehålla minst tre atomer för att kunna lägga till en " #~ "restriktion för vinkeln" #~ msgid "&Angle Unit" #~ msgstr "&Vinkelenhet" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vektorgrafikexport" #~ msgid "H to Methyl" #~ msgstr "H till metyl" #~ msgid "Add or remove hydrogens" #~ msgstr "Visa eller dölj väte" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Infoga oligopeptidsekvenser" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Uppskattat dipolmoment (D):" #~ msgid "Align:" #~ msgstr "Räta upp" #~ msgid "Everything" #~ msgstr "Allting" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Automatisk optimering: Kunde inte ställa in kraftfält..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Steg per uppdatering:" #~ msgid "Algorithm:" #~ msgstr "Algoritm:" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekyldynamik (900 K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fasta atomer är flyttbara" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorerade atomer är flyttbara" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "y rotation:" #~ msgstr "Y-rotation:" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "0/0" #~ msgstr "0/0" OpenChemistry-avogadrolibs-ceb949f/i18n/ta.po000066400000000000000000014514041516317240700212260ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # தமிழ்நேரம் , 2024, 2025. # Weblate Translation Memory , 2024, 2026. # Eisuke Kawashima , 2025, 2026. # தமிழ்நேரம் , 2026. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-20 12:12+0000\n" "Last-Translator: தமிழ்நேரம் \n" "Language-Team: Tamil \n" "Language: ta\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "தொகுதி வேலை #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "எந்த செய்தியும் குறிப்பிடப்படவில்லை." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "ச்கிரிப்ட்-பிரின்ட்-ஆப்சன்ச் வெளியீடு மேல் மட்டத்தில் ஒரு சாதொபொகு பொருளாக இருக்க வேண்டும். " "பெறப்பட்டது:\n" " %1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "சரம் அல்லாத எச்சரிக்கை திரும்பியது." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'எச்சரிக்கைகள்' உறுப்பினர் ஒரு வரிசை அல்ல." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "குறிப்பு கோப்பு '%1' இல்லை." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "பிழையானது கோப்பு %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "'%1' கோப்பு மோசமாக உருவானது. சரம் 'உள்ளடக்கங்கள்' அல்லது 'ஃபைல்பாத்' உறுப்பினர்களைக் " "காணவில்லை." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "தவறான கோப்பு நுழைவு: கோப்பு பெயர்/உள்ளடக்கங்கள் காணவில்லை அல்லது சரங்கள் இல்லை:\n" " %1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "குறியீட்டு %1 இல் தவறான கோப்பு நுழைவு: ஒரு பொருள் அல்ல." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'கோப்புகள்' உறுப்பினர் ஒரு வரிசை அல்ல." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "'கோப்புகள்' உறுப்பினர் காணவில்லை." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'மெயின்ஃபைல்' உறுப்பினர் 'கோப்புகளில்' ஒரு உள்ளீட்டைக் குறிக்கவில்லை." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'மெயின்ஃபைல்' உறுப்பினர் ஒரு சரமாக இருக்க வேண்டும்." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "பதில் மேல் மட்டத்தில் சாதொபொகு பொருளாக இருக்க வேண்டும்." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "ச்கிரிப்ட் வெளியீடு:\n" " %1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "ஆஃப்செட் %L1 இல் பாகுபடுத்தல் பிழை: '%2'\n" " ரா சோன்:\n" "\n" " %3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "பிழையான மூலக்கூறு பிரதிநிதித்துவத்தை சரத்திற்கு சேமிப்பது: அங்கீகரிக்கப்படாத கோப்பு " "வடிவம்: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "பிழையானது மூலக்கூறு பிரதிநிதித்துவத்தை சரத்திற்கு சேமிப்பது: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "சி.சே.எச்.இன் பொருளை உருவாக்கும் பிழை: ஆஃப்செட்டில் பாகுபடுத்தும் பிழை %1: %2\n" " ரா சோன்:\n" "\n" " %3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "பிழை செனரேட்டர் சி.சே.எச்.சான் பொருள்: பாகுபடுத்தப்பட்ட சாதொபொகு ஒரு பொருள் அல்ல:\n" " %1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "உள்ளீட்டு செனரேட்டர் (பிழை)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 உள்ளீட்டு செனரேட்டர்" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "தொடரவும்" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "மூடு" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "தெரியாதது" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "பின்வரும் கோப்பு மாற்றப்பட்டுள்ளது: \n" "\n" "%1 \n" "\n" "புதிய வடிவியல் அல்லது வேலை விருப்பங்களைப் பிரதிபலிக்கும் வகையில் உங்கள் மாற்றங்களை " "மேலெழுத விரும்புகிறீர்களா?" msgstr[1] "" "பின்வரும் கோப்புகள் மாற்றப்பட்டுள்ளன: \n" "\n" "%1 \n" "\n" "புதிய வடிவியல் அல்லது வேலை விருப்பங்களைப் பிரதிபலிக்கும் வகையில் உங்கள் மாற்றங்களை " "மேலெழுத விரும்புகிறீர்களா?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "மாற்றியமைக்கப்பட்ட உள்ளீட்டு கோப்புகளை மேலெழுதவா?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "உள்ளீட்டு உருவாக்கத்தின் போது சிக்கல்கள் ஏற்பட்டன:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "சேமிக்க உள்ளீட்டு கோப்புகள் இல்லை!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "மோலெக்யூவுடன் இணைக்க முடியாது" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "மோலெக்யூ சேவையகத்துடன் இணைக்க முடியாது. தயவுசெய்து அது இயங்குவதை உறுதிசெய்து மீண்டும் " "முயற்சிக்கவும்." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 கணக்கீட்டை சமர்ப்பிக்கவும்" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "வேலை தோல்வியடைந்தது" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "வேலை வெற்றிகரமாக முடிக்கவில்லை." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "ச்கிரிப்ட் எச்சரிக்கைகளை வழங்குகிறது:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "மறை & எச்சரிக்கைகள்" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "காட்டு & எச்சரிக்கைகள்" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "பிழை ஏற்பட்டது:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "வெளியீட்டு கோப்பு பெயரைத் தேர்ந்தெடுக்கவும்" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "உள் பிழை: '%1' என்ற கோப்பு பெயருக்கான உரை விட்செட்டைக் கண்டுபிடிக்க முடியவில்லை" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "வெளியீட்டு பிழை" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "கோப்பு %1 க்கு எழுதத் தவறிவிட்டது." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "வெளியீட்டு கோப்பகத்தைத் தேர்ந்தெடுக்கவும்" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: அடைவு இல்லை!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: கோப்பகத்தைப் படிக்க முடியாது!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: கோப்பு மேலெழுதப்படும்." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: கோப்பு எழுத முடியாது." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "அறியப்படாத பிழை காரணமாக உள்ளீட்டு கோப்புகளை எழுத முடியாது." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "உள்ளீட்டு கோப்புகளை எழுத முடியாது:\n" "\n" " %1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "உள்ளீட்டு கோப்புகளை எழுத முடியாது:\n" "\n" " %1\n" "\n" " எச்சரிக்கைகள்:\n" "\n" " %2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "எச்சரிக்கை:\n" "\n" " %1\n" "\n" " தொடர விரும்புகிறீர்களா?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "உள்ளீட்டு கோப்புகளை எழுதுங்கள்" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "வேலையை உள்ளமைக்கவும்" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "வேலையை மோலெக்யூவுக்கு சமர்ப்பித்தல்…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "வேலை சமர்ப்பிப்பு நேரம் முடிந்தது" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "அவோகாட்ரோ மோலெக்யூவிலிருந்து பதிலுக்காகக் காத்திருந்தார்." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "வேலை %1 “ %2” முடிக்க காத்திருக்கிறது…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "காத்திருப்பதை நிறுத்துங்கள்" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "நிறைவு செய்யப்பட்ட வேலை தகவல்களைப் பெறுதல்…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "வேலை மீட்டெடுப்பு நேரம் முடிந்தது" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "மோலெக்யூவிலிருந்து முடிக்கப்பட்ட வேலை விவரங்களுக்காக அவகாட்ரோ நேரம் ஒதுக்கினார்." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "வேலை சமர்ப்பிப்பதில் பிழை" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "வேலை மோலெக்யூவால் நிராகரிக்கப்பட்டுள்ளது: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "எந்த நிரலும் தேர்ந்தெடுக்கப்படவில்லை." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "\"வரிசை மற்றும் நிரல்\" பட்டியலிலிருந்து இலக்கு நிரலைத் தேர்ந்தெடுக்கவும்." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "வாடிக்கையாளர் வேலையை மோலெக்யூவுக்கு சமர்ப்பிக்கத் தவறிவிட்டார்." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "உள் பிழை." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "நிரல் தேர்வை தீர்க்க முடியவில்லை. இது ஒரு பிழை." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "பின்னணி வடிவத்தில் எந்த மூலக்கூறும் அமைக்கப்படவில்லை!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "இல்லை io :: fileformat backtelfileformat இல் அமைக்கப்பட்டுள்ளது!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "பின்னணி ஃபைல்ஃபார்மட்டில் எந்த கோப்பு பெயர் அமைக்கப்படவில்லை!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "கிடைமட்டமாக பிரிக்கவும்" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "செங்குத்து பிரிக்கவும்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "நீரகம்" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "எல்லியம்" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "மென்னியம்" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "பெரிலியம்" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "கார்மம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "கரிமம்" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "தழைச்சத்து" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "உயிரகம், உயிர்வளி" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "ஃவுளூரின்" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "ஒளிரியம், புத்தொளிரி" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "உவர்மம்" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "வெளிமம்" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "அலுமினியம்" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "மண்ணியம்" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "பாச்பரச்" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "சல்பர்" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "பாசிகம்" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "இலியன்" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "சாம்பரம்" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "சுண்ணவியம்" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "ச்காண்டியம்" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "வெண்வெள்ளி" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "பழீயம்" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "நீலிரும்பு, குருமம்" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "மங்கனம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "இரும்பு" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "மென்வெள்ளி" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "வன்வெள்ளி" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "செம்பு, செப்பு, தாமிரம்" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "நாகம்" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "மென்தங்கம்" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "சாம்பலியம்" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "பிறாக்காண்டம்" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "செங்கந்தகம், மதிமம்" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "நெடியம்" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "மறைவியம்" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "அரும்பியம், செவ்வரியம்" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "சிதறியம், வெண்ணிமம்" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "திகழியம், கருநரைமம்" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "வண்மம், வன்தங்கம்" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "அருமிமம், களங்கன்" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "மாலிப்டினம்" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "பசகன், செய்தனிமம்" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "சீர்பொன், சீர்தங்கம், உருத்தீனம்" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "அரத்தியம், திண்ணிமம்" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "வெண்ணிரும்பு" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "வெள்ளி" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "வெண்ணீலிமம், நீலீயம்" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "அவுரியம்" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "வெள்ளீயம்" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "கருநிமிளை" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "ஒளிர்மம், வெண்கந்தகம்" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "நைலம்" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "அணுகன்" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "வெண்ணிதள், சீரிலியம்" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "பாரவியம், பேரீயம், மங்கிமம்" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "மாய்மம், ஊக்கிமம்" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "சிற்றீயம், சீரீயம், கருவெள்ளி" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "குழைவெள்ளி, வெண்மஞ்சை" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "இரட்டியம், புதுமஞ்சை" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "அரிதியம், கதிர்மம்" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "சுடர்மம், வெண்நரைமம்" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "அரியவியம், சிறும்பொன், சிறுந்தங்கம்" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "காந்தவியம், காந்தனிமம்" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "தென்னிரும்பு, விளர்மம்" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "கலிழியம், உறிமம்" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "ஒளிமியம்" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "எல்லிரும்பு" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "துலங்கியம், வடமம்" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "எட்ர்பியம்" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "மிளிரியம், மஞ்சிமம்" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "அவிரியம்" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "டான்டலம்" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "மெல்லிழையம்" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "கரிவெள்ளி, அரிமம்" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "கருநீலீயம்" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "உறுதியம்" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "வெண்தங்கம்" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "தங்கம்" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "அறிவன்" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "தெள்ளீயம், சாம்பிமம்" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "ஈயம்" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "நிமிளை" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "அனலியம், மஞ்சளம்" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "தேய்தன், நொறுங்கிமம்" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "ஆரகன்" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "வெடியிதள்" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "கருகன்" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "கதிர்வினைமம், நீலமம்" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "இடியம்" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "புரோட்டாக்டினியம்" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "அடரியம்" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "நெருப்பியம், சேண்மிமம்" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "அயலாம்" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "அமரகம்" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "கியூியம்" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "விழுக்கலிழியம்" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "கலிழ்வெள்ளீயம்" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "ஈந்தியம்" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "வெளுகன்" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "மைந்தியம்" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "நறுங்கன்" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "உலரியம்" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "உருத்திரவியம், உருத்தரம்" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "துப்பினியம்" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "சிற்பியம்" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "புறவியம்" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "அசையன்" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "மறுவியம்" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "நொடியன்" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "உருத்தியம்" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "விழுச்செப்பு, விழுச்செம்பு, விழுத்தாமிரம்" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "நகுவியம்" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "விழுவெள்ளி" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "மிகுவியம், மிகைவியம்" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "இளவமியம்" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "திணிவியம்" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "உகுந்தியம்" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "உலாவு" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "கோப்பைத் தேர்ந்தெடு:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "இயங்கக்கூடியதைத் தேர்ந்தெடு:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "தேர்ந்தெடுக்கப்பட்ட கோப்பிற்கு பொருத்தமான கோப்பு வாசகனைக் கண்டுபிடிக்க முடியவில்லை." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The கோப்பு extension is missing, so the வடிவம் cannot be determined. Do you " "want பெறுநர் கூட்டு it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "தேர்ந்தெடுக்கப்பட்ட வடிவமைப்பிற்கு பொருத்தமான கோப்பு எழுத்தாளரைக் கண்டுபிடிக்க முடியவில்லை." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "கையாளுபவர்கள்" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "கைப்பிடி" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "வாசகர்கள்" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "படிக்க" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "எழுத்தாளர்கள்" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "எழுதுங்கள்" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "இந்த வடிவத்தை %2 முடியும் என்று பல %1 கண்டறிந்தது. எது பயன்படுத்தப்பட வேண்டும்?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "அனைத்து கோப்புகள்" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "அனைத்து உதவி வடிவங்களும்" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "மூலக்கூறு பிரதிநிதித்துவத்தை வாசிப்பது பிழை: அங்கீகரிக்கப்படாத கோப்பு வடிவம்: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 செய்தி" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 முன்னறிவிப்பு" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 பிழை" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "சரம் மூலக்கூறு பிரதிநிதித்துவத்தை எழுதுவதில் பிழை: அங்கீகரிக்கப்படாத கோப்பு வடிவம்: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "சரம் மூலக்கூறு பிரதிநிதித்துவத்தை எழுதுவது பிழை: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'பயனர் ஆப்சன்' காணவில்லை." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "'%1' என்ற விருப்பத்தைக் கண்டுபிடிக்க முடியவில்லை." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'வகை' என்பது '%1' என்ற விருப்பத்திற்கான சரம் அல்ல." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "தலைப்பு" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "கோப்பு பெயர் அடிப்படை" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "செயலி கோர்கள்" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "நினைவகம்" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "கணக்கீட்டு வகை" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "கோட்பாடு" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "அடிப்படை" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "மின்னூட்டு" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "பெருக்கல்" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "கரைப்பி" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "மாதிரியுரு" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "பயனர் பெயர்" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "கடவுச்சொல்" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "அங்கீகரிக்கப்படாத விருப்பம் '%2' விருப்பத்திற்கு '%1' வகை." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "'%1' விருப்பத்திற்கு இயல்புநிலையை அமைத்தல். மோசமான விட்செட் வகை." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "'%1' விருப்பத்திற்கு இயல்புநிலையை அமைத்தல். மோசமான இயல்புநிலை மதிப்பு:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "'%1' விருப்பத்திற்கு இயல்புநிலையை அமைத்தல். மதிப்பிலிருந்து செல்லுபடியாகும் காம்போ " "நுழைவு குறியீட்டைக் கண்டுபிடிக்க முடியவில்லை:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "'%1' என்ற விருப்பத்திற்கான சேகரிப்புகளில் சேர்க்கப்படாத விட்செட்." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[மூலக்கூறு இல்லை]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "அடுக்கு %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "பந்து மற்றும் குச்சி" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "கார்ட்டூன்கள்" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "தொடர்புகளை மூடு" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "படிக லட்டு" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "ஆற்றல்" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "சிட்டைகள்" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "லைகோரைச்" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "மேற்பரப்புகள்" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "கோவலன்ட் அல்லாத" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "Qtaim" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "சமச்சீர் கூறுகள்" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "வான் டெர் வால்ச்" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "வான் டெர் வால்ச் (ஏஓ)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "தொகுதிகள்" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "வயர்ஃப்ரேம்" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "குறிப்பு அச்சுகள்" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "தலைப்பிடப்படாத" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "மூலக்கூறைத் திருத்து" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "சேமிக்கப்படவில்லை" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "புதிய பார்வையை உருவாக்கவும்" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "தனிம அட்டவணை" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "தொகுப்பு பயன்முறைக்கு pixi தேவை ஆனால் அது கிடைக்கவில்லை." #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "ச்கிரிப்டை இயக்கும் பிழை '%1%2': தொடக்கத்திற்காக காத்திருக்கும் நேரம் (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "பிழை இயங்கும் ச்கிரிப்ட் ' %1 %2': stdin க்கு எழுதத் தவறிவிட்டது (LEN = %3, %4 " "பைட்டுகளை எழுதினார், QPROCESS பிழை: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "'%1%2' ச்கிரிப்டை இயக்கும் பிழை: பூச்சுக்காக காத்திருக்கும் நேரம் (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "பிழை இயங்கும் ச்கிரிப்ட் ' %1 %2': அசாதாரண வெளியேறும் நிலை %3 ( %4: %5)\n" "\n" " வெளியீடு:\n" " %6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "எச்சரிக்கை '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" "ச்கிரிப்ட் stdin க்கு மூல கோரிக்கையை எழுதுவதில் பிழை (len=%1, %2 பைட்டுகள் " "எழுதப்பட்டது, QProcess பிழை: %3)." #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "ச்கிரிப்ட் தொடங்கத் தவறிவிட்டது." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "ச்கிரிப்ட் செயலிழந்தது." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "ச்கிரிப்ட் நேரம் முடிந்தது." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "பிழையைப் படியுங்கள்." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "பிழையை எழுதுங்கள்." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "தெரியாத பிழை." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "அடுக்குகளை மாற்றவும்" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "அடுக்கை அகற்று" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "அடுக்கு தகவலை அகற்று" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "அடுக்கு சேர்க்கவும்" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "அடுக்கு தகவலைச் சேர்க்கவும்" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "அடுக்கை மாற்றவும்" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "அணுவைச் சேர்க்கவும்" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "அணுவை அகற்று" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "அணுகுமுறைகளை அழிக்கவும்" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "ஐட்ரசன்களை சரிசெய்யவும்" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "கூறுகளை மாற்றவும்" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "உறுப்பு மாற்றவும்" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "அணு கலப்பினத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "அணு முறையான கட்டணத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "அணு நிறத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "எச்சத்தின் நிறத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "அணு அடுக்கை மாற்றவும்" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "பிணைப்பைச் சேர்க்கவும்" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "அகற்றப்பட்ட பிணைப்பு" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "தெளிவான பிணைப்புகள்" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "பத்திர ஆர்டர்களை அமைக்கவும்" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "பத்திர வரிசையை மாற்றவும்" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "பத்திரங்களை புதுப்பிக்கவும்" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "பத்திரத்தைப் புதுப்பிக்கவும்" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "அலகு கலத்தைச் சேர்க்கவும்…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "அலகு கலத்தை அகற்று" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "அலகு கலத்தைத் திருத்து" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "அணுக்களை கலத்திற்கு மடிக்கவும்" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "அளவிலான செல் தொகுதி" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "சூப்பர் கலத்தை உருவாக்குங்கள்" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "நிக்லி குறைப்பு" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "நிலையான நோக்குநிலைக்கு சுழற்றுங்கள்" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "பழமையானதாகக் குறைக்கவும்" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "வழக்கமான செல்" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "செல் சமச்சீர்" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "அலகு கலத்தை நிரப்பவும்" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "கலத்தை சமச்சீரற்ற அலகுக்கு குறைக்கவும்" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "அணு நிலைகளை மாற்றவும்" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "அணு நிலையை மாற்றவும்" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "ஆட்டம் லேபிளை மாற்றவும்" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "பத்திர லேபிளை மாற்றவும்" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "தேர்வை மாற்றவும்" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "மூலக்கூறு மாற்றவும்" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "அமைப்புகள்" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "கணக்கிடுகிறது…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "ஒரு வினாடிக்கும் குறைவாக மீதமுள்ளது" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "%n வினாடி மீதமுள்ளது" msgstr[1] "%n வினாடிகள் மீதமுள்ளது" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "%n நிமிடம் மீதமுள்ளது" msgstr[1] "%n நிமிடங்கள் மீதமுள்ளது" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "1 மணிநேரம் %n நிமிடம் மீதமுள்ளது" msgstr[1] "1 மணிநேரம் %n நிமிடங்கள் மீதமுள்ளது" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "%n மணிநேரம் மீதமுள்ளது" msgstr[1] "%n மணிநேரங்கள் மீதமுள்ளது" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMOL உஉகுமொ தொகுதி." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "கோப்பு (&f)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "& ஏற்றுமதி" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "Threedmol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "கூறுகளை மாற்றவும்…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "& உருவாக்க" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "உறுப்பு:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "ரசவாதம்" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "அணுக்களின் கூறுகளை மாற்றவும்." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "சீரமைத்தல்" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "மூலக்கூறுகளை சீரமைக்கவும் \n" "\n" "இடது சுட்டி: இரண்டு அணுக்கள் வரை தேர்ந்தெடுக்கவும். \n" "முதல் அணு தோற்றத்தில் நடுவண் கொண்டுள்ளது. \n" "இரண்டாவது அணு தேர்ந்தெடுக்கப்பட்ட அச்சில் சீரமைக்கப்பட்டுள்ளது. \n" "வலது சுட்டி: சீரமைப்பை மீட்டமை. \n" "இருமுறை சொடுக்கவும்: மூலத்தில் அணுவை மையப்படுத்தவும்." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "அச்சு:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "தோற்றத்தில் சீரமைக்கவும்" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "அச்சுக்கு சீரமைக்கவும்" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "அணுவை தோற்றத்தில் மையப்படுத்தவும்." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "அணுவை குறிப்பிட்ட அச்சுக்கு சீரமைக்க மூலக்கூறை சுழற்றுங்கள்." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "கருவி" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "மூலக்கூறுகளை ஒரு கார்ட்டீசியன் அச்சுக்கு சீரமைக்கவும்" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS ஐ இயக்கவும்…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "திறந்த வெளியீட்டு கோப்பு…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "& உள்ளீடு" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "& Apbs" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "வெளியீட்டு கோப்பைத் திறக்கவும்" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Opendx கோப்பு (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "நான் பிழை" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "கட்டமைப்பு கோப்பை வாசிப்பது பிழை (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Opendx பிழை" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Opendx கோப்பைப் படிப்பது பிழை: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Opendx கோப்பைப் படிப்பது பிழை: கியூப் எதுவும் கிடைக்கவில்லை" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "Apbs" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS பயன்பாடுகளுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB கோப்பைத் திறக்கவும்" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB கோப்புகள் (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR கோப்பைத் திறக்கவும்" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR கோப்புகள் (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "பிழை" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APB களை இயக்கும் பிழை: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "PDB கோப்பைக் குறிப்பிடவும்" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "செய்" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "உருவாக்கப்பட்டது %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "PDB2PQR ஐ இயக்குவதில் பிழை" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS உள்ளீட்டு கோப்பை சேமிக்கவும்" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS உள்ளீடு (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "உள்ளீட்டு கோப்பு '%1' க்கு எழுதப்பட்டது" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "கோப்பு %1 ஐ சேமிக்க முடியாது." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "தனிப்பயன் வண்ணத்தால்…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "அணு குறியீட்டால்…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "தூரம்…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "உறுப்பு மூலம்" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "சங்கிலி மூலம்" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "பகுதி கட்டணத்தால்…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "இரண்டாம் நிலை அமைப்பு மூலம்" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "அமினோ அமிலத்தால்" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "செப்பிளி திட்டத்தால்" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "பேசுங்கள்" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "வெப்பம்" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "சூடான" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "சாம்பல்" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "கற்குழம்பு" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "இன்ஃபெர்னோ" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "மின்மம்" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "விரிடிச்" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "சிடிச்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "நிறமாலை" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "கூல்வார்ம்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "இருப்பு" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "நீலம்-இருண்ட" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "டர்போ" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "அணுக்கள் மற்றும் எச்சங்களுக்கு வண்ணத் திட்டங்களைப் பயன்படுத்துங்கள்." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "காண்க (&v)" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "வண்ண அணுக்கள்" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "வண்ண எச்சங்கள்" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "வண்ணவரைபடத்தைத் தேர்ந்தெடு" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "வண்ணவரைபடம்:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "குறியீட்டு நிறங்களைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "கட்டண வண்ணங்களைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "தூர வண்ணங்களைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "ஆட்டம் நிறங்களை மீட்டமைக்கவும்" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "தனிப்பயன் வண்ணத்தைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "தனிப்பயன் எச்ச நிறத்தைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "எச்ச நிறங்களை மீட்டமைக்கவும்" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "இரண்டாம் நிலை கட்டமைப்பு வண்ணங்களைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "அமினோ அமில வண்ணங்களைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "வடிவ வண்ணங்களைப் பயன்படுத்துங்கள்" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "விண்ணப்பிப்பொருட்களைப் பயன்படுத்துங்கள்" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "தானாக மேம்படுத்துதல்" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "தானாக மேம்படுத்தும் கருவி (% 1) \n" "\n" "வெற்று இடத்தில் சொடுக்கு செய்யும் போது வழிசெலுத்தல் செயல்பாடுகள். \n" "இடது சுட்டி: இடத்தை சுழற்று \n" "நடு சுட்டி: பெரிதாக்கு இடம் \n" "வலது சுட்டி: இடத்தை நகர்த்தவும் \n" "இருமுறை சொடுக்கு செய்யவும்: பார்வையை மீட்டமைக்கவும் \n" "\n" "இயங்கும் போது: \n" "இடது சுட்டி: அணுக்களை நகர்த்த சொடுக்கு செய்து இழுக்கவும். \n" "வலது சுட்டி: அணுக்களை சுழற்ற சொடுக்கு செய்து இழுக்கவும்." #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "உகந்ததாக்கு" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "இயக்கவியல்" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "பணி:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "முறை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "வெப்பநிலை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "நேரம்:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "தொடங்கு" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "நிறுத்து" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "வடிவவியலை மேம்படுத்தவும்" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "மூலக்கூறு இயக்கவியல்" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "ஆட்டோ ஆப்டிமைச் கருவி" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "மூலக்கூறு வடிவவியலின் ஊடாடும் உகப்பாக்கம்" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "அணு அளவு" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "பத்திர அளவு" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "ஒளிபுகாநிலை" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "பல பிணைப்புகளைக் காட்டு" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "ஐட்ரசன்களைக் காட்டு" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "அணுக்களை கோளங்களாகவும் பிணைப்புகளாகவும் சிலிண்டர்களாக வழங்கவும்." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "பத்திரத்தை மையமாகக் கொண்ட கையாளுதல்" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "பாண்ட் சென்ட்ரிக் மேனிபுலேசன் டூல் (% 1) \n" "\n" "இடது சுட்டி: பார்வையை சுழற்ற சொடுக்கு செய்து இழுக்கவும். \n" "நடு சுட்டி: பெரிதாக்க அல்லது பெரிதாக்க சொடுக்கு செய்து இழுக்கவும். \n" "வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும். \n" "இருமுறை சொடுக்கு செய்யவும்: பார்வையை மீட்டமைக்கவும். \n" "\n" "மேனிபுலேசன் பிளேனை அமைக்க, ஒரு பாண்டில் இடது சொடுக்கு செய்து இழுக்கவும் \n" "கோணத்தை மாற்ற பாண்டில் உள்ள அணுக்களில் ஒன்றை இடது சொடுக்கு செய்து இழுக்கவும் \n" "நீளத்தை மாற்ற, பிணைப்பில் உள்ள அணுக்களில் ஒன்றை வலது சொடுக்கு செய்து இழுக்கவும்" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "பத்திர மைய கையாளுதல் கருவி." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "பிணைப்பு நீளம் மற்றும் கோணங்களை மாற்றுவதன் மூலம் மூலக்கூறு வடிவவியலைத் திருத்த பயன்படும் " "கருவி." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "பிணைப்பு அணுக்கள்" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "பத்திர ஆர்டர்களை உணருங்கள்" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "பத்திரங்களை அகற்று" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "பிணைப்பை உள்ளமைக்கவும்…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "பிணைப்பு தேர்ந்தெடுக்கப்பட்ட அணுக்கள்" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "கடனீடு" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "எல்லா அல்லது தேர்ந்தெடுக்கப்பட்ட அணுக்களிலிருந்தும் பிணைப்புகளை அகற்றவும்." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "அனைத்து அல்லது தேர்ந்தெடுக்கப்பட்ட அணுக்களுக்கிடையில் பிணைப்புகளை உருவாக்கவும்." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "பத்திர ஆர்டர்களை உணருங்கள்." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "பிணைப்பு" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "பிணைப்பு நடவடிக்கைகளைச் செய்யுங்கள்." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "முதுகெலும்பு" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "சுவடு" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "தூம்பு" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "ரிப்பன்" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "எளிய கார்ட்டூன்" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "கார்ட்டூன்" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "கயிறு" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "உயிர் மூலக்கூறு ரிப்பன்கள் / கார்ட்டூன்களின் காட்சி." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "சென்ட்ராய்டு சேர்க்கவும்" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "வெகுசன மையத்தைச் சேர்க்கவும்" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "செங்குத்தாக சேர்க்கவும்" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "சென்ட்ராய்டு" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "சென்ட்ராய்டுகள் மற்றும் சென்டர்-ஆஃப்-வெகுசன சேர்க்கவும்." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "அதிகபட்ச தூரம்:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "வரி அகலம்:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "தொடர்பு" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "உப்பு பாலம்" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "விரட்டுதல்" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "அணுக்களுக்கு இடையில் நெருக்கமான தொடர்புகளை வழங்கவும்." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "நீட்டிப்புகள்" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "ச்கிரிப்ட்கள்" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "வெளியீட்டு கோப்பை '%1' வாசிப்பதில் பிழை:\n" " %2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "செயலாக்கம் %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "பைதான் மொழிபெயர்ப்பாளருக்கு பாதையை அமைக்கவும்:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "வெளிப்புற ச்கிரிப்ட்களை இயக்க பைதான் மொழிபெயர்ப்பாளரைத் தேர்ந்தெடுக்கவும்.\n" " ஏதேனும் மாற்றங்கள் நடைமுறைக்கு வர அவோகாட்ரோ மறுதொடக்கம் செய்யப்பட வேண்டும்." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "கட்டளை ச்கிரிப்ட்கள்" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "வெளிப்புற ச்கிரிப்ட் கட்டளைகளை இயக்கவும்" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "பைதான் அமைப்புகள்…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "பைத்தானை நிறுவவும்" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "பல அவோகாட்ரோ அம்சங்களுக்கு பைதான் பயன்படுத்தப்படுகிறது. பைத்தானை பதிவிறக்கம் செய்ய " "விரும்புகிறீர்களா?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurepython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "பைதான் சூழல்களை உள்ளமைக்கவும்." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "மற்றொன்று…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "கட்டுப்பாடுகள்…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "& கணக்கிடுங்கள்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "கட்டுப்பாடுகள்" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "வடிவியல் மேம்படுத்தல்களுக்கான கட்டுப்பாடுகளை அமைக்கவும்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "தூரம்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "கோணம்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "முறுக்கு கோணம்" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "உறையவை அணு" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "ஃப்ரீச் ஃச் அச்சு" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "ஒய் அச்சை உறைய வைக்கவும்" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "சட் அச்சை உறைய வைக்கவும்" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "வகை" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "மதிப்பு" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "அணு 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "அணு 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "அணு 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "அணு 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "அணு மற்றும் ஒருங்கிணைப்பு எடிட்டர்…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "ஒருங்கிணைப்பு ஆசிரியர்" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "அணு ஒருங்கிணைப்புகளின் உரை திருத்துதல்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "மாற்றங்களை மேலெழுதவா?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "உரை ஆவணம் மாற்றியமைக்கப்பட்டுள்ளது. உங்கள் மாற்றங்களை நிராகரித்து தற்போதைய மூலக்கூறுக்கு " "திரும்ப விரும்புகிறீர்களா?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "வரியில் மிகக் குறைவான உள்ளீடுகள்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "தவறான உறுப்பு பெயர்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "உறுப்பு பெயர்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "தவறான உறுப்பு அடையாளம்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "உறுப்பு அடையாளம்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "தவறான அணு சிட்டை." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "தவறான அணு அட்டவணை." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "அணு அட்டவணை." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "தவறான அணு எண்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "அணு எண்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "தவறான ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "ஃச் ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "ஒய் ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "சட் ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'ஒரு' லட்டு ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'பி' லட்டு ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'சி' லட்டு ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "வடிவவியலைப் பயன்படுத்துவதில் பிழை" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "வடிவியல் விவரக்குறிப்பை அலச முடியவில்லை. சிறப்பிக்கப்பட்ட பிழைகளை சரிசெய்து மீண்டும் " "முயற்சிக்கவும்.\n" "\n" " (குறிப்பு: பிழையின் விளக்கத்திற்கு சிவப்பு உரைக்கு மேல் சுட்டியைப் பிடித்துக் கொள்ளுங்கள்.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "அணு ஒருங்கிணைப்புகளைத் திருத்தவும்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "தனிப்பயன்" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ வடிவம் (சின்னங்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ வடிவம் (பெயர்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ வடிவம் (அணு எண்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "லட்டு ஆயத்தொலைவுகள்" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "லட்டு ஆயத்தொலைவுகள்" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "லட்டு ஆயத்தொலைவுகள் (அணு எண்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "கேமச் வடிவம் (சின்னங்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "கேமச் வடிவம் (பெயர்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "டர்போமோல் வடிவம்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "நகலெடு" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "வெட்டு" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "நீக்கு" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "ஒட்டு (&p)" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "புன்னகைகள்" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "அங்குலங்கள்" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "திருத்து (&e)" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "என நகலெடுக்கவும்" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "பிழை கிளிப்பிங் மூலக்கூறு" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "கிளிப்போர்டு தரவை உருவாக்குவதில் பிழை." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "வெளியீட்டு வடிவம்: %1\n" " %2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "வாசகர் பிழை:\n" " %1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "பிழை ஒட்டுதல் மூலக்கூறு" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "மூலக்கூறு ஒட்ட முடியாது: கிளிப்போர்டு காலியாக உள்ளது!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "கிளிப்போர்டு தரவைப் படிப்பதில் பிழை." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "கண்டறியப்பட்ட வடிவம்: %1\n" " %2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "நகலெடுத்து ஒட்டவும்" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "கிளிப்போர்டுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "& சிபி 2 கே…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "சிபி 2 கே உள்ளீடு" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "CP2K க்கு உள்ளீட்டை உருவாக்கவும்." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "ஆற்றல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "ஆற்றல் மற்றும் சக்திகள்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "வடிவியல் தேர்வுமுறை" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "மின்னணு கட்டமைப்பு முறைகள் (டி.எஃப்.டி)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "மூலக்கூறு இயக்கவியல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "கலப்பின குவாண்டம் பாரம்பரிய (இன்னும் ஆதரிக்கப்படவில்லை)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "எவால்ட்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "எதுவுமில்லை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "Pme" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "Spme" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "அணு" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "வயிரம்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "அடர்த்தி" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "History_Restart" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "மோபாக்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "சீரற்ற" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "மறுதொடக்கம்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "சிதறல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "பிராய்டன்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "இணை சாய்வு" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "கடவுள்கள்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "செங்குத்தான வம்சாவளி" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "உள்ளீட்டு கோப்பு மாற்றியமைக்கப்பட்டுள்ளது. புதிய வடிவியல் அல்லது வேலை விருப்பங்களை " "பிரதிபலிக்க உங்கள் மாற்றங்களை மேலெழுத விரும்புகிறீர்களா?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "மாற்றியமைக்கப்பட்ட உள்ளீட்டு கோப்பை மேலெழுதவா?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "CP2K உள்ளீட்டு கோப்பை சேமிக்கவும்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "CP2K கணக்கீட்டை சமர்ப்பிக்கவும்" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "கிளிப்போர்டிலிருந்து படிகத்தை இறக்குமதி செய்யுங்கள்…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "அலகு கலத்தை மாற்றவும்" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "அலகு கலத்தைத் திருத்து…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "& அலகு கலத்திற்கு அணுக்களை மடக்கு" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "நிலையான மற்றும் நோக்குநிலைக்கு சுழற்றுங்கள்" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "அளவிலான செல் & தொகுதி…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "உருவாக்க & சூப்பர்செல்…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "கலத்தைக் குறைக்கவும் (& niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "& படிக" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "அலகு கலத்தை அகற்று" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "சேர் & யூனிட் செல்" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "கிளிப்போர்டிலிருந்து படிகத்தை இறக்குமதி செய்யுங்கள்" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "அலகு கலத்தில் அணுக்களை மடிக்கவும்." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "அலகு கலத்தை நிலையான நோக்குநிலைக்கு சுழற்றுங்கள்." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "நிக்லி படிகத்தைக் குறைக்கிறார்" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "யூனிட் செல் ஏற்கனவே குறைக்கப்பட்டுள்ளது." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "படிகம்" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "படிக-குறிப்பிட்ட எடிட்டிங்/பகுப்பாய்விற்கான கருவிகள்." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "வண்ண அச்சுகள்:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "வரி நிறம்:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "அலகு செல் எல்லைகளை வழங்கவும்." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "உரையை அலச முடியாது" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "வழங்கப்பட்ட வடிவத்துடன் தரவைப் படிக்கத் தவறிவிட்டது." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "யூனிட் செல் இல்லை." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "யூனிட் செல் எடிட்டர்" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "ஒற்றை செல் மேட்ரிக்சைப் புறக்கணித்தல்" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "ஒற்றைப் பகுதி செல் மேட்ரிக்சைப் புறக்கணித்தல்" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "மறுசீரமைத்தல் & தனிப்பயன் கூறுகள்…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "தற்போதைய மூலக்கூறில் தனிப்பயன் உறுப்பு வகைகளை கையாளவும்." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "தனிப்பயன் கூறுகள்" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "இருமுனைத் திருப்பம்" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "மூலக்கூறின் இருமுனை தருணத்தை வழங்கவும்." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "டிரா" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "வரைதல் கருவி (% 1) \n" "\n" "இடது சுட்டி: அணுக்கள் மற்றும் பிணைப்பை உருவாக்க சொடுக்கு செய்து இழுக்கவும் \n" "வலது சுட்டி: அணுவை நீக்கு" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "அணுவை வரைய" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "பிணைப்பு வகையை மாற்றவும்" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "பிணைப்பை அகற்று" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "தூரம்:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "ஆசிரியர் கருவி" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "தானியங்கி" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "ஒற்றை" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "இரட்டை" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "மும்மை" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "& இறக்குமதி" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB ஐப் பெறுங்கள்" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB மூலக்கூறைப் படிக்க முடியவில்லை: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "பி.டி.பி குறியீடு" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "பதிவிறக்க வேதியியல் அமைப்பு." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "தவறான PDB குறியீடு" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB குறியீடு சரியாக 4 எழுத்துக்கள் நீளமாக இருக்க வேண்டும்." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB குறியீட்டின் முதல் எழுத்து 1-9 ஆக இருக்க வேண்டும்." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "%1 க்கு வினவல்" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "பிணையம் பதிவிறக்கம் தோல்வியடைந்தது" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "பிணைய நேரம் முடிந்தது அல்லது பிற பிழை." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "குறிப்பிட்ட மூலக்கூறைக் கண்டுபிடிக்க முடியவில்லை: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB இலிருந்து பெறுங்கள்" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "புரத தரவு வங்கியில் இருந்து PDB மாதிரிகளைப் பதிவிறக்கவும்" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "கவனம் தேர்வு" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "ஐச்போகச்" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "குவி" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "குறிப்பிட்ட அம்சங்களில் பார்வையில் கவனம் செலுத்துங்கள்." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "மூலக்கூறின் அணுக்களுக்கான படை புலம் காட்சிப்படுத்தல்களை வழங்கவும்." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "படைகள்" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "உள்ளமைக்கவும்…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "தேர்ந்தெடுக்கப்பட்ட அணுக்களை முடக்கம்" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "ஃப்ரீச் ஃச்" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "ஃப்ரீச் ஒய்" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "ஃப்ரீச் சட்" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "உறைந்த தேர்ந்தெடுக்கப்பட்ட அணுக்கள்" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "தேர்ந்தெடுக்கப்பட்ட அணுக்களை இணைக்கவும்" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "தேர்ந்தெடுக்கப்பட்ட அணுக்களை அவிழ்த்து விடுங்கள்" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "அவோகாட்ரோ" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "தேர்வுமுறைக்கு அணுக்கள் எதுவும் வழங்கப்படவில்லை" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "சக்தி: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 ஆற்றல் = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 படை விதிமுறை = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "ஃபோர்ச்ஃபீல்ட் தேர்வுமுறை" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "ஃபோர்ச்ஃபீல்ட் குறைத்தல், ச்கிரிப்ட்கள் உட்பட" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "விருப்பங்கள்…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "தவறான மாதிரி விருப்பங்கள்" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "'% 1' மாதிரிக்கான பயனர் விருப்பங்களை அலச முடியவில்லை." #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "% 1 விருப்பங்கள்" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "தன்னியக்க (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "யுனிவர்சல் ஃபோர்ச் புலம்" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "பொதுவான அம்பர் படை புலம்" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "மெர்க் மூலக்கூறு படை புலம் 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "& கேமச்…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "கேமச் உள்ளீடு" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "கேமசுக்கு உள்ளீட்டை உருவாக்குங்கள்." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "ஒற்றை புள்ளி" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "சமநிலை வடிவியல்" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "மாற்றம் நிலை" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "அலைவெண்கள்" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "EFP ஐ உருவாக்கவும்" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "மைய சாத்தியம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "எதுவுமில்லை" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "தட்டுங்கள்" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "நான்" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "மகள்" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "வளிமம்" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "நீர்" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "சிங்கிள்" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "இரட்டிப்பாகும்" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "மும்மடங்கு" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "வாய்சொல்" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "கேசன்" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "நடுநிலை" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "நேர்மின்னூட்டணு" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "டயானியன்" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "கேமச் உள்ளீட்டு கோப்பை சேமிக்கவும்" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "கேமச் கணக்கீட்டை சமர்ப்பிக்கவும்" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "& ஐட்ரசன்களை சரிசெய்யவும்" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "ஐட்ரசன்களைச் சேர்க்கவும்" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "கூடுதல் ஐட்ரசனை அகற்றவும்" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "அனைத்து ஐட்ரசன்களையும் அகற்றவும்" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "தற்போதைய மூலக்கூறிலிருந்து ஐட்ரசன்களைச் சேர்க்கவும்/அகற்றவும்." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "& ஐட்ரசன்கள்" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "ஐட்ரசன்கள்" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "& PQR ஐத் தேடுங்கள்…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR இலிருந்து இறக்குமதி" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR இலிருந்து ஒரு மூலக்கூறைப் பதிவிறக்கவும்." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "டி.என்.ஏ/ஆர்.என்.ஏ…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "& செருகவும்" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "டி.என்.ஏ/ஆர்.என்.ஏவைச் செருகவும்…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "உ" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "யுரேசில்" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "டி" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "தைமின்" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "மூலக்கூறு செருகவும்…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "3D மூலக்கூறு உருவாக்குகிறது…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "செருகல்" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "டி.என்.ஏ / ஆர்.என்.ஏ துண்டுகளை ஒரு உரையாடல் மூலம் செருகவும்." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "மூலக்கூறு…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "படிக…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "கோப்பைப் படிப்பதில் பிழை (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "படிக இறக்குமதி" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "துண்டு செருகவும்" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "இன்செர்ட்ஃப்ராக்மென்ட்" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "பெரிய மூலக்கூறுகளை உருவாக்குவதற்கு மூலக்கூறு துண்டுகளை செருகவும்." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "பெப்டைட்…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "பெப்டைடைச் செருகவும்" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "InsertPeptide" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "ஒலிகோபெப்டைட் வரிசைகளைச் செருகவும்." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "வண்ணம்:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "மையத்திலிருந்து தூரம்:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "சிட்டை அளவு:" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "குறியெண்" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "தனித்துவமான ஐடி" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "தனிமம்" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "உறுப்பு & எண்" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "உறுப்பு & ஐடி" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "பகுதி கட்டணம்" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "அணு லேபிள்:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "நீளம்" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "பிணைப்பு லேபிள்:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ஐடி" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "பெயர்" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "பெயர் & அடையாளம்" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "எச்ச லேபிள்:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "பந்து மற்றும் குச்சி பாணியில் லேபிள்களைக் காண்பி." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "லேபிள்களைத் திருத்து" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "ஆட்டம் சிட்டை கருவி \n" "\n" "இடது சுட்டி: தனிப்பயன் லேபிள்களைச் சேர்க்க அணுக்களைக் சொடுக்கு செய்யவும்" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "லேபிளை உருவாக்கவும்" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "சிட்டை எடிட்டர் கருவி" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "& லாம்ச்…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS உள்ளீடு" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "LAMMPS க்கான உள்ளீட்டை உருவாக்குங்கள்." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Lammps உள்ளீட்டு டெக் முன்னோட்ட பலகத்தில் செய்யப்பட்ட அனைத்து மாற்றங்களையும் இழந்து முன்னோட்ட " "உரையைப் புதுப்பிக்க விரும்புகிறீர்களா?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "ஒளிபுகாநிலை:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "அணுக்களை லைகோரைச் / குச்சிகளாக வழங்கவும்." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "புன்னகைகள்…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "அங்குலம்…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "விளக்கங்கள் எதுவும் கிடைக்கவில்லை!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "வரி வடிவமைப்பு வாசகர்கள் எதுவும் கிடைக்கவில்லை!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "கோரப்பட்ட வடிவமைப்பு வாசகரை ஏற்ற முடியவில்லை." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "ஆயங்கள் எதுவும் இல்லை!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "3D ஆயங்களை உருவாக்க முடியவில்லை." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "வரிவடிவஉள்ளிடு" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "உள்ளீட்டு உரையாடல் மூலம் ஒற்றை வரி மூலக்கூறு விளக்கங்களை ஏற்றவும்." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "கையாளுதல்" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "கையாளுதல் கருவி (% 1) \n" "\n" "இடது சுட்டி: அணுக்களை நகர்த்த சொடுக்கு செய்து இழுக்கவும் \n" "வலது சுட்டி: அணுக்களை சுழற்ற சொடுக்கு செய்து இழுக்கவும்." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "கருவி கையாளுதல்" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "அளவீடு" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "அளவீட்டு கருவி (% 1) \n" "\n" "இடது சுட்டி: நான்கு அணுக்கள் வரை தேர்ந்தெடுக்கவும். \n" "தூரம் 1-2 மற்றும் 2-3 இடையே அளவிடப்படுகிறது \n" "2 ஐப் பொதுப் புள்ளியாகப் பயன்படுத்தி 1-3க்கு இடையே கோணம் அளவிடப்படுகிறது \n" "டைஎட்ரல் 1-2-3-4 இடையே அளவிடப்படுகிறது \n" "வலது சுட்டி: அளவீடுகளை மீட்டமைக்கவும்." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "டைஎட்ரல்:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "கோணம்:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "அளவீட்டு கருவி" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(நிலுவையில் உள்ளது)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "சொத்து" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "மூலக்கூறு பெயர்" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "மூலக்கூறு நிறை (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "மோனோஐசோடோபிக் நிறை (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "வேதியியல் தேற்றம்" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "அணுக்களின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "பத்திரங்களின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "ஒருங்கிணைப்பு தொகுப்புகள்" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "எச்சங்களின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "சங்கிலிகளின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "நிகர கட்டணம்" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "நிகர சுழல் பெருக்கம்" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "இருமுனை கணம் (டெபி)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "ஓமோ எனர்சி (ஈ.வி)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "லுமோ எனர்சி (ஈ.வி)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "சோமோ ஆற்றல் (ஈ.வி)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "மொத்த ஆற்றல் (ஆர்ட்ரீ)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "சுழிய புள்ளி ஆற்றல் (கிலோகலோரி/மோல்)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "என்டல்பி (கிலோகலோரி/மோல்)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "என்ட்ரோபி (கிலோகலோரி/மோல் • கே)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "கிப்ச் இலவச ஆற்றல் (கிலோகலோரி/மோல்)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "புள்ளி குழு" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "& மூலக்கூறு…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "ஒரு மூலக்கூறின் பொதுவான பண்புகளைக் காண்க." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&பாகுபடுத்து" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "& பண்புகள்" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "மூலக்கூறு பண்புகள்" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "மூலக்கூறு பண்புகள்" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "காபிம ஏற்றுமதி" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "காபிம கோப்புகள் (*.csv) ;; அனைத்து கோப்புகளும் (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "எழுதுவதற்கு கோப்பைத் திறக்க முடியவில்லை." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "கோப்பில் எழுதுவதில் பிழை." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "ஏற்றுமதி…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "செல்லவும்" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "வழிசெலுத்தல் கருவி (% 1) \n" "\n" "இடது சுட்டி: பார்வையை சுழற்ற சொடுக்கு செய்து இழுக்கவும். \n" "நடு சுட்டி: பெரிதாக்க அல்லது பெரிதாக்க சொடுக்கு செய்து இழுக்கவும். \n" "வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "ஃச், ஒய், அல்லது சட் அச்சுகளுடன் காட்சியை சுழற்றுங்கள்." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "காட்சியை பெரிதாக்கவும்." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "காட்சியை மொழிபெயர்க்கவும்." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "சுருளில் பெரிதாக்கத்தின் தலைகீழ் திசை" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "இயல்புநிலை: சுருங்க கீழே உருட்டவும், பெரிதாக்க மேலே உருட்டவும் \n" "தலைகீழானது: சுருங்க மேலே உருட்டவும், பெரிதாக்க கீழே உருட்டவும்" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "கருவி செல்லவும்" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "வேதியியல் பெயர்" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "பிணைய தரவுத்தளங்கள்" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "நிகழ்நிலை தரவுத்தளங்கள், வினவல் கட்டமைப்புகள் போன்றவற்றுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "கோண சகிப்புத்தன்மை:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "உப்பீனி" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "சால்கோசன்" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "கோவலன்ட் அல்லாத சில தொடர்புகளை வழங்கவும்." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "படை புலத்தை உள்ளமைக்கவும்…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "இணங்குபவர் தேடல்…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "பத்திரங்களை உணருங்கள்" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "pH க்கு ஐட்ரசன்களைச் சேர்…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "ஐட்ரசன்களை அகற்று" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 கண்டுபிடிக்கப்படவில்லை! திறந்த பாபல் சொருகி செயல்களை முடக்குதல்." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "& திறந்த பாபல்" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "திறந்த பாபல் கோப்பு வடிவங்கள் சேர்க்க தயாராக இல்லை." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "திறந்த பாபலில் இருந்து மூலக்கூறு ஏற்றுகிறது…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "ஒரு உள் பிழை ஏற்பட்டது: OpenBabel :: ReadMolocule அழைக்கப்படுகிறது, ஆனால் அலசுக்கு " "ஒபாபெல் வெளியீடு எதுவும் கிடைக்கவில்லை!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "திறந்த பாபலை (%1) இயக்கும் போது பிழை ஏற்பட்டது." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "ஓபன் பேபல் வெளியீட்டை பாகுபடுத்துகிறது." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "ஆதரிக்கப்பட்ட ஃபோர்ச்ஃபீல்டுகளின் பட்டியலை மீட்டெடுக்கும் போது பிழை ஏற்பட்டது. ('%1' ஐப் " "பயன்படுத்துதல்)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "மூலக்கூறு தவறானது. வடிவவியலை மேம்படுத்த முடியாது." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "திறந்த பாபலுடன் வடிவவியலை மேம்படுத்த முடியாது." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "வடிவவியலை மேம்படுத்துதல் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "தற்போதைய மூலக்கூறின் திறந்த பாபல் பிரதிநிதித்துவத்தை உருவாக்கும் போது உள் பிழை ஏற்பட்டது." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "தொடங்கி %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "%2 இன் படி %1\n" "தற்போதைய ஆற்றல்: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "மூலக்கூறைப் புதுப்பித்தல்…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "திறந்த பாபல் வெளியீட்டை விளக்குவதில் பிழை." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "obabel வெளியீட்டில் உள்ள அணுக்களின் எண்ணிக்கை (%1) அசல் மூலக்கூறில் (%2) அணுக்களின் " "எண்ணிக்கையுடன் பொருந்தவில்லை." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "மூலக்கூறு தவறானது. கன்ஃபார்மர்களை உருவாக்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "திறந்த பாபலுடன் கன்ஃபார்மர்களை உருவாக்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "இணங்குபவர்களை உருவாக்குதல் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "இணங்குபவர்களை உருவாக்குங்கள்" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "திறந்த பாபலுடன் கோப்பைத் திறக்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "தவறான மூலக்கூறு: பிணைப்புகளை உணர முடியாது." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "பிணைப்புகளை உணரும் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "XYZ பிரதிநிதித்துவத்தை உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "XYZ சரம் உருவாக்கும் பிழை." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "%1 உடன் பாபலை திறக்க XYZ ஐ மாற்றுவது…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "திறந்த பாபலில் இருந்து மூலக்கூறைப் புதுப்பித்தல்…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "திறந்த பாபலுடன் ஐட்ரசன்களைச் சேர்க்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "ஐட்ரசன்களைச் சேர்ப்பது (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "திறந்த பாபல் உள்ளீட்டை உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "திறந்த பாபல் உள்ளீட்டை உருவாக்கும் பிழை." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "இயங்கும் %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "pH க்கு ஐட்ரசன்களைச் சேர்" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "ph:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "ஒபாபல் உள்ளீட்டை உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "திறந்த பாபல் மூலம் ஐட்ரசன்களை அகற்ற முடியாது." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "ஐட்ரசன்களை அகற்றுதல் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "திறந்த பாபல் தரவை உருவாக்கும் பிழை." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "obabel வெளியீட்டைப் படித்தல்…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "ஏற்கனவே திறந்த பாபலை இயக்குகிறது. மற்ற செயல்பாடு முடிவடையும் வரை காத்திருந்து மீண்டும் " "முயற்சிக்கவும்." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "கூட்டம்" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "ஓபன் பேபல் பயன்பாடுகளுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "& Openmm ச்கிரிப்ட்…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM உள்ளீடு" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "OpenMM க்கான உள்ளீட்டை உருவாக்கவும்." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "ஓபன்எம்எம் உள்ளீட்டு டெக் முன்னோட்ட பலகத்தில் செய்யப்பட்ட அனைத்து மாற்றங்களையும் இழந்து முன்னோட்ட " "உரையை புதுப்பிக்க விரும்புகிறீர்களா?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "இன்ச்ர்டு" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "க்ரோ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "Input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "பி.டி.பி." #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "பிர்ம்டாப்" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "மேலே" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "உண்மை" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "காட்சியின் மூலையில் குறிப்பு அச்சுகளை வழங்கவும்." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "செருகுநிரல்களை நிர்வகி…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "தொகுப்பு நிறுவி" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "Avogadro தொகுப்புகளை நிறுவவும், புதுப்பிக்கவும் மற்றும் அகற்றவும்." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "செருகுநிரல் பட்டியலைப் பதிவிறக்குவதில் பிழை: % 1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "பிழை: சர்வரில் இருந்து வெற்று பதில்." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "README ஐப் பெறுவதில் பிழை: % 1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "எதுவும் தேர்ந்தெடுக்கப்படவில்லை" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "செருகுநிரலுக்கு அடுத்துள்ள பெட்டியை நிறுவ அல்லது புதுப்பிக்கவும்." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "% 1 (% 2 தேவை)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "பதிப்பு இணக்கமின்மை" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "பின்வரும் செருகுநிரல்களுக்கு Avogadro இன் புதிய பதிப்பு தேவைப்படுகிறது: \n" "\n" "% 1 \n" "\n" "எப்படியும் நிறுவவா?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "பதிவிறக்கம் இல்லை" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "தேர்ந்தெடுக்கப்பட்ட செருகுநிரல்(கள்) தரவிறக்கம் செய்யக்கூடிய மூல முகவரி ஐ வழங்கவில்லை: \n" "\n" "% 1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "% 1ஐப் பதிவிறக்கும் போது திசைதிருப்புதலைப் பின்பற்ற முடியவில்லை.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "% 1 இலிருந்து பதிவிறக்கம் செய்ய முடியவில்லை: நிலை% 2,% 3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "% 1: %2 இலிருந்து பதிவிறக்கம் செய்ய முடியவில்லை\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1 முதல் %2 வரை பதிவிறக்குகிறது\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "% 1ஐ பிரித்தெடுக்கிறது…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "பிரித்தெடுத்தல் முடிந்தது (% 1 கோப்புகள்)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "பிழை: பிரித்தெடுக்கப்பட்ட தொகுப்பு% 1 க்கு% 2 க்கு நகர்த்த முடியவில்லை\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "பிரித்தெடுத்தல் பிழை:% 1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "பிரித்தெடுத்தல் கோப்புகள் எதுவும் கிடைக்கவில்லை.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "நிறுவல் முடிந்தது.\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "அகற்ற எதுவும் இல்லை" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "அதை அகற்ற நிறுவப்பட்ட செருகுநிரலுக்கு அடுத்துள்ள பெட்டியை சரிபார்க்கவும்." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "செருகுநிரல்களை அகற்று" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "தேர்ந்தெடுக்கப்பட்ட %n செருகுநிரலை(களை) அகற்றவா?" msgstr[1] "தேர்ந்தெடுக்கப்பட்ட %n செருகுநிரலை(களை) அகற்றவா?" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "கோப்புகளை வைத்திருங்கள்" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "கோப்புகளை நீக்கு" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "செருகுநிரல் கோப்பகத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "தவறான கோப்பகம்" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "தேர்ந்தெடுக்கப்பட்ட கோப்பகத்தில் pyproject.toml கோப்பு இல்லை." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "செருகுநிரல் ஏற்கனவே சிம்லிங்காக நிறுவப்பட்டுள்ளது: % 1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "உருவாக்கப்பட்ட சிம்லிங்க்: % 1 →% 2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "சிம்லிங்க் உருவாக்கம் தோல்வியடைந்தது; அதற்கு பதிலாக கோப்புகளை நகலெடுக்கிறது…\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "தொகுப்பை %1க்கு நகலெடுக்க முடியவில்லை." #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "% 1 இலிருந்து செருகுநிரலை நிறுவுகிறது…\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "நிறுவப்படவில்லை" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "நிறுவப்பட்டது (இன்று வரை)" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "புதுப்பிப்பு கிடைக்கிறது" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "உள்நாட்டில் நிறுவப்பட்டது (ஆன்லைன் பட்டியலில் இல்லை)" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "அவகாட்ரோ % 1 அல்லது அதற்குப் பிறகு தேவை (% 2 இயங்குகிறது)" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "அம்ச சின்னங்கள்: \n" "% 1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "நிலை" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "பதிப்பு" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "நற்பொருத்தங்கள்" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "விவரம்" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "நிலைமின்னியல்" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "ஆற்றல் மாதிரிகள்" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "கோப்பு வடிவங்கள்" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "உள்ளீடு செனரேட்டர்கள்" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "கட்டளைகள்" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "பிழை: உள்ளடக்கங்களை பட்டியலிட zip கோப்பை திறக்க முடியவில்லை. \n" "(% 1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "பிழை: கோப்புகளைப் பிரித்தெடுக்க சிப் கோப்பைத் திறக்க முடியவில்லை. \n" "(% 1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "எச்சரிக்கை: (% 1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "வீரர்" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "அனிமேசன் கருவி (% 1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "சட்டகம்:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "தொடக்கம்:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "முடிவு:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "மாறும் பிணைப்பு?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "பிரேம் வீதம்:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " Fps" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "விளையாடுங்கள்" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "பதிவு…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "இடைநிறுத்தம்" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "திரைப்படம் (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "பிட்மேப் கிராபிக்ச் ஏற்றுமதி" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "திரைப்படம் (*.mp4) ;; திரைப்படம் (*.avi) ;; gif (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "Gif (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS உதவி எச்சரிக்கையை ஆதரிக்கிறது" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF கோப்பு வடிவம் 100 FPS க்கு மேல் பிரேம் விகிதங்களை ஆதரிக்காது." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "திரைப்படம் (*.வி)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "பிழை: வீடியோவில் சட்டத்தை சேர்க்க முடியாது." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "பிளேயர் கருவி" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "மீண்டும் பாதைகளை விளையாடுங்கள்" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "ப்ளாட் கன்ஃபார்மர் தரவு…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "கன்ஃபார்மர் பகுப்பாய்வு" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "அடுக்கு வகை:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "Rmsd" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "வேகங்கள்" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "ஆற்றல் அலகுகள்:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "பெறுநர்" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "உறவினர் ஆற்றல் (% 1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "படைகள் (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "வேகங்கள் (மீ/வி)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "PlotConformer" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "கன்ஃபார்மர் தரவை (RMSD அல்லது ஆற்றல்) உருவாக்கித் திட்டமிடுங்கள்." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "சூழ்ச்சி இணை விநியோக செயல்பாடு…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "PDF வடிவத்தை உருவாக்கத் தவறிவிட்டது" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "பிழை செய்தி: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "Poutpdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "ஒரு இணை விநியோக செயல்பாட்டு வளைவை உருவாக்கி திட்டமிடுங்கள்." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "சூழ்ச்சி கோட்பாட்டு எக்ச்ஆர்டி முறை…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "எக்ச்ஆர்டி வடிவத்தை உருவாக்கத் தவறிவிட்டது" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "மூலக்கூறு CIF வடிவத்திற்கு மாற்றுவதில் தோல்வி." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Genxrdpattern இலிருந்து படித்த தரவு ஊழல் நிறைந்ததாகத் தெரிகிறது!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "பிழை: genxrdpattern இயங்கக்கூடியதாக கண்டுபிடிக்க முடியவில்லை!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "பிழை: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "Poutxrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "ObjCryst ++ ஐப் பயன்படுத்தி ஒரு தத்துவார்த்த எக்ச்ஆர்டி வடிவத்தை உருவாக்கி திட்டமிடுங்கள்." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "புதுப்பிப்பு" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "சொருகி தரவை பதிவிறக்குவதில் பிழை." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "சொருகி தரவை பாகுபடுத்துவதில் பிழை." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "இந்த சொருகி சில தொகுப்புகளை நிறுவ வேண்டும்.\n" " அவற்றை நிறுவ விரும்புகிறீர்களா?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "எப்போதும்" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "ஒருபோதும்" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "%1 இலிருந்து பதிவிறக்கம் செய்யத் தவறிவிட்டது: நிலை குறியீடு %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1 முதல் %2 வரை பிரித்தெடுக்கிறது\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1 கோப்புகள் முடிந்தது\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "பிரித்தெடுத்தல் வெற்றிகரமாக\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "பிரித்தெடுக்கும் போது பிழை: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "நிறுவல் ரத்து செய்யப்பட்டது\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "செருகுநிரல்களைப் பதிவிறக்குக…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "செருகுநிரல்களைப் பதிவிறக்கவும்" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "அறிவிலிமையம் களஞ்சியங்களிலிருந்து செருகுநிரல்களைப் பதிவிறக்கவும்." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Ply render…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "கோப்பை சேமி" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "Ply (*.பிளி) ;; உரை கோப்பு (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "Ply" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "பிளை பயன்படுத்தி காட்சியை வழங்கவும்." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "போவ்-ரே ரெண்டர்…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "Pov-ray (*.pov) ;; உரை கோப்பு (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "போவ்ரே" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "POV-RAY ஐப் பயன்படுத்தி காட்சியை வழங்கவும்." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "நிறத்தை மாற்ற சொடுக்கு செய்யவும்" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "இணைதிறன்" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "முறையான கட்டணம்" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 பகுதி கட்டணம்" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "ஃச் (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "ஒய் (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "சட் (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "சிட்டை" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "ஓரிடமி" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "நிறம்" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "அணு" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "அணுவைத் தொடங்கவும்" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "இறுதி அணு" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "பாண்ட் ஆணை" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "நீளம் (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "சங்கிலி" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "இரண்டாம் நிலை அமைப்பு" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "பன்முகத்தன்மை வாய்ந்த" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "வெர்டெக்ச்" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "(°) கோணம்" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "Rmsd (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "ஆற்றல் (கிலோகலோரி/மோல்)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "துண்டு சரிசெய்யவும்" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π எலிக்ச்" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "வளைவு" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α எலிக்ச்" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β தாள்" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 எலிக்ச்" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "பி பாலம்" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "திருப்பம்" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "சுருள்" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "அணு பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "பிணைப்பு பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "கோண பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "முறுக்கு பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "எச்ச பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "கன்ஃபார்மர் பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "அணு, பிணைப்பு, கோணம் மற்றும் முறுக்கு பண்புகளைக் காண்பிப்பதற்கும் திருத்துவதற்கும் " "அட்டவணைகள்." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "சொத்து டேபிள்ச்" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "அணு பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "பிணைப்பு பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "கோண பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "முறுக்கு பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "இணங்குபவர் பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "எச்ச பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "பகுதி கட்டணம் வகை" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "பகுதி கட்டண வகையைத் தேர்ந்தெடுக்கவும்:" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "கட்டண வகையை மாற்று…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "உறையவை அணு" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "ஃப்ரீச் ஃச்" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "ஃப்ரீச் ஒய்" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "ஃப்ரீச் சட்" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "அணுவை முடக்கு" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "கட்டுப் பாண்ட்" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "கட்டுப்படுத்தும் கோணம்" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "முறுக்கு கட்டுப்படுத்து" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "தடையை அகற்று" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "% 1 கோப்பை படிக்க முடியவில்லை." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "தற்காலிக கோப்பை உருவாக்க முடியவில்லை." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "Qtaim" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "QTaim பண்புகளைப் பயன்படுத்தி ஆதிமனிதர்களை வழங்குகிறது" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "மூலக்கூறு வரைபடம்…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "தனி சோடிகளுடன் மூலக்கூறு வரைபடம்…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "அணு கட்டணம்…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "WFN கோப்பைத் திறக்கவும்" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Wfn கோப்புகள் (*.wfn) ;; அனைத்து கோப்புகளும் (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Qtaim நீட்டிப்பு" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "எவ்வளவு உள்ளீடு" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "குவாண்டம் குறியீடுகளுக்கான உள்ளீட்டை உருவாக்குங்கள்." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "நடுவண்" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "அச்சுகளுக்கு பார்வையை சீரமைக்கவும்" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "அச்சுகளுக்கு பார்வையை சீரமைக்கவும்." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "பார்வையை மீட்டமை" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "பார்வை கேமராவை கையாளவும்." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "ச்கிரிப்ட் சார்ச் மாதிரிகள்" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "வெளிப்புற ச்கிரிப்ட்களிலிருந்து மின்னியல் மாதிரிகளை ஏற்றவும்." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "ச்கிரிப்ட் கோப்பு வடிவங்கள்" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "வெளிப்புற ச்கிரிப்ட்களிலிருந்து கோப்பு வாசகர்/எழுத்தாளர்களை ஏற்றவும்." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "அனைத்தையும் தெரிவுசெய்" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "எதுவுமில்லை என்பதைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "தலைகீழ் தேர்வு" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "உறுப்பு மூலம் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "அணு குறியீட்டால் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "எச்சத்தால் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "முதுகெலும்பு அணுக்களைத் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "சைட்செயின் அணுக்களைத் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "தண்ணீரைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "தேர்வு பெரிதாக்கு" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "தேர்வு சுருங்கவும்" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "தேர்விலிருந்து புதிய அடுக்கை உருவாக்கவும்" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "தேர்வுகளை மாற்றவும்" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "& தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "உறுப்பு தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "முதுகெலும்பைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "சைட்செயின் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "குறியீட்டால் அணுக்களைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "தேர்ந்தெடுக்க அணுக்கள்:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "அணுவைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "எச்சங்கள் மூலம் அணுக்களைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "தேர்ந்தெடுக்க எச்சங்கள்:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "எச்சத்தைத் தேர்ந்தெடுக்கவும்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "தேர்ந்தெடு" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "தேர்வு" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "தேர்வு கருவி (% 1) \n" "\n" "இடது சுட்டி: தனிப்பட்ட அணுக்கள், எச்சங்கள் அல்லது துண்டுகளை எடுக்க சொடுக்கு செய்யவும் \n" "அணுக்களின் வரம்பைத் தேர்ந்தெடுக்க இழுக்கவும் \n" "வலது சுட்டி: தேர்வை அழிக்க மூலக்கூறுக்கு வெளியே சொடுக்கு செய்யவும் \n" "தேர்வை மாற்ற கட்டுப்பாடு ஐப் பயன்படுத்தவும் மற்றும் தேர்வில் சேர்க்க மாற்றவும். \n" "இருமுறை சொடுக்கு செய்யவும்: முழு பகுதியையும் தேர்ந்தெடுக்கவும்." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "வண்ணப்பூச்சு அணுக்கள்" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "தேர்வு கருவி" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "புதிய அடுக்கு" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "விண்வெளி குழுவை உணருங்கள்…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "சமச்சீர்" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "சமச்சீரற்ற அலகுக்கு குறைக்கவும்" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "சகிப்புத்தன்மையை அமைக்கவும்…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "அலகு கலத்தை நிரப்பவும்…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "மொழிபெயர்ப்பு கலத்தை நிரப்பவும்…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "விண்வெளி குழு" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "படிக விண்வெளி குழுவின் அடிப்படையில் சமச்சீர் அணுக்களை நிரப்பவும்." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "படிக விண்வெளி குழுவின் அடிப்படையில் அனைத்து அணுக்களையும் நிரப்பவும்." #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "விண்வெளி குழுவை உணருங்கள்" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "விண்வெளி குழு ஏற்கனவே அமைக்கப்பட்டுள்ளது: %1.\n" " அதை மேலெழுத விரும்புகிறீர்களா?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "விண்வெளிக் குழுவின் கருத்து செய் பெற்றது: \n" "சகிப்புத்தன்மை: % 1 Å \n" "விண்வெளி குழு:% 2 \n" "ஆல் சின்னம்:% 3 \n" "பன்னாட்டு சின்னம்:% 4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "தோல்வி" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "விண்வெளி குழு கருத்து தோல்வியடைந்தது.\n" " வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்க விரும்புகிறீர்களா?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "பழமையான குறைப்பு" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "சகிப்புத்தன்மை தற்போது அமைக்கப்பட்டுள்ளது: %1.\n" " இந்த சகிப்புத்தன்மையுடன் தொடரவா?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "பழமையான குறைப்பு தோல்வியடைந்தது.\n" " தயவுசெய்து உங்கள் படிகத்தை சரிபார்த்து, வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்கவும்." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "வழக்கமான செல் தோல்வியுற்றது.\n" " தயவுசெய்து உங்கள் படிகத்தை சரிபார்த்து, வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்கவும்." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "சமச்சீர்நிலை தோல்வியடைந்தது.\n" " தயவுசெய்து உங்கள் படிகத்தை சரிபார்த்து, வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்கவும்." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "%1 Å சகிப்புத்தன்மையுடன், விண்வெளிக் குழுவின் செய்தி பின்வருமாறு உணரப்பட்டது: \n" "பன்னாட்டு எண்:% 2 \n" "ஆல் சின்னம்:% 3 \n" "பன்னாட்டு சின்னம்:% 4 \n" "\n" "இந்த ச்பேச் குழுவுடன் தொடரவா?" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "அவோகாட்ரோ 2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "சகிப்புத்தன்மையைத் தேர்ந்தெடுக்கவும்:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "ட்ரிக்ளினிக்" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "மோனோகிளினிக்" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "ஆர்த்தோர்ஓம்பிக்" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "டெட்ராகோனல்" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "முக்கோணம்" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "ரோம்போஎட்ரல்" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "அறுகோணமானது" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "கன நாற்கை" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "பழமையான செல் கண்டறியப்பட்டது" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "தற்போதைய அலகு செல் ஒரு பழமையான கலமாகத் தோன்றுகிறது (90° கோணங்கள் அல்ல), ஆனால் " "விண்வெளிக் குழு %1 மையப்படுத்தப்பட்ட வழக்கமான கலத்தை எதிர்பார்க்கிறது. \n" "\n" "யூனிட் கலத்தை நிரப்புவது எதிர்பாராத டூப்ளிகேட் அணுக்களை உருவாக்கலாம். \n" "\n" "முதலில் வழக்கமான கலத்தை உருவாக்க விரும்புகிறீர்களா?" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "கலத்தை இயல்பாக்குவதில் தோல்வி." #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "பன்னாட்டு" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "ஆல்" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "எர்மன்-மாகுயின்" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "படிக அமைப்பு" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "விண்வெளி குழுவைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "விண்வெளி குழு" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "படிகங்களுக்கான விண்வெளி குழு நற்பொருத்தங்கள்." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "சூழ்ச்சி நிறமாலை…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "ச்பெக்ட்ரா" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "ச்பெக்ட்ரா அடுக்குகளைக் காண்பி." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "அகச்சிவப்பு" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "ராமன்" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "அதிர்வு சிடி" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "காந்த குறுவட்டு" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "என்.எம்.ஆர்" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "மின்னணு" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "வட்ட டைக்ரோயிசம்" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "மாநிலங்களின் அடர்த்தி" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "பின்னணி நிறத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "முன்புற வண்ணத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "கணக்கிடப்பட்ட நிறமாலை வண்ணத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "ரா ச்பெக்ட்ரா நிறத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "இறக்குமதி செய்யப்பட்ட ச்பெக்ட்ரா வண்ணத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "அலைநீளம் (என்.எம்)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "அதிர்வெண் (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "அதிர்வு நிறமாலை" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "அலைவரிசை (cm⁻)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "பரவும் முறை" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "ராமன் ச்பெக்ட்ரா" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "தீவிரம்" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "அதிர்வு வட்ட டைக்ரோயிசம்" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "காந்த வட்ட இருக்ரோயிசம்" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "என்.எம்.ஆர் ச்பெக்ட்ரா" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "வேதியியல் மாற்றம் (பிபிஎம்)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "மின்னணு நிறமாலை" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "ஆற்றல் (ev)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "வட்ட டைக்ரோயிசம் ச்பெக்ட்ரா" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "அடர்த்தி" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "வழுவழுப்பானது" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "மூல" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "இறக்குமதி செய்யப்பட்டது" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "தரவை இறக்குமதி செய்யவும்" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "காபிம கோப்புகள் (*.csv);;TSV கோப்புகள் (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "மேற்பரப்பு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "தொகுதி" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "உடை:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "மூலக்கூறு மேற்பரப்புகளை வழங்கவும்." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "மூலக்கூறு சுற்றுப்பாதைகள்…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "சுற்றுப்பாதை சாளரம்" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "சுற்றுப்பாதை பட்டியல்களைக் காண்பி." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "சுற்றுப்பாதை" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "சமச்சீர்" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "தொழில்" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "சுழல்" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "ஓமோ" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "லுமோ" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "மூலக்கூறு சுற்றுப்பாதைகள்" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "கரைப்பான் அணுகக்கூடியது" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "கரைப்பான் விலக்கப்பட்டது" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "மூலக்கூறு சுற்றுப்பாதை" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "எலக்ட்ரான் அடர்த்தி" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "சுழல் அடர்த்தி" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "மோ %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(ஓமோ)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(லுமோ)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "கோப்பிலிருந்து" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "மேற்பரப்புகளை உருவாக்கவும்…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "வான் டெர் வால்ச் மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "வான் டெர் வால்ச் மூலக்கூறு மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "கரைப்பான்-அணுகக்கூடிய மூலக்கூறு மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "கரைப்பான்-விலக்கப்பட்ட மூலக்கூறு மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "ஒரு மூலக்கூறு சுற்றுப்பாதையை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "எலக்ட்ரான் அடர்த்தியை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "சுழல் அடர்த்தியை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "கோப்புடன் வழங்கப்பட்ட ஒரு கனசதுரத்தை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "கனசதுரம்% 1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "எலக்ட்ரான் அடர்த்தியைக் கணக்கிடுகிறது" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "சுழல் அடர்த்தியைக் கணக்கிடுகிறது" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "மூலக்கூறு சுற்றுப்பாதை %L1 கணக்கிடுதல்" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "மேற்பரப்பு முடிந்தது" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "மூவி அவி (*.வி)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "ஏற்றுமதி திரைப்படம்" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "திரைப்பட MP4 (*.mp4) ;; திரைப்படங்கள் அவி (*.avi) ;; gif (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "செயலில் உள்ள வழங்குதல் விட்செட்டைக் கண்டறிய முடியவில்லை, தோல்வியடைந்தது." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "மேற்பரப்புகளைப் படித்து வழங்கவும்." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "& எச்.வி.சி…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "எச்.வி.சி (*.SVG)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "எச்.வி.சி." #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "ஒரு எச்.வி.சி கோப்பில் காட்சியை வழங்கவும்." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "வகுப்பு" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "சமச்சீர்…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "சமச்சீர் செயல்பாட்டை வழங்குதல்." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "சமச்சீர் கூறுகளை வழங்கவும்." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "குழு %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "% 1 % 2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "வார்ப்புரு" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "டெம்ப்ளேட் கருவி (% 1) \n" "\n" "உலோக மையங்கள் உட்பட துண்டுகளைச் செருகவும். \n" "ஒரு உறுப்பு மற்றும் ஒருங்கிணைப்பு வடிவவியலைத் தேர்ந்தெடுத்து, ஒரு பகுதியைச் செருக " "சொடுக்கு செய்யவும். \n" "\n" "ஒரு லிகண்ட் அல்லது செயல்பாட்டுக் குழுவைத் தேர்ந்தெடுத்து, அதை இணைக்க ஐட்ரசன் அணுவைக் " "சொடுக்கு செய்யவும்." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "இடைநிலைப் பலகை" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "வார்ப்புருவைச் செருகவும்" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "தசைநார் செருகவும்" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "வார்ப்புரு கருவி" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW கோளங்களின் எளிய காட்சி." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "அனிமேசனைத் தொடங்குங்கள்" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "அனிமேசனை நிறுத்து" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "அதிர்வு முறைகள்…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "அதிர்வு முறைகள் உரையாடலைக் காட்டு." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "அதிர்வு பயன்முறையை அமைக்கவும்." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "அதிர்வு வீச்சு அமைக்கவும்." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "அதிர்வு அனிமேசனைத் தொடங்கவும்." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "அதிர்வு அனிமேசனை நிறுத்துங்கள்." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "அதிர்வுகள்" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "அதிர்வு முறைகளைக் காண்பி." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "வி.ஆர்.எம்.எல் ரெண்டர்…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "Vrml (*.wrl) ;; உரை கோப்பு (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "வி.ஆர்.எம்.எல்" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "வி.ஆர்.எம்.எல் ஐப் பயன்படுத்தி காட்சியை வழங்கவும்." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "மூலக்கூறு ஒரு வயர்ஃப்ரேமாக வழங்கவும்." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "இசைக்குழு கட்டமைப்பைக் கணக்கிடுங்கள்…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "& Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "பேண்ட் கட்டமைப்பைக் கணக்கிட முடியாது: அலகு செல் இல்லை!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "பின்வரும் பிழையுடன் Yaehmop சாவுஒறுப்பு தோல்வியடைந்தது:\n" " %1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "யேஅ்மாப்பிலிருந்து இசைக்குழு கட்டமைப்பு வெளியீட்டைப் படிக்கத் தவறிவிட்டது!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "யேஅ்மோப் வெளியீட்டில் ஒரு சிறப்பு கே புள்ளி மட்டுமே காணப்பட்டது! இரண்டு அல்லது அதற்கு " "மேற்பட்டவை தேவை!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "கே-வெளி" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "பேண்ட் %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "ஃபெர்மி நிலை" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "யேஅ்மோப்பைக் கண்டுபிடிக்க முடியவில்லை" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "பிழை: %1 தொடங்கத் தவறிவிட்டது" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "யேஅ்மோப் உள்ளீடு" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "யாமோப்" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "யேஅ்மோப்புடன் நீட்டிக்கப்பட்ட அக்கல் கணக்கீடுகளைச் செய்யுங்கள்." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "உரையாடல்" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "வடிவம்" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "கணக்கீட்டு அமைப்புகள்" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "ஒதுக்கிட உரை…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "மீட்டமை" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "பிழைத்திருத்த ச்கிரிப்ட்…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "கணக்கீட்டை சமர்ப்பிக்கவும்…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "உள்ளீட்டைச் சேமிக்கவும்…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "வரிசை மற்றும் நிரல்:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "புதுப்பிப்பு" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

இந்த வேலைக்கு முன்பதிவு செய்ய செயலி கோர்களின் எண்ணிக்கை. " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "செயலி கோர்கள்:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

வேலை முடிந்ததும் தொலைநிலை வேலை கோப்புகளை நீக்கு. முடிவுகள் " "முதலில் உள்ளக மோலெக்யூ வேலை தற்காலிக சேமிப்பில் நகலெடுக்கப்படும்.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "முடிந்ததும் தொலைநிலை கோப்புகளை நீக்கு:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

இந்த வேலை முன்னிருப்பாக மோலெக்யூ GUI இல் " "காண்பிக்கப்படுவதைத் தடுக்க சரிபார்க்கவும்.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "மோலெக்கில் ஐட் வேலை:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

வேலையின் நிலை மாறும்போது ஒரு கணினி பாப்அப் அறிவிப்பைக் " "காட்டுங்கள்.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "முன்னேற்ற அறிவிப்புகளைக் காட்டு:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "முடிந்ததும் திறந்த வெளியீடு:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "கூறுகளை மறுபெயரிடுங்கள்" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "துண்டு செருகவும்…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "வடிகட்டி:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "பொருந்தக்கூடிய கோப்புகளை மட்டுமே காட்ட ஒரு பெயர் அல்லது பெயரின் பகுதியை தட்டச்சு செய்க." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "செருகவும்" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3dmol உஉகுமொ துணுக்கை" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "கிளிப்போர்டுக்கு நகலெடுக்கவும்" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+c" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "கட்டமைப்பு உள்ளீட்டு கோப்பு" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "PDB இலிருந்து உள்ளீட்டை உருவாக்குங்கள்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB கோப்பு:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "படை புலம்:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "அம்பர்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "வசீகரம்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "பாகுபடுத்தல்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "டைல் 06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "Peoepb" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "ச்வான்சன்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR ஐ இயக்கவும்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "இருக்கும் PQR கோப்பை ஏற்றவும்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR கோப்பு:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS உள்ளீட்டு கோப்பு" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "உள்ளீட்டு கோப்பை சேமிக்கவும்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS ஐ இயக்கவும்" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "வெற்றி!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "கட்டமைப்பு கோப்பை ஏற்றவும்" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "கியூப் கோப்பை ஏற்றவும்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "பகுதி கட்டணங்கள்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "குற்றச்சாட்டு மாதிரி:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "தொலைதூர சகிப்புத்தன்மை:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "குறைந்தபட்ச தூரம்:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "“அடிப்படை” கான்டா சூழல் மட்டுமே உள்ளது.\n" " அவோகாட்ரோவுக்கு புதிய சூழலை உருவாக்க விரும்புகிறீர்களா?\n" " இது உங்கள் அடிப்படை சூழலின் நகலை உருவாக்கும்.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "சூழல் பெயர்:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "அவோகாட்ரோ" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "ச்கிரிப்ட்களை இயக்க பயன்படுத்தப்படும் பைதான் பதிப்பைத் தேர்ந்தெடுக்கவும்.\n" " ஏதேனும் மாற்றங்கள் நடைமுறைக்கு வர அவோகாட்ரோ மறுதொடக்கம் செய்யப்பட வேண்டும்." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "சூழல்:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "கட்டுப்பாடுகளைச் சேர்க்கவும்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "தட்டச்சு:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "அணு குறியீடுகள்:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "மதிப்பு:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "கூட்டு" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "விருப்பங்கள்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "கட்டுப்பாடு பெறவும்" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "தேர்ந்தெடுக்கப்பட்டதை நீக்கு" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "அனைத்தையும் நீக்கு" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "சரி" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "ஒருங்கிணைப்பு ஆசிரியர்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "முன்னமைவு:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "தொலைதூர அலகு:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "ஆங்ச்ட்ரோம்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "போ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "வடிவம்:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

வடிவமைப்பின் விவரக்குறிப்பு. ஒவ்வொரு எழுத்தும் ஒரு அணுவுக்கு " "எழுத ஒரு மதிப்பைக் குறிக்கிறது:

# - அணுக் குறியீடு (1, 2, ..., அனுக்கள்)
ஔ - அணு எண் (எ.கா. கார்பனுக்கு \"6\")
வி - விளையாட்டு-பாணி அணு எண் (எ.கா. கார்பனுக்கு " "\"6.0\")
பெ - உறுப்புப் பெயர் " "(எ.கா. \"கார்பன்\")
அ - உறுப்பு " "அடையாளம் (எ.கா. கார்பனுக்கு \"சி\")
சி - அணு சிட்டை (எ.கா., இரண்டாவது கார்பன் அணுவுக்கு \"சி 2\", முதல் ஐட்ரசனுக்கான " "\"எச் 1)
ஃ - ஃ நிலை " "ஒருங்கிணைப்பு
ஒ - ஒ நிலை " "ஒருங்கிணைப்பு
ஔ - ஔ ஃ நிலை " "ஒருங்கிணைப்பு
அ - 'அ' லட்டு " "ஒருங்கிணைப்பு (படிகங்கள் மட்டும்)
ஆ - " "'ஆ' லட்டு ஒருங்கிணைப்பு (படிகங்கள் மட்டும்)
இ - 'இ' லட்டு ஒருங்கிணைப்பு (படிகங்கள் மட்டும்)
_ - சீரமைப்புக்கு பயனுள்ள ஒரு நேரடி இடம் (\" " "\")
0 - ஒரு நேரடி 0 (\"0\"), " "தேர்வுமுறை கொடிகளுக்குப் பயனுள்ளதாக இருக்கும்
1 - ஒரு நேரடி 1 (\"1\"), தேர்வுமுறை கொடிகளுக்குப் " "பயனுள்ளதாக இருக்கும்

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "உதவி…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "ஒட்டு" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "மாற்றியமைக்கவும்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "தெளிவான" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "இடு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "சிபி 2 கே உள்ளீடு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "அனைத்தையும் மீட்டமைக்கவும்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "இயல்புநிலை" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "கோப்பைச் சேமி…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "& அடிப்படை அமைப்பு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "தலைப்பு:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "கோப்பு பெயர் அடிப்படை:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "பணி" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "கணக்கிடுங்கள்:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "அடிப்படை தொகுப்பு:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "செயல்பாடு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "மிமீ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF EMAX SPLINE SPIN" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "Ff rcut nb" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "பாய்சன் எவால்ட் வகை" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "பாய்சன் எவால்ட் ஆல்பா" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "பாய்சன் எவால்ட் சிமேக்ச்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "Qm" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "எல்.எச்.டி." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "உண்மை" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "அதிகபட்ச எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "இபிஎச் எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "எச்சிஎஃப் யூக" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "வெளிப்புற மேக்ச் எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "வெளிப்புற இபிஎச் எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "வழங்கியவர் டி மினிமிசர்" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "திறந்த பாபல் மாற்றத்திற்கான கோப்பு நீட்டிப்பு (இயல்புநிலை - அவோகாட்ரோ :: போச்கார்):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "சூப்பர்செல் அளவுருக்கள்" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "சூப்பர் செல் விருப்பங்கள்" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "மீண்டும்:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B மீண்டும்:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "சி மீண்டும்:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "அ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "பி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "சி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "அ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "சி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "செல் அணி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "பகுதியளவு மேட்ரிக்ச்:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "& மாற்ற அணுக்கள்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "& விண்ணப்பிக்கவும்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "& மாற்றியமைத்தல்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "& மறை" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "அளவிலான அலகு செல் தொகுதி" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "புதிய & தொகுதி:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "& அளவிடுதல் காரணி:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "தற்போதைய தொகுதி:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "டெக்ச்ட்லேபிள்" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "பாண்ட் ஆணை:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "வடிவியல் தேர்வுமுறை அளவுருக்கள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "குவிப்பு அளவுகோல்கள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "ஆற்றல் ஒருங்கிணைப்பு:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "படி வரம்பு:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " அலகுகள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " படிகள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "சாய்வு குவிப்பு:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "தேர்வுமுறை முறை" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "படை புலம்:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "ஆட்டோடெடெக்ட்" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "கேமச் உள்ளீடு" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "இல்:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "மாற்றுதல்" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "பெருக்கம்:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "உடன்:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "கட்டணம்:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR இலிருந்து இறக்குமதி…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "தேடல்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "பெயர்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "குறிச்சொல்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "ஒத்த பெயர்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "தேற்றம்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "அங்குலங்கள்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "வழங்கியவர்: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "சூத்திரம்:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "பதிவிறக்கம்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "பெயர்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "நியூக்ளிக் அமிலங்களை செருகவும்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "டி.என்.ஏ/ஆர்.என்.ஏ பில்டர்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "டி.என்.ஏ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ஆர்.என்.ஏ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "நியூக்ளிக் அமிலங்கள்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "அடினின்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "ஏ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "சைட்டோசின்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "சி" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "குவானைன்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "ஐயா" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "டி" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "வரிசை:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "எலிக்ச் திருப்பத்திற்கு அடிப்படை சோடிகளின் எண்ணிக்கை" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "ஏ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "பி" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "சட்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "மற்றொன்று" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "ஒரு திருப்பத்திற்கு தளங்கள்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "இழைகள்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "ஒற்றை" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "இரட்டை" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "பெப்டைட் பில்டர்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "அலனைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "அல" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "அர்சினைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "கிளவரியம்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "அச்ன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "அச்பார்டிக் புளிக்காரம்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "சிச்டைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "சிச்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "குளுடாமிக் புளிக்காரம்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "குளு" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "குளுட்டமைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "கிளைசின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "இச்டைடின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "அவரது" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "ஐசோலூசின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "உடன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "வாலைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "வால்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "டைரோசின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "டைர்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "டிரிப்டோபன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "த்ரோயோனைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "திரு" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "செரின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "இருக்க வேண்டும்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "புரோலைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "ப்ரோ" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "ஃபெனிலாலனைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "மெத்தியோனைன்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "சந்தித்தார்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "லைசின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "லைச்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "லியூசின்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "லியூ" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "அமினோ அமிலங்கள்:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "வரிசை (N முதல் C வரை):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "ச்டீரியோ கெமிச்ட்ரி:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N டெர்மினச்:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "சி கால:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "கட்டமைப்பு:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "நேரான சங்கிலி" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α எலிக்ச்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β தாள்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 எலிக்ச்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π எலிக்ச்" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "சங்கிலி எண்:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "புதிய பெப்டைடுக்கான சங்கிலி எண்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS உள்ளீடு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "உள்ளீட்டு கோப்பு கருத்துகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "உருவகப்படுத்துதலின் போது பயன்படுத்த வேண்டிய அலகு பாணியைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "அலகுகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "எல்.சே." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "உண்மையான" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "மாழை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "மற்றும்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "சி.சி.எச்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "எதிர்மின்னி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "நீர் சாத்தியம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "Spc" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "எச்பிசி/இ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "தரவுக் கோப்பால் பயன்படுத்தப்படும் Atom_style ஐத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "அணு நடை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "கோணம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "அணு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "கடனீடு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "மின்னூட்டு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "இருமுனை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "நீள்வட்ட" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "முழு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "வரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "மீசோ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "மூலக்கூறு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "பெரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "கோளம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "ட்ரை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "அலைவரிசை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "ஒருங்கிணைப்பு கோப்புக்கு பயன்படுத்த வேண்டிய பெயரைக் குறிப்பிடவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "தரவு கோப்பை ஒருங்கிணைத்தல்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "குழுமம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "N / a" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "Nve" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "வெப்பநிலை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "என்விடி குழுமத்தில் நோச்-ஊவர் சங்கிலிகளின் எண்ணிக்கையைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "என்.எச் சங்கிலிகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "\"அலகுகள்\" விவரக்குறிப்பின் படி அலகுகளில் உருவகப்படுத்துதலுக்கான நேர படி." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "நேர படி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "உருவகப்படுத்துதலின் போது எழுத XYZ கோப்பின் கோப்பு பெயர்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ ஐ டம்ப்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "கணினியில் பரிமாணங்களின் எண்ணிக்கை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "பரிமாணங்கள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "சட் எல்லை பாணியை மாற்றவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "ஒய் எல்லை பாணியை மாற்றவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "ஃச் எல்லை பாணியை மாற்றவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "ஃச், ஒய் மற்றும் சட் திசைகளில் எல்லை பாணிகளைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "எல்லை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "ஃச், ஒய் மற்றும் சட் திசைகளில் பிரதிகளின் எண்ணிக்கை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "பிரதி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "ஃச் திசையை நகலெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "ஒய் திசையை நகலெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "சட் திசையை நகலெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "உருவகப்படுத்துதலை இயக்க மொத்த நேரங்களின் எண்ணிக்கை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "மொத்த படிகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "டம்ப் இடைவெளி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "உருவகப்படுத்துதலுக்கான ஆரம்ப அணு வேகங்களை அமைக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "ஆரம்ப விரைவு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "ஆரம்ப அணு வேகங்களின் விநியோகத்தைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "காசியன்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "சீரான" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "இந்த வெப்பநிலையுடன் பொருந்தக்கூடிய ஆரம்ப அணு வேகங்களை அமைக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "ஆரம்ப வேகங்களிலிருந்து கணினி நேரியல் வேகத்தை அகற்று." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "சுழிய நேரியல் உந்தம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "ஆரம்ப வேகங்களிலிருந்து கணினி கோண வேகத்தை அகற்று." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "சுழிய கோண உந்தம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "உருவகப்படுத்துதலின் போது வெப்ப இயக்கவியல் வெளியீட்டைக் கட்டுப்படுத்தவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "வெளியீடு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "வெளியீட்டு இடைவெளி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "மே" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3டி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "வெப்ப இயக்கவியல் வெளியீட்டு நடை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "ஒரு வரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "பல வரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "படிவத்தைப் பயன்படுத்தவும்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "உருவாக்கு…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "விவரிப்பான்:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "ஃச்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "ஒய்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "இவர்களால் மொழிபெயர்க்கப்பட்டது:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "சுற்றி சுழற்றுங்கள்:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "தோற்றம்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "மூலக்கூறின் நடுவண்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "தேர்வு நடுவண்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "எக்ச்-அச்சு" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y- அச்சு" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z- அச்சு" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "நகர்த்து:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "தேர்ந்தெடுக்கப்பட்ட அணுக்கள்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "மற்ற அனைத்தும்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "இணங்குபவர் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "முறை" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "கன்ஃபார்மர்களின் எண்ணிக்கை:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "முறையான ரோட்டார் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "சீரற்ற ரோட்டார் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "வெயிட்டட் ரோட்டார் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "மரபணு வழிமுறை தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "ஒரு கன்ஃபார்மருக்கு உகப்பாக்கம்:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "மரபணு வழிமுறை விருப்பங்கள்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "ஒவ்வொரு பெற்றோர் வடிவவியலுக்கும் குழந்தைகளின் எண்ணிக்கை" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "குழந்தைகள்:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "பிறழ்வு அதிர்வெண் (குறைந்த = அடிக்கடி பிறழ்வுகள்)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "பிறழ்வு:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "ஒன்றிணைவதற்கு முன் ஒரே மாதிரியான தலைமுறைகளின் எண்ணிக்கை" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "ஒன்றிணைத்தல்:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "மதிப்பெண் முறை:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "மரபணு வழிமுறைக்கான மதிப்பெண் முறை (RMSD = வடிவியல் தூரம், ஆற்றல் = குறைந்த ஆற்றல்கள்)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "தேர்வுமுறை வழிமுறை:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "வரி தேடல் நுட்பம்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "செங்குத்தான வம்சாவளி" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "இணை சாய்வு" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "எளிய" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "நியூட்டனின் முறை" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "பிணைக்கப்படாத தொடர்புகளை கட்டுப்படுத்துங்கள்" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "வான் டெர் வால்ச் வெட்டு தூரம்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "இணை புதுப்பிப்பு அதிர்வெண்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "மின்னியல் வெட்டு தூரம்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"ஆற்றல்\" குவிதல்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM ச்கிரிப்ட் பில்டர்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "வேலை ச்கிரிப்ட்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "ச்கிரிப்ட்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "உள்ளீட்டு ஒருங்கிணைப்புகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "Input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "உள்ளீட்டு இடவியல்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "ஃபோர்ச்ஃபீல்ட்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "மீண்டும் சேரவும்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "பக்கவாதம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "Amber99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "Amber99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "அம்பர் 03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "அம்பர் 10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "நீர் மாதிரி:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "உதவிக்குறிப்பு 3 பி" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "Tip4p-they" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "Tip5p" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "மறைமுக கரைப்பான் (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "இயங்குதளம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "குறிப்பு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "ஓபன்எல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "சிபியு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "குடா" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "துல்லியம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "ஒற்றை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "கலப்பு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "இரட்டை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "சாதன அட்டவணை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL இயங்குதள அட்டவணை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "பிணைக்கப்படாத முறை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "நோகுடாஃப்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "கட்ஆஃப்னான்பெரியோடிக்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "கட்ஆஃபெரியோடிக்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "எவால்ட்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "எவால்ட் சகிப்புத்தன்மை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "தடைகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Hbonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "அனைத்துபிணைப்புகள்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "ஏங்கிங்ச்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "கட்டுப்பாட்டு சகிப்புத்தன்மை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "கடினமான நீர்?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "தவறு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "பிணைக்கப்படாத வெட்டு:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "சீரற்ற ஆரம்ப வேகம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "தலைமுறை தற்காலிக:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "ஒருங்கிணைப்பாளர்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "லாங்கேவின்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "வெரெட்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "பிரவுனியன்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Variablelangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "மாறிநிலை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "பிழை சகிப்புத்தன்மை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "மோதல் வீதம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "பரோச்டாட்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "மான்டே கார்லோ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "அழுத்தம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "பரோச்டாட் இடைவெளி" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "நிருபர்கள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "ச்டேட்டட்டா" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "டி.சி.டி." #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "பி.டி.பி." #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "அறிக்கை இடைவெளி:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "சமநிலை படிகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "விளைவாக்கம் படிகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "குறைக்கவா?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "அதிகபட்சம். படிகளைக் குறைக்க:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "நிலைதரவு விருப்பங்கள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "படி அட்டவணை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "நேரம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "வேகம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "முன்னேற்றம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "நிலை ஆற்றல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "இயக்காற்றல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "மொத்த ஆற்றல்" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "செருகுநிரல்களைத் தேடு…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "கோப்பகத்திலிருந்து நிறுவவும்…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "தேர்ந்தெடுக்கப்பட்டதை அகற்று" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "நிறுவல் / புதுப்பித்தல் தேர்ந்தெடுக்கப்பட்டது" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF சூழ்ச்சி விருப்பங்கள்" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "அதிகபட்ச ஆரம்:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "படி (டாக்டர்):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "தத்துவார்த்த எக்ச்ஆர்டி முறை விருப்பங்கள்" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

அடிவாரத்தில் (டிகிரிகளில்) உச்சத்தை விரிவுபடுத்துதல்." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

டிகிரிகளில் அதிகபட்ச 2 தீட்டா மதிப்பு.

இயல்புநிலை: " "162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

டிகிரிகளில் அடிவாரத்தில் சிகரங்களை விரிவுபடுத்துதல்.

இயல்புநிலை: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "புள்ளிகளின் எண்ணிக்கை:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "உச்ச அகலம்:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "அலைநீளம்:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

ஆங்ச்ட்ராம்களில் எக்ச்-ரேயின் அலைநீளம்.

இயல்புநிலை: " "1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

2 தீட்டாவின் எண்ணிக்கை உருவாக்க வேண்டும்.

இயல்புநிலை: " "1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "அதிகபட்சம் 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "தேர்ந்தெடுக்கப்பட்ட பதிவிறக்க" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "முக்கியமான புள்ளி ஆரம்:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "பிணைப்பு பாதை ஆரம்:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "ஒருவலு" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "நிலையான அளவு" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "வண்ணத்தைப் பயன்படுத்துங்கள்" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "ச்பெக்ட்ரா காட்சிப்படுத்தல்" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "அளவிலான காரணி:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "எக்ச்-அச்சு குறைந்தபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "எக்ச்-அச்சு அதிகபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "ஆஃப்செட்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y- அச்சு அதிகபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y- அச்சு குறைந்தபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "உச்ச அகலம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "உச்ச வாசல்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "அலகுகள்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "& தோற்றம்" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "வண்ணத்தை அமைக்கவும்…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "இறக்குமதி செய்யப்பட்ட ச்பெக்ட்ரா:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "எழுத்துரு அளவு:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "வரி அகலம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "காட்டு" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "சதித்திட்டத்தில் மேலடுக்கு சோதனை நிறமாலை ஒரு டி.எச்.வி." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&இறக்குமதி…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "பின்னணி:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "கணக்கிடப்பட்ட ச்பெக்ட்ரா:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "ரா ச்பெக்ட்ரா:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&ஏற்றுமதி…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "தரவு ஏற்றுமதி" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "மூடு (&c)" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "& விருப்பங்கள்…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "ஃச்" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "ஒய்" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "கட்டுப்பாடுகள்:\n" " இரட்டை இடது கிளிக்: இயல்புநிலை அச்சு வரம்புகளை மீட்டெடுங்கள்\n" " வலது சொடுக்கு + இழுத்தல்: சூழ்ச்சி நகர்த்தவும்\n" " நடுத்தர சொடுக்கு + இழுத்தல்: பிராந்தியத்திற்கு பெரிதாக்கு\n" " உருள் சக்கரம்: கர்சருக்கு பெரிதாக்கு" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&தரவை ஏற்று…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "தரம்: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "மிகக் குறைவு" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "குறைந்த" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "சராசரி" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "உயர்ந்த" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "மிக உயர்ந்த" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "வழங்கவும்" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "உள்ளமைக்கவும்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "மேற்பரப்புகளை உருவாக்கவும்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "மேற்பரப்பு:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "அகர" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "பீட்டா" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "வண்ணம்தீட்டியவர்:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "மின்னியல் ஆற்றல்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "தீர்மானம்:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "ஐசோசர்ஃபேச் மதிப்பு:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "மென்மையாக்குதல்:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "ஒளி" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "வலுவான" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "கணக்கிடுங்கள்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "பதிவு திரைப்படம்…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "சி <துணை> 1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "மூலக்கூறு" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "சமச்சீராக சமமான அணுக்கள்:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "பூட்டு சமச்சீர்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "செயல்பாடுகள்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "சமச்சீர் கூறுகள்:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "துணைக்குழுக்கள்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "துணைக்குழுக்கள்:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "சகிப்புத்தன்மை:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "இறுக்கமான" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "சாதாரண" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "தளர்வான" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "மிகவும் தளர்வான" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "சமச்சீரைக் கண்டறியவும்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "மையங்கள்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "முறையான கட்டணம்:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "ஒருங்கிணைப்பு:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: ஆக்டோஎட்ரல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: நேரியல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: நேரியல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: முக்கோண பிளானர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: டெட்ராஎட்ரல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: சதுர பிளானர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: முக்கோண இருமுனை" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: சதுர பிரமிடு" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: முக்கோண ப்ரிசம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: பென்டகோனல் இருமுனை" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: சதுர ஆண்டிப்ரிசம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "ஈந்தணைவிகள்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "செங்குத்து நபர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "பைடெனேட்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "ட்ரைடெனேட்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "டிராடேன்டாடே" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "அறுகோண" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "ஆப்டிக்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "கிளிப்போர்டிலிருந்து" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "லிகண்ட்:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "குழுக்கள்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "குழு:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "நீரகப்பரியம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "ஈருயிரகக்கரிமம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "அத்தர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "இருப்பிணை இருக்கொள்ளியம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "முப்பிணை இருக்கொள்ளியம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "தழைமவீருயிரகம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "மக்கிடை" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "நாலுயிரகத்தீமுறி" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "சல்போனேட்" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "அதிர்வு முறைகள்" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "வீச்சு:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "யேஅ்மோப் பேண்ட்" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "மணித்துளி ஒய்: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

இந்தப் பெட்டியைச் சரிபார்க்கும் முன் ஃபெர்மி நிலை அறியப்பட " "வேண்டும். மாநிலங்களின் கணக்கீட்டின் அடர்த்தியைச் செய்வதன் மூலமும் தரவைக் காண்பிப்பதன் மூலமும் " "நீங்கள் ஃபெர்மி அளவைக் கண்டறியலாம் (இது தரவின் உச்சியில் இருக்கும்). கூடுதலாக, " "மாநிலங்களின் கணக்கீட்டின் அடர்த்தி செய்யப்பட்டால், இங்குள்ள ஃபெர்மி நிலை மாநிலக் கணக்கீட்டின் " "அடர்த்தியின்போது கண்டறியப்பட்டவற்றிற்கு தானாகவே அமைக்கப்படும்.

இந்தப் பெட்டி " "சரிபார்க்கப்பட்டால், சரியான ஃபெர்மி நிலை உறுதிப்படுத்திக் கொள்ளுங்கள் வலது புறத்தில் உள்ள " "ச்பின் பாக்சில் அமைக்கப்பட்டுள்ளது.

இயல்புநிலை: அணை

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "ஃபெர்மி சதி?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

பூச்சியம் ஃபெர்மி என்பதற்காக ஆற்றல்களைச் சரிசெய்யவும்? நாங்கள் " "ஃபெர்மி அளவை சூழ்ச்சி செய்தால் மட்டுமே கிடைக்கும்.


இயல்புநிலை:அணை" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "சுழிய ஃபெர்மி?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "சிறப்பு கே-புள்ளிகளை இணைக்கும் கே-பாயிண்டுகளின் #:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "சிறப்பு கே-புள்ளிகள்" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "அதிகபட்ச ஒய்: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

தி ஃபெர்மி நிலை

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

சிறப்பு கே-புள்ளிகளை உள்ளிடவும்:

எல் 0.5 0.5 0.5

சீ 0.0 0.0 0.0

ஃ 0.5 0.0 0.5

அதாவது, <அடையாளம்> " "<ஃ> <ஒ> <ஔ> ஃ, ஒ மற்றும் ஔ ஆகியவை பகுதியளவு பரச்பர விண்வெளி " "ஆயத்தொகுப்புகளாகும். இந்த கே-புள்ளிகளை நீங்கள் வைக்கும் வரிசையில் வரைபடத்தில் இணைக்கும் " "கோடுகள் வரையப்படும். உங்கள் கலத்தின் நோக்குநிலை இந்தப் பரச்பர விண்வெளி புள்ளிகளின் " "இருப்பிடங்களில் தாக்கத்தை ஏற்படுத்தக்கூடும் என்பதை நினைவில் கொள்க.

என்றால் படிகத்தின் " "விண்வெளி குழு உணரப்பட்டது அல்லது அமைக்கப்பட்டுள்ளது, சிறப்பு கேப்புள்ளிகள் தானாகவே அந்த " "விண்வெளி குழுவிற்கான பழமையான செல் உயர் சமச்சீர் புள்ளிகளுடன் நிரப்பப்படும். லட்டியைப் " "பொறுத்து ஒரு சில விண்வெளி குழுக்கள் வெவ்வேறு உயர் சமச்சீர் புள்ளிகள் உள்ளன (அ > ஆ " "அல்லது அ < ஆ) - இது தானாகவே கணக்கில் எடுத்துக்கொள்ளப்படுகிறது.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" " \n" "

சிஎம் 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

சிறப்பு K- புள்ளிகளை இணைக்கும் K- புள்ளிகளின் எண்ணிக்கையை " "உள்ளிடவும். இந்த கே-பாயிண்டுகளில் அதிகமானவை வரைபடத்தை மென்மையாக்கும், ஆனால் கணக்கீடு " "அதிக நேரம் ஆகலாம்.

இயல்புநிலை: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

சதித்திட்டத்தில் Y- வரம்பைக் கட்டுப்படுத்துகிறீர்களா?

" "

இயல்புநிலை: ஆஃப்

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Y- வரம்பைக் கட்டுப்படுத்தவா?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

அவ்வப்போது பரிமாணங்களின் எண்ணிக்கை.


இது 1 " "ஆக அமைக்கப்பட்டால், பொருள் அவ்வப்போது மட்டுமே படிகத்தின் ஒரு திசையனுடன்.


இது 2 ஆக அமைக்கப்பட்டால், படிகத்தின் A மற்றும் B திசையன்களுடன் பொருள் அவ்வப்போது " "இருக்கும்.


இது 3 ஆக அமைக்கப்பட்டால், படிகத்தின் A, B மற்றும் C " "திசையன்களுடன் பொருள் அவ்வப்போது இருக்கும்.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "பரிமாணங்களின் எண்ணிக்கை:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Yaehmop உள்ளீட்டைக் காண்பிக்கவா?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "உங்கள் பெயர்கள்" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "உங்கள் மின்னஞ்சல்கள்" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "விருப்பம் '%1' ஒரு பொருளைக் குறிக்கவில்லை." #, qt-format #~ msgid "Tab %1" #~ msgstr "தாவல் %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "பிழை: மதிப்பு முக்கிய '%1' க்கு பொருளாக இருக்க வேண்டும்." #~ msgid "Edit Color Opacity Map…" #~ msgstr "வண்ண ஒளிபுகா வரைபடத்தைத் திருத்தவும்…" #~ msgid "ColorOpacityMap" #~ msgstr "Coloropacitymap" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "வண்ண ஒளிபுகா வரைபடங்களைத் திருத்தவும், முதன்மையாக தொகுதி வழங்குதல்." #~ msgid "Volume Rendering" #~ msgstr "தொகுதி வழங்குதல்" #~ msgid "Cube" #~ msgstr "கன சதுரம்" #~ msgid "Enable volume rendering" #~ msgstr "தொகுதி வழங்குதல் இயக்கவும்" #~ msgid "Enable surface rendering" #~ msgstr "மேற்பரப்பு வழங்குதல் இயக்கவும்" #~ msgid "Isovalue" #~ msgstr "ஐச்ஒமதிப்பு" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "எரிசக்தி ச்கிரிப்டுக்கான மெட்டாடேட்டாவை மீட்டெடுப்பதில் பிழை: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "எரிசக்தி ச்கிரிப்டுக்கு மெட்டாடேட்டாவை பாகுபடுத்தும் பிழை: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "எரிசக்தி ச்கிரிப்டுக்கு மெட்டாடேட்டாவை பாகுபடுத்தும் பிழை: %1\n" #~ " முடிவு ஒரு சாதொபொகு பொருள் அல்ல.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "ச்கிரிப்ட் %1 ஐ ஏற்ற முடியாது" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "பாதை %2 இல் %1 ச்கிரிப்ட்களை சரிபார்க்கிறது" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1 °" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " பெறுநர்" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "கோணங்கள்:" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "ஈ.வி." #~ msgid "Å" #~ msgstr "பெறுநர்" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "ப" #~ msgid "s" #~ msgstr "கள்" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "மீ" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "எஃப்.எம்" #~ msgid " nm" #~ msgstr " என்.எம்" #~ msgid " K" #~ msgstr " கே" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/சோசலிச்ட் கட்சி" #~ msgid " atm" #~ msgstr " ஏடிஎம்" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " ஈ.வி." #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(நிலுவையில் உள்ளது)" #~ msgid "unknown molecule" #~ msgstr "அறியப்படாத மூலக்கூறு" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "குறிப்பு அச்சுகள் மேலடுக்கு" #~ msgid "Meshes" #~ msgstr "மெச்கள்" #~ msgid "Plot RMSD curve…" #~ msgstr "சூழ்ச்சி RMSD வளைவு…" #~ msgid "PlotRmsd" #~ msgstr "Plotrmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "ஒரு RMSD வளைவை உருவாக்கி திட்டமிடுங்கள்." #~ msgid "Max 2*theta:" #~ msgstr "அதிகபட்சம் 2*தீட்டா:" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "அணு, பிணைப்பு, கோணம் மற்றும் முறுக்கு பண்புகளைக் காண்பிப்பதற்கும் திருத்துவதற்கும் " #~ "அட்டவணைகள்." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "மூலக்கூறுகளை சீரமைக்கவும்\n" #~ "\n" #~ " இடது சுட்டி: இரண்டு அணுக்கள் வரை தேர்ந்தெடுக்கவும்.\n" #~ " முதல் அணு தோற்றத்தை மையமாகக் கொண்டுள்ளது.\n" #~ " இரண்டாவது அணு தேர்ந்தெடுக்கப்பட்ட அச்சுடன் சீரமைக்கப்பட்டுள்ளது.\n" #~ " வலது சுட்டி: சீரமைப்பை மீட்டமை.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: அணுவை தோற்றத்தில் மையப்படுத்தவும்." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "பத்திர மைய கையாளுதல் கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" #~ " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: பார்வையை மீட்டமைக்கவும்.\n" #~ "\n" #~ " கையாளுதல் விமானத்தை அமைக்க ஒரு பத்திரத்தில் இடது சொடுக்கு & இழுக்கவும்:\n" #~ " கோணத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இடது சொடுக்கு செய்து இழுக்கவும்\n" #~ " வலது சொடுக்கு செய்து நீளத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இழுக்கவும்" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "டிரா கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: அணுக்கள் மற்றும் பிணைப்பை உருவாக்க சொடுக்கு செய்து இழுக்கவும்\n" #~ " வலது சுட்டி: அணுவை நீக்கு" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "ஆட்டம் சிட்டை கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: தனிப்பயன் லேபிள்களைச் சேர்க்க அணுக்களைக் சொடுக்கு செய்க" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "கையாளுதல் கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: சொடுக்கு செய்து அணுகுகளை நகர்த்த இழுக்கவும்\n" #~ " வலது சுட்டி: அணுக்களைச் சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "அளவீட்டு கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: நான்கு அணுக்கள் வரை தேர்ந்தெடுக்கவும்.\n" #~ " 1-2 முதல் 2-3 வரை தூரங்கள் அளவிடப்படுகின்றன\n" #~ " பொதுவான புள்ளியாக 2 ஐப் பயன்படுத்தி 1-3 க்கு இடையில் கோணம் அளவிடப்படுகிறது\n" #~ " டிஎட்ரல் 1-2-3-4 க்கு இடையில் அளவிடப்படுகிறது\n" #~ " வலது சுட்டி: அளவீடுகளை மீட்டமைக்கவும்." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "வழிசெலுத்தல் கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" #~ " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "இயல்புநிலை: சுருங்கவும், சூம் வரை உருட்டவும்\n" #~ " தலைகீழ்: சுருங்கவும், பெரிதாக்க கீழே உருட்டவும்" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "அனிமேசன் கருவி (%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "தேர்வு கருவி (%1)\n" #~ "\n" #~ " இடது சுட்டி: தனிப்பட்ட அணுக்கள், எச்சங்கள் அல்லது துண்டுகளை எடுக்க சொடுக்கு செய்க\n" #~ " அணுக்களின் வரம்பைத் தேர்ந்தெடுக்க இழுக்கவும்\n" #~ " வலது சுட்டி: தேர்வை அழிக்க மூலக்கூறுக்கு வெளியே சொடுக்கு செய்க\n" #~ " தேர்வில் சேர்க்கவும் மாற்றவும் கட்டுப்பாடு ஐப் பயன்படுத்தவும்.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: முழு துண்டுகளையும் தேர்ந்தெடுக்கவும்." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "வார்ப்புரு கருவி (%1)\n" #~ "\n" #~ " உலோக மையங்கள் உட்பட துண்டுகளைச் செருகவும்.\n" #~ " ஒரு உறுப்பு மற்றும் ஒருங்கிணைப்பு வடிவவியலைத் தேர்ந்தெடுத்து, பின்னர் ஒரு பகுதியைச் " #~ "செருக சொடுக்கு செய்க.\n" #~ "\n" #~ " ஒரு தசைநார் அல்லது செயல்பாட்டுக் குழுவைத் தேர்ந்தெடுத்து அதை இணைக்க ஒரு ஐட்ரசன் " #~ "அணுவை சொடுக்கு செய்யவும்." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "பலகோண மெச்களை வழங்கவும்." #~ msgid "&Analysis" #~ msgstr "& பகுப்பாய்வு" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "& இறக்குமதி ..." #~ msgid "Set Color..." #~ msgstr "வண்ணத்தை அமைக்கவும் ..." #~ msgid "&Export..." #~ msgstr "& ஏற்றுமதி ..." #~ msgid "&Load data..." #~ msgstr "& தரவை ஏற்றவும் ..." #~ msgid "eV)" #~ msgstr "ev)" #~ msgid "Partial Charge" #~ msgstr "பகுதி கட்டணம்" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "பத்திர மைய கையாளுதல் கருவி\n" #~ "\n" #~ " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" #~ " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: பார்வையை மீட்டமைக்கவும்.\n" #~ "\n" #~ " கையாளுதல் விமானத்தை அமைக்க ஒரு பத்திரத்தில் இடது சொடுக்கு & இழுக்கவும்:\n" #~ " கோணத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இடது சொடுக்கு செய்து இழுக்கவும்\n" #~ " வலது சொடுக்கு செய்து நீளத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இழுக்கவும்" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "கருவி டிரா\n" #~ "\n" #~ " இடது சுட்டி: அணுக்கள் மற்றும் பிணைப்பை உருவாக்க சொடுக்கு செய்து இழுக்கவும்\n" #~ " வலது சுட்டி: அணுவை நீக்கு" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "அணு சிட்டை கருவி\n" #~ "\n" #~ " இடது சுட்டி: தனிப்பயன் லேபிள்களைச் சேர்க்க அணுக்களைக் சொடுக்கு செய்க" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "அளவீட்டு கருவி\n" #~ "\n" #~ " இடது சுட்டி: நான்கு அணுக்கள் வரை தேர்ந்தெடுக்கவும்.\n" #~ " 1-2 முதல் 2-3 வரை தூரங்கள் அளவிடப்படுகின்றன\n" #~ " பொதுவான புள்ளியாக 2 ஐப் பயன்படுத்தி 1-3 க்கு இடையில் கோணம் அளவிடப்படுகிறது\n" #~ " டிஎட்ரல் 1-2-3-4 க்கு இடையில் அளவிடப்படுகிறது\n" #~ " வலது சுட்டி: அளவீடுகளை மீட்டமைக்கவும்." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "வழிசெலுத்தல் கருவி\n" #~ "\n" #~ " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" #~ " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #~ msgid "Animation Tool" #~ msgstr "அனிமேசன் கருவி" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "தேர்வு கருவி\n" #~ "\n" #~ " இடது சுட்டி: தனிப்பட்ட அணுக்கள், எச்சங்கள் அல்லது துண்டுகளை எடுக்க சொடுக்கு செய்க\n" #~ " அணுக்களின் வரம்பைத் தேர்ந்தெடுக்க இழுக்கவும்\n" #~ " வலது சுட்டி: தேர்வை அழிக்க மூலக்கூறுக்கு வெளியே சொடுக்கு செய்க\n" #~ " தேர்வில் சேர்க்கவும் மாற்றவும் கட்டுப்பாடு ஐப் பயன்படுத்தவும்.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: முழு துண்டுகளையும் தேர்ந்தெடுக்கவும்." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "வார்ப்புரு கருவி\n" #~ "\n" #~ " உலோக மையங்கள் உட்பட துண்டுகளைச் செருகவும்.\n" #~ " ஒரு உறுப்பு மற்றும் ஒருங்கிணைப்பு வடிவவியலைத் தேர்ந்தெடுத்து, பின்னர் ஒரு பகுதியைச் " #~ "செருக சொடுக்கு செய்க.\n" #~ "\n" #~ " ஒரு தசைநார் அல்லது செயல்பாட்டுக் குழுவைத் தேர்ந்தெடுத்து அதை இணைக்க ஒரு ஐட்ரசன் " #~ "அணுவை சொடுக்கு செய்யவும்." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "கையாளுதல் கருவி\n" #~ "\n" #~ " இடது சுட்டி: சொடுக்கு செய்து அணுகுகளை நகர்த்த இழுக்கவும்\n" #~ " வலது சுட்டி: தேர்ந்தெடுக்கப்பட்ட அணுக்களைச் சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "சுற்றுப்புற மறுப்புடன் VDW கோளங்களின் எளிய காட்சி." #~ msgid "Geometry" #~ msgstr "வடிவியல்" #~ msgid "Add Unit Cell" #~ msgstr "அலகு கலத்தைச் சேர்க்கவும்" #~ msgid "By Atomic Index" #~ msgstr "அணு குறியீட்டால்" #~ msgid "By Distance" #~ msgstr "தூரம் மூலம்" #~ msgid "Select Water…" #~ msgstr "தண்ணீரைத் தேர்ந்தெடுக்கவும்…" OpenChemistry-avogadrolibs-ceb949f/i18n/te.po000066400000000000000000007657461516317240700212520ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Balavamsi Krishna , 2023. # Eisuke Kawashima , 2025. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-07-01 18:02+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Telugu \n" "Language: te\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.13-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 #, fuzzy msgid "No molecule set in BackgroundFileFormat!" msgstr "బ్యాక్‌గ్రౌండ్‌ఫైల్ ఫార్మాట్‌లో అణువు ఏదీ సెట్ చేయబడలేదు!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&File" msgstr "&ఫైల్" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "ఎగుమతి చెయ్యి" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "& నిర్మించు" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "(&V) చూడు" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "పొడిగింతలు" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "(&E) సరిదిద్దు" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "జాలాకార వ్యవస్థ నిర్ణీతవ్యవధిలో ప్రతిస్పందించలేదు లేక ఇతర ప్రతిబంధకము ఏర్పడి ఉండవచ్చు ." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "ఎగుమతి చెయ్యి" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "(&S) ఎంచుకోండి" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" #, fuzzy #~ msgid "&Export..." #~ msgstr "ఎగుమతి చెయ్యి" OpenChemistry-avogadrolibs-ceb949f/i18n/th.po000066400000000000000000007646431516317240700212500ustar00rootroot00000000000000# Thai translation for avogadro # Copyright (c) 2015 Rosetta Contributors and Canonical Ltd 2015 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2015. # Eisuke Kawashima , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Thai \n" "Language: th\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "กำหนดสีเอง…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Rockworld, ,Launchpad " "Contributions:,Rockworld, ,Launchpad Contributions:,Rockworld" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,sumoisrock@gmail.com,,,sumoisrock@gmail.com,,,sumoisrock@gmail.com" OpenChemistry-avogadrolibs-ceb949f/i18n/tr.po000066400000000000000000011523701516317240700212470ustar00rootroot00000000000000# Turkish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Oğuz Ersen , 2020, 2021. # Talking Panda , 2020. # Suleyman Poyraz , 2020. # Yunus AK , 2021. # udo pton , 2021. # Acun , 2021. # Hıncal Gökhan BAKIR , 2023. # Hakkı Konu , 2023. # Emir , 2024. # Eisuke Kawashima , 2024, 2025, 2026. # Onur Kalkan , 2024. # Oğuz Ersen , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Turkish \n" "Language: tr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Toplu İş #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "İleti belirtilmedi." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options çıktısı en üst düzeyde bir JSON nesnesi olmalıdır.\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Dizi olmayan uyarı döndürüldü." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'uyarılar' üyesi bir diziliş değil." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "'%1' başvuru dosyası yok." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "%1 dosyası doldurulurken hata oluştu: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Dosya '%1' kötü oluşturulmuş. 'contents' veya 'filePath' üyeleri dizisi " "eksik." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Hatalı biçimlendirilmiş dosya girişi: Dosya adı / içerik eksik veya diziler " "yok:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "%1 dizininde hatalı biçimlendirilmiş dosya girişi: Bir nesne değil." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'dosyalar' üyesi bir dizi değil." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "\"dosyalar\" üyesi eksik." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'anaDosya' üyesi 'dosyalar' içinde bir girdiye başvurmaz." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' üyesi bir dizge olmalıdır." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Yanıt, üst düzeyde bir JSON nesnesi olmalıdır." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Komut dosyası çıktısı:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Sapma %L1 'de hatayı ayrıştır:' %2 '\n" "Ham JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Molekül gösterimi dizgeye kaydedilirken hata oluştu: Tanınmayan dosya " "biçimi: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Dizgeye molekül gösterimi kaydedilirken hata oluştu: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Cjson nesnesi oluşturulurken hata oluştu: Göreli konumdaki ayrıştırma hatası " "%1: %2\n" "Ham JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Hata oluşturucu cjson nesnesi: Ayrıştırılmış JSON bir nesne değil:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Girdi Oluşturucu (hata)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Girdi Üreteci" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Devam et" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Kapat" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Bilinmeyen" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Aşağıdaki dosya değiştirildi:\n" "\n" "%1\n" "\n" "Yeni geometriyi veya iş seçeneklerini yansıtmak için değişikliklerinizin " "üzerine yazmak ister misiniz?" msgstr[1] "" "Aşağıdaki dosyalar değiştirildi:\n" "\n" "%1\n" "\n" "Yeni geometriyi veya iş seçeneklerini yansıtmak için değişikliklerinizin " "üzerine yazmak ister misiniz?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Değiştirilmiş girdi dosyalarının üzerine yazılsın mı?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Giriş oluşturma sırasında sorunlar oluştu:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Kaydedilecek giriş dosyası yok!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "MoleQueue'ye bağlanılamıyor" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "MoleQueue sunucusuna bağlanılamıyor. Lütfen çalıştığından emin olun ve " "tekrar deneyin." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 Hesaplamasını Gönder" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "İş Başarısız Oldu" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "İş başarıyla tamamlanmadı." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Komut dosyası şu uyarıları döndürür:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "&Uyarıları Gizle" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "&Uyarıları Göster" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Bir hata oluştu:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Çıktı dosya adını seç" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Dahili hata: '%1' dosya adı için metin aracı bulunamadı" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Çıktı Hatası" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "%1 dosyasına yazılamadı." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Çıktı dizini seç" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Dizin mevcut değil!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Dizin okunamıyor!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Dosyanın üzerine yazılacak." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Dosya yazılabilir değil." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Bilinmeyen bir hata nedeniyle giriş dosyaları yazılamıyor." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Giriş dosyaları yazılamaz:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Giriş dosyaları yazılamaz:\n" "\n" "%1\n" "\n" "Uyarılar:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Uyarı:\n" "\n" "%1\n" "\n" "Devam etmek ister misin?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Giriş dosyalarını yaz" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "İşi Yapılandır" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "İş MoleQueue'ye gönderiliyor…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "İş Gönderme Zaman Aşımı" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro, MoleQueue'dan yanıt beklerken zaman aşımına uğradı." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "%1 “%2” işinin bitirilmesi bekleniyor…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Beklemeyi durdur" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Tamamlanan iş bilgileri alınıyor…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "İşe Erişim Zaman Aşımı" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro, MoleQueue'dan bitmiş iş ayrıntılarını beklerken zaman aşımına " "uğradı." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "İş Gönderme Hatası" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "İş MoleQueue tarafından reddedildi: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Program seçilmedi." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Lütfen \"Sıra ve Program\" listesinden hedef programı seçin." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "İstemci, işi MoleQueue'ye gönderemedi." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "İç hata." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Program seçimi çözülemiyor. Bu bir hata." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat'da molekül ayarlanmadı!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Arka Plan Dosya Biçiminde Io::FileFormat ayarlanmadı!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat'da dosya adı ayarlanmadı!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Yatay Böl" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Dikey Böl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hidrojen" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helyum" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lityum" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Berilyum" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrojen(Azot)" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oksijen" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flor" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodyum" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnezyum" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Alüminyum" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silisyum" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Kükürt" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potasyum" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Kalsiyum" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Skandiyum" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanyum" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadyum" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganez" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Demir" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Bakır" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Çinko" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Galyum" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanyum" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenyum" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidyum" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Stronsiyum" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "İtriyum" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirkonyum" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niyobyum" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Teknesyum" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Rutenyum" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rodyum" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Paladyum" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Gümüş" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Kadmiyum" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "İndiyum" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Kalay" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellür" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "İyot" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Sezyum" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Baryum" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Seryum" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodim" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodimyum" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prometyum" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samaryum" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Evropiyum" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinyum" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbiyum" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Disprosyum" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmiyum" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbiyum" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Tulyum" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "İterbiyum" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutesyum" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafniyum" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Renyum" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmiyum" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "İridyum" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Altın" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Cıva" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Talyum" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Kurşun" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonyum" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Fransiyum" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radyum" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Aktinyum" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Toryum" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protaktinyum" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranyum" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptünyum" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plütonyum" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Amerikyum" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Küriyum" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelyum" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Kaliforniyum" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Aynştaynyum" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermiyum" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevyum" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelyum" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lavrensiyum" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherdfordiyum" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubniyum" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgiyum" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohriyum" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassiyum" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitneriyum" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtiyum" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Röntgenyum" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Kopernikyum" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Nihoniyum" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Flerovyum" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Moskoviyum" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Livermoryum" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Tennesin" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "Gözat" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Dosya seç:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Çalıştırma dosyasını seçiniz:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Seçili dosya için uygun bir dosya okuyucu bulunamıyor." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Dosya uzantısı eksik, bu nedenle format belirlenemiyor Eklemek istiyor " "musunuz?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Seçilen format için uygun bir dosya yazıcısı bulunamadı." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "işleyiciler" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "işleyici" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "okuyucular" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "oku" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "yazarlar" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "yaz" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Bu biçimi %2 yapabilen birden çok %1 bulundu. Hangisi kullanılmalı?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Bütün dosyalar" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Desteklenen tüm formatlar" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Molekül gösterimini okuma hatası: Tanınmayan dosya formatı: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Molekül gösterimi dizgeye yazılırken hata oluştu: Tanınmayan dosya biçimi: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Dizgeye molekül gösterimi yazılırken hata oluştu: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "'userOptions' eksik." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "'%1' seçeneği bulunamadı." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type', '%1' seçeneği için bir dizge değil." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Başlık" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "Dosya Adı Tabanı" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "İşlemci Çekirdekleri" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Hesaplama Türü" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Temel" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Yük" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Çokluk" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Kullanıcı Adı" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Parola" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "'%2' seçeneği için tanınmayan seçenek türü '%1'." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "'%1' seçeneği için varsayılan ayar hatası. Hatalı widget türü." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "'%1' seçeneği için varsayılan ayar hatası. Hatalı varsayılan değer:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "'%1' seçeneği için varsayılan ayar hatası. Değerden geçerli birleşik giriş " "dizini bulunamadı:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "'%1' seçeneği için collectOptions içinde işlenmemiş widget." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[molekül yok]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Katman %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Top ve Çubuk" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Karikatürler" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Yakın Temaslar" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristal Kafes" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Kuvvet" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Etiketler" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Meyan kökü" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Yüzeyler" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Kovalent Olmayan" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM (MAKT)" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Simetri Unsurları" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Telekafes" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Referans Eksenleri" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Adsız" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Molekülü düzenle" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Kaydedilmedi" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Yeni bir görünüm oluştur" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periyodik Cetvel" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata oluştu: Başlatma için bekleme " "süresi doldu (%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata: stdin'e yazılamadı (len = %3, %4 " "bayt yazdı, QProcess hatası: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata oluştu: Bitiş için bekleme süresi " "doldu (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata: Anormal çıkış durumu %3 (%4: " "%5)\n" "\n" "Çıktı:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "Uyarı '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Betik başlatılamadı." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Komut dosyası çöktü." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Komut dosyası zaman aşımına uğradı." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Okuma hatası." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Yazma hatası." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Bilinmeyen hata." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Katmanları Değiştir" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Katmanı Kaldır" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Katman Bilgisini Kaldır" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Katman Ekle" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Katman Bilgisi Ekle" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Katmanı Değiştir" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Atom Ekle" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Atomu Kaldır" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Atomları Temizle" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Hidrojenleri ayarla" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elementleri Değiştir" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Elementi Değiştir" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Atom Hibridizasyonunu Değiştir" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Atom Resmi Yükünü Değiştir" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Atom Rengini Değiştir" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Atom Katmanını Değiştir" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Bağ Ekle" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Bağı Kaldır" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Bağları Temizle" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Bağ Sıralarını Ayarla" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Bağ Sırasını Değiştir" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Bağları Güncelle" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Bağı Güncelle" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Birim Hücre Ekle…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Birim Hücresini Kaldır" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Birim Hücresini Düzenle" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Atomları Hücreye Sar" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Hücre Hacmini Uyarla" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Süper Hücre Oluştur" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli Redüksiyon" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Standart Yerleşime Döndür" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Temel Ögeye İndirge" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Hücreyi Konvansiyonelleştirin" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Hücreyi Simetrikleştir" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Birim Hücreyi Doldur" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Hücreyi Asimetrik Birime İndirge" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Atom Konumlarını Değiştirme" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Atom Konumunu Değiştir" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Atom Etiketini Değiştir" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Seçilenleri Değiştir" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekülü Değiştir" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Ayarlar" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Bloğu." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Dosya" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Dışa Aktar" #: qtplugins/3dmol/3dmol.h:42 #, fuzzy msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Elementleri Değiştir…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Yapı" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Atomların elementlerini değiştir." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Hizala" #: qtplugins/aligntool/aligntool.cpp:53 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Molekülleri Hizala\n" "\n" "Sol Fare: En fazla iki atom seçin.\n" "\tİlk atom orijinde ortalanır.\n" "\tİkinci atom seçilen eksene hizalanır.\n" "Sağ Fare:\tHizalamayı sıfırlayın.\n" "Çift Tıklama:\tAtomu orijinde ortalar." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "X Ekseni:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Başlangıçta Hizala" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Eksene Hizala" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Atomu orijinde ortalayın." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Atomu belirtilen eksene hizalamak için molekülü döndürün." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Hizalama aracı" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Molekülleri bir Kartezyen eksene hizalama" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS'yi çalıştır…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Çıktı Dosyasını Aç…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Girdi" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Çıktı Dosyasını Aç" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX Dosyası (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "G/Ç Hatası" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Yapı dosyası okunurken hata oluştu (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX Hatası" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "OpenDX dosyası okunurken hata oluştu: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "OpenDX dosyası okunurken hata oluştu: Küp bulunamadı" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS yardımcı programlarıyla etkileşim kurun." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB Dosyası Aç" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Dosyaları (* .pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR Dosyası Aç" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Dosyaları (* .pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Hata" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APBS çalıştırken hata oluştu: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Lütfen PDB dosyasını belirtin" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Başarı" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS Giriş Dosyasını Kaydet" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Giriş dosyası '%1' e yazılmış" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "%1 dosyası kaydedilemiyor." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "Özel Renge Göre…" #: qtplugins/applycolors/applycolors.cpp:52 #, fuzzy msgid "By Atomic Index…" msgstr "Atom İndeksine Göre…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "Mesafeye göre…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "Elemente Göre" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "Zincire Göre" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "Kısmi Talep ile…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "İkincil Yapıya Göre" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "Amino Aside Göre" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "Şekil Düzenine Göre" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Isı" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Sıcak" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Gri" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Cehennem" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spektral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Soğuk sıcak" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Denge" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Mavi-Koyu Kırmızı" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Atomlara ve kalıntılara renk düzenleri uygula." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Görünüm" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Atomları Renklendir" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Kalıntıları Renklendir" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Renk Haritasını Seç" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Renk Haritası:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Renkleri Uygula" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimize Geometry" msgid "Optimize" msgstr "İyileştir" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Yöntem:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Sıcaklık:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Başlat" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Dur" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Geometriyi İyileştir" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Molekül Dinamikleri" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom ölçeği" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bağ ölçeği" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Opaklık" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Çoklu bağları göster" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Hidrojenleri göster" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Atomları küre, bağları silindir olarak işle." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bağ Merkezli Yönlendirme" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, fuzzy, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Tahvil Merkezli Manipülasyon Aracı\t(%1)\n" "\n" "Sol Fare:\tGörünümü döndürmek için tıklayın ve sürükleyin.\n" "Orta Fare:\tYakınlaştırmak veya uzaklaştırmak için tıklayın ve sürükleyin.\n" "Sağ Fare:\tGörünümü taşımak için tıklayın ve sürükleyin.\n" "Çift Tıklama:\tGörünümü sıfırlayın.\n" "\n" "Manipülasyon Düzlemini ayarlamak için bir Bağın üzerine Sol Tıklayıp " "Sürükleyin:\n" "Açıyı değiştirmek için Bağdaki Atomlardan birini Sol Tıklayıp Sürükleyin\n" "Uzunluğu değiştirmek için Bağdaki Atomlardan birine Sağ Tıklayıp Sürükleyin" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bağ merkezli manipülasyon aracı." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Bağ uzunluklarını ve açılarını değiştirerek molekül geometrisini düzenlemek " "için kullanılan araç." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Atomları Bağla" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Bağları Kaldır" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Bağ Oluşturmayı Yapılandır…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Seçilen Atomları Bağla" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Bağ" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Tüm atomlardan veya seçilen atomlardan bağları kaldırın." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Tüm atomlar veya seçilen atomlar arasında bağlar oluşturun." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bağ oluşturma" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Bağlama işlemlerini gerçekleştirin." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Omurga" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "İz" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tüp" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Şerit" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Basit Karikatür" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Karikatür" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "İp" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Biyomolekül şeritlerinin / karikatürlerinin gösterimi." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Ağırlık Merkezi Ekle" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Kütle Merkezi Ekleme" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Dikme Ekle" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Ağırlık Merkezi" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Merkezleri ve kütle merkezini ekleyin." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Azami mesafe:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Çizgi genişliği:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Temas" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Tuz Köprüsü" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "İtici" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Atomlar arasındaki yakın temasları görüntüle." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Eklentiler" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Betikler" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "'%1' çıktı dosyası okunurken hata oluştu:\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "%1 işleniyor" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Python yorumlayıcısının yolunu ayarlayın:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Harici komut dosyalarını çalıştırmak için python yorumlayıcısını seçin.\n" "Herhangi bir değişikliğin etkili olması için Avogadro yeniden " "başlatılmalıdır." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Komut betikleri" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Harici komut dosyası komutlarını çalıştırın" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python Ayarları…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Python İndir" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Birçok Avogadro özelliği için Python kullanılır. Python'u indirmek ister " "misiniz?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Python ortamlarını ayarlayın." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "Diğer…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Kısıtlamalar…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Hesapla" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Kısıtlamalar" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Mesafe" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Açı" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Atomu Dondur" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "X Eksenini Dondur" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Y Eksenini Dondur" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Z Eksenini Dondur" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Tip" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Değer" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomik &Koordinat Düzenleyicisi…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinat düzenleyicisi" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Atomik koordinatların metin düzenlemesi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Değişikliklerin üzerine yazılsın mı?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Metin belgesi değiştirildi. Değişikliklerinizi atmak ve mevcut moleküle geri " "dönmek ister misiniz?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Satırda çok az giriş var." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Geçersiz element adı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element adı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Geçersiz element simgesi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element simgesi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Geçersiz atom etiketi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Geçersiz atom indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atom indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Geçersiz atom numarası." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atom numarası." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Geçersiz koordinat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' çapraz koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' çapraz koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' çapraz koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Geometri uygulanırken hata oluştu" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Geometri belirtimi ayrıştırılamadı. Vurgulanan hataları düzeltip tekrar " "deneyin.\n" "\n" "(İpucu: Hatanın açıklaması için fareyi kırmızı metnin üzerinde tutun.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Atomik Koordinatları Düzenle" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Özel" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ biçimi (simgeler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ formatı (isimler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ biçimi (atom numaraları)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Çapraz koordinatlar (simgeler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Çapraz koordinatlar (atom numaraları)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS formatı (semboller)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS formatı (isimler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole biçimi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Kopyala" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Kes" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Sil" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Yapıştır" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChl" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Düzen" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Molekülü Kırpma Hatası" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Pano verileri oluşturulurken hata meydana geldi." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Çıktı biçimi: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Okuyucu hatası:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Molekülü Yapıştırma Hatası" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Molekül yapıştırılamıyor: Pano boş!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Pano verilerini okuma hatası." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Algılanan biçim: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopyala ve Yapıştır" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Pano ile etkileşim kurun." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Enerji" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Enerji ve Kuvvetler" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Geometri İyileştirmesi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Elektronik yapı yöntemleri (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Molekül Mekanikleri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrit kuantum klasik (Henüz desteklenmiyor)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "HİÇBİRİ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMİK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "ÇEKİRDEK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "YOĞUNLUKLAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "RASTGELE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "TEKRAR BAŞLAT" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SEYREK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "En dik iniş" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Girdi dosyası değiştirildi. Yeni geometriyi veya iş seçeneklerini yansıtmak " "için değişikliklerinizin üzerine yazmak ister misiniz?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Değiştirilmiş girdi dosyasının üzerine yazılsın mı?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Kristali Panodan İçe Aktar…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Birim Hücresini Düzenle…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Atomları Birim Hücreye Sar" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Standart &Yerleşime Döndür" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Hücre &Hacmini Uyarla…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "&Süper Hücre Oluştur…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Hücre İndirge (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Kaldır &Birim Hücre" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Ekle &Birim Hücre" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Kristali Panodan İçe Aktar" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Atomları birim hücreye sar." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Birim hücreyi standart oryantasyona döndür." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli Kristali Azalt" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Birim hücre zaten indirgendi." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Kristale özgü düzenleme / analiz araçları." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Çizgi rengi:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Birim hücre sınırlarını görüntüle." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Metin Ayrıştırılamıyor" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Verilen formatla veriler okunamadı." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Birim hücre yok." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Özel Elementleri Yeniden Düzenle…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Geçerli moleküldeki özel öğe türlerini değiştirin." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Özel Elementler" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Çiz" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Atom Çiz" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Bağ Türünü Değiştirin" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Bağı Kaldır" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Mesafe:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Düzenleyici aracı" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Kendiliğinden" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Tek" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Çift" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Üçlü" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&İçe Aktar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "PDB Al" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Kodu" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "İndirilecek kimyasal yapı." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Geçersiz PDB Kodu" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB kodu tam olarak 4 karakterden oluşmalı." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB kodunun ilk karakteri 1'den 9'a kadar bir rakam olmalı." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "%1 için sorgulanıyor" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Ağdan İndirme Başarısız" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Ağ zaman aşımı veya başka bir hata." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Belirtilen molekül bulunamadı : %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB'den Al" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Odaklamayı Bırak" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Odakla" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Görüntüyü belirli özelliklere odakla." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Molekülün atomları için kuvvet alanı görselleştirmelerini işle." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Kuvvetler" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Yapılandır…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Seçilen Atomları Dondur" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Seçilen Atomları Çöz" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Optimizasyon için atom ihtiyacı karşılanmadı" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Enerji: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Enerji = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Kuvvet Alanı Optimizasyonu" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Otomatik algılama (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS girdisi" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESS için girdi oluşturun." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Tek Nokta" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Denge Geometrisi" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Geçiş Durumu" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Frekanslar" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Çekirdek Potansiyeli" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Hiçbiri" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Su" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Tekli" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Çiftli" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Üçlü" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dikte" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Katyon" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Nötr" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Anyon" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianyon" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "GAMESS girdi dosyasını kaydet" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "GAMESS Hesaplaması Gönder" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "Hidrojenleri &ayarla" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Hidrojenleri Ekle" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "&Fazla Hidrojenleri Kaldır" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "Tüm Hidrojenleri &Kaldır" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Mevcut molekülden hidrojen ekleyin / çıkarın." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Hidrojenler" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrojenler" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR'den İçeri Aktar" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR'den molekül indir." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA|RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Ekle" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy msgid "Insert DNA/RNA…" msgstr "Ekle DNA|RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Urasil" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Molekül Ekle…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "3D molekül üretiliyor…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekül…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Dosya okunurken hata oluştu (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Parça Ekle" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Parça Ekle" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Daha büyük moleküller inşa etmek için molekül parçaları ekle." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Renk:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Merkeze uzaklık:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "İndeks" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Eşsiz Kimlik" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Atom Etiketi:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Uzunluk" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "Kimlik" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Ad" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Top ve çubuk biçemlerinde etiketleri görüntüleyin." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Etiketleri Düzenle" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Etiket Oluştur" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Etiket düzenleme aracı" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Ön izleme metnini güncellemek istiyor musunuz, Lammps girdi destesinin ön " "izleme bölmesinde yapılan tüm değişiklikler kaybedilecek?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChl…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Tanımlayıcı bulunamadı!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Satır biçimi okuyucu bulunamadı!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "İstenen biçim okuyucusu yüklenemiyor." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Koordinat bulunamadı!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "3B koordinatları oluşturulamıyor." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Tek satırlı molekül tanımlayıcılarını bir giriş iletişim kutusu aracılığıyla " "yükleyin." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Düzenleme aracı" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Ölçü" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Açı:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Ölçüm aracı" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Molekül Adı" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Molekül Kütlesi (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Kimyasal Formül" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Atom Sayısı" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Bağ Sayısı" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Molekül…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Bir molekülün genel özelliklerini görüntüleyin." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Özellikler" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Molekül Özellikleri" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Molekül Özellikleri" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "CSV Olarak Dışa Aktar" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Dosyaları (*.csv);;Tüm Dosyalar (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Yazmak için dosya açılamadı." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Dosyaya yazma hatası." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Dışa Aktar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Gezinme" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Gezinme aracı" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Kimyasal Ad" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Ağ Veri Tabanları" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Çevrimiçi veritabanları, sorgu yapıları vb. ile etkileşim kurun." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Açı toleransı:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Halojen" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Kuvvet Alanını Yapılandır…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Uyumlu Arama…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Bağları Algıla" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "pH için Hidrojenleri Ekle…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Hidrojenleri Kaldır" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Open Babel dosya biçimleri eklenmeye hazır değil." #: qtplugins/openbabel/openbabel.cpp:206 #, fuzzy msgid "Loading molecule from Open Babel…" msgstr "Open Babel'den molekül yükleniyor…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Dahili bir hata oluştu: OpenBabel::readMolecule çağrıldı, ancak " "ayrıştırılacak obabel çıktısı yok!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Open Babel (%1) çalıştırılırken bir hata oluştu." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Openbabel çıktısı ayrıştırılırken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Desteklenen güç alanları listesi alınırken bir hata oluştu. ('%1') " "kullanarak." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekül geçersiz. Geometri iyileştirilemiyor." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Geometriyi Optimize Et (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 #, fuzzy msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Mevcut molekülün Open Babel gösterimini oluştururken dahili bir hata oluştu." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 başlatılıyor…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Adım %1 / %2\n" "Mevcut enerji: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Molekül güncelleniyor…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Open Babel çıktısı yorumlanırken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "obabel çıktısındaki atom sayısı (%1), orijinal moleküldeki atom sayısıyla " "(%2) eşleşmiyor." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Open Babel ile dosya açılamıyor." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Geçersiz molekül: Bağlar algılanamıyor." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "XYZ gösterimi oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "XYZ dizgesi oluşturulurken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Open Babel'den molekül güncelleniyor…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Open Babel ile hidrojen eklenemiyor." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Hidrojenler Ekleniyor (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Open Babel girdisi oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Open Babel girdisi oluşturulurken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "%1 çalıştırılıyor…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "pH için hidrojenleri ekle" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "obabel girdisi oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Open Babel ile hidrojenler kaldırılamıyor." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Hidrojenler Kaldırılıyor (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "obabel çıktısı okunuyor…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel zaten çalışıyor. Diğer işlemin tamamlanmasını bekleyin ve tekrar " "deneyin." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Betiği…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "OpenMM girdi destesi ön izleme bölmesindeki değişiklikleri kaybederek, ön " "izleme metnini güncellemek istiyor musunuz?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "Doğru" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Ekranın köşesinde referans eksenleri işleyin." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1, %2 konumuna indiriliyor\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Durum" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Sürüm" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Açıklama" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Girdi Üreteci" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "HATA: İçeriğini listelemek için zip dosyası açılamadı.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "HATA: Dosyaları çıkarmak için zip dosyası açılamadı.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Uyarı: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "Oynatıcı" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Kare:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Dinamik bağ?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Kare hızı:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Oynat" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Biteşlem Grafik Dışa Aktar" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);; Film (*.avi);; GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF FPS desteği uyarısı" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF dosya biçimi, 100 FPS'nin üzerindeki kare hızlarını desteklemez." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Film (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Hata: videoya kare eklenemiyor." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Oynatıcı aracı" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Yörüngeleri oynatın" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Çift Dağıtım Fonksiyonunu Çiz…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "PDF kalıbı oluşturulamadı" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Hata mesajı: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Çift Dağıtım İşlevi eğrisi oluşturun ve çizin." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Teorik XRD Deseni Çiz…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "XRD deseni oluşturulamadı" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Molekül CIF formatına dönüştürülemedi." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "GenXrdPattern'den okunan veriler bozuk görünüyor!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Hata: genXrdPattern çalıştırılabilir dosyası bulunamadı!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Hata: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "ObjCryst++ kullanarak teorik bir XRD deseni oluşturun ve çizin." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Güncelle" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Eklenti verileri indirilirken hata oluştu." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Eklenti verileri ayrıştırılırken hata oluştu." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Bu eklenti belirli paketlerin kurulmasını gerektirir.\n" "Onları kurmak ister misiniz?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Her zaman" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Hiçbir zaman" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1, %2 konumuna çıkarılıyor\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "%1 dosya tamamlandı\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Çıkarma başarılı\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Çıkarırken hata oluştu: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Eklentileri İndir…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Eklentileri İndir" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "GitHub depolarından eklentileri indirin." #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "PLY İşleme…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Dosyayı Kaydet" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Metin dosyası (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "Sahneyi PLY kullanarak işleyin." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray İşleme…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Metin dosyası (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "POV-Ray kullanarak sahneyi işleyin." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Değerlik" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Etiket" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Renk" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Atom Bitir" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Bağ Sırası" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Uzunluk (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "İkincil Yapı" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Heterojen" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Köşe" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Açı (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Enerji (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bağ Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Açı Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Bükülme Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Kalıntı Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Özellikler" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Atom Özellikleri" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Bağ Özellikleri" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Açı Özellikleri" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Bükülme Özellikleri" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Uydurma Özellikleri" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Kalıntı Özellikleri" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Atomu Dondur" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM (MAKT)" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Temel ögeleri QTAIM özelliklerini kullanarak işler" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekül Grafiği…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomik Yük…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "WFN Dosyasını Aç" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN dosyaları (*.wfn);; Tüm dosyalar (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM uzantısı" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Ortala" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Görünümü Eksene Hizala" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Görünümü eksene hizala." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Görünümü Sıfırla" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Komut Dosyası Biçimleri" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Harici komut dosyalarından dosya okuyucu / yazıcılar yükleyin." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Tümünü Seç" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Tümünün Seçimini Kaldır" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Seçimi Ters Çevir" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Element ile seç…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Atom dizini ile seç…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Kalıntı ile seç…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Seçimleri değiştir" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seç" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Element Seç" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Atom Seç" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Seç" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Seçim" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Atomları Boya" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Seçim aracı" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Yeni Katman" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Uzay Grubu Algıla…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Asimetrik Birime İndirge" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Toleransı Ayarla…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Birim Hücreyi Doldur…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Uzay Grubu" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Uzay grubu algılama başarısız oldu.\n" "Farklı bir tolerans ile tekrar denemek ister misiniz?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "İlkel İndirgeme" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Tolerans şu anda %1 olarak ayarlanmıştır.\n" "Bu toleransla devam edilsin mi?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Uluslararası" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Uzay Grubu Seç" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Uzaygrubu" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Kristaller için uzay grubu özellikleri." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Spektral" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Kızılötesi" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Arka Plan Rengini Seç" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Ön Plan Rengini Seç" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Dalga Boyu (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Frekans (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "Raman Spektral" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "NMR Spektral" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Enerji (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Yüzey" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Simetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekül Yörüngesi" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektron Yoğunluğu" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Dosyadan" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Yüzeyleri oluştur…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Van der Waals yüzeyini görüntüle." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Molekül yörüngesini görüntüle." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Elektron yoğunluğunu görüntüle." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Elektron yoğunluğu hesaplanıyor" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Filmi Dışa Aktar" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Film MP4 (* .mp4) ;; Film AVI (* .avi) ;; GIF (* .gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Yüzeyleri okuyun ve işleyin." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Sınıf" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Simetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Simetri işlevselliği sağlayın." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Şablon" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Pano" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Şablon Ekle" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Şablon aracı" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW kürelerinin basit gösterimi." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Titreşim Modları…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Titreşim modunu ayarla." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Titreşim" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Titreşim modlarını göster." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML İşleme…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Metin dosyası (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Sahneyi VRML kullanarak işleyin." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Molekülü bir telekafes olarak oluşturun." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Hata: %1 başlatılamadı" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diyalog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Hesaplama Ayarları" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Yer tutucu metin…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Sıfırla" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Hata Ayıklama Betiği…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Hesaplamayı Gönder…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Girdiyi Kaydet…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Sıra ve Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Yenile" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Bu iş için ayrılacak işlemci çekirdeği sayısı.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "İşlemci çekirdekleri:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

İş tamamlandıktan sonra uzaktaki çalışma dosyalarını " "sil. Sonuçlar yine de ilk olarak yerel MoleQueue iş önbelleğine " "kopyalanacaktır.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Tamamlandığında uzak dosyaları sil:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Bu işin varsayılan olarak MoleQueue GUI'de " "gösterilmesini önlemek için denetleyin.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "MoleQueue'de işi gizle:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

İşin durumu değiştiğinde bir sistem açılır bildirimi " "göster.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "İlerleme bildirimlerini göster:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Bittiğinde çıktıyı aç:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Elementleri Yeniden Adlandır" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Parça Ekle…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Eşleşen dosyaları göstermek için bir ad veya adın bir kısmını yazın." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Ekle" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "Panoya &Kopyala" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Yapı Girdi Dosyası" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "PDB'den Giriş Oluştur" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Dosyası:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Güç Alanı:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Mevcut PQR Dosyasını Yükle" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR Dosyası:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Giriş Dosyası" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS'yi çalıştır" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Başarılı!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Yapı Dosyasını Yükle" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Küp Dosyasını Yükle" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Kısmi Yük" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Ortam adı:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Betikleri çalıştırmak için kullanılan Python sürümünü seçin.\n" "Değişikliklerin etkili olması için Avogadro'nun yeniden başlatılması gerekir." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Ortam:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Tip:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Değer:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Ekle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Seçenekler" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Seçilenleri Sil" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Tümünü Sil" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Tamam" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinat Düzenleyici" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Mesafe Birimi:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Bİçim:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Yardım…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Yapıştır" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Temizle" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Uygula" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Tümünü Sıfırla" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Dosyayı Kaydet…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Temel Kurulum" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Başlık:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Dosya Adı Tabanı:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Hesapla:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Uygula" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Gizle" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Birim Hücre Hacmi Uyarla" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bağ sırası:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Enerji yakınsaması:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Otomatik algıla" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Ara" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "isim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etiket" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formül" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formül:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "İndir" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ad:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "Diğer" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Tek" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Çift" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparajin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartik asit" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Sisten" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutamik asit" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glisin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gli" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "İzolösin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tir" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Triptofan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Treonin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Tre" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Fenl" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lizin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Liz" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Lösin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Lös" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "açı" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bağ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Koordinat dosyası için kullanılacak adı belirtin." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordinat Veri Dosyası" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Sıcaklık" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Bir Satır" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Çok Satırlı" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Oluştur…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Molekül Merkezi" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Seçim Merkezi" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X ekseni" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y ekseni" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z ekseni" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Taşı:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Seçilen Atomlar" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Diğer Her Şey" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Uyumlu Arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematik rotor arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Rastgele rotor arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Ağırlıklı rotor arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Convergence:" msgstr "Yakınsaması:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Basit" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton Yöntemi" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "İş betiği:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "betik" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Kuvvet Alanı:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referans" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "tek" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "çift" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Yanlış" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Rastgele başlangıç hızı:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Basınç:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Hız" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potansiyel Enerji" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetik Enerji" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Toplam Enerji" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Çizim Seçenekleri" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Dalga boyu:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Seçileni İndir" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Renk Uygula" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Görünüm" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Renk Ayarla…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Yazı Tipi Boyutu:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Göster" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&İçe Aktar…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Arka plan:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Dışa Aktar…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Verileri Dışa Aktar" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Kapat" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Seçenekler…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "Verileri &yükle…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kalite: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Çok Düşük" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Düşük" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Orta" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Yüksek" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Çok Yüksek" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Yapılandır" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Yüzey:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Çözünürlük:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Düzeltme:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Açık" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Güçlü" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Hesapla" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Film Kaydet…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekül" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Alt gruplar" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Alt gruplar:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Sıkı" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Gevşek" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Çok Gevşek" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy msgid "Centers" msgstr "Ortala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Panodan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Gruplar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Bu onay kutusu işaretlenmeden önce Fermi seviyesi " "bilinmelidir. Fermi seviyesini bir durum yoğunluğu hesaplaması yaparak ve " "elde edilen veriyi görüntüleyerek bulabilirsiniz (verinin üzerinde yer " "almaktadır). Ek olarak durum yoğunluğu hesaplaması yapıldığında elde " "edilecek sonuç buradaki Fermi seviyesi değeri olarak otomatik olarak " "atanacaktır.

Eğer bu onay kutusu işaretliyse doğru Fermi seviyesinin " "sağdaki döndürme kutusunda seçildiğinden emin olunuz.

Varsayılan: off" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" "

Bu iş için ayrılacak işlemci çekirdeği sayısı. " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Boyut Sayısı:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Osman Tosun,Yahuda,aLsanCaK,hknrgl, ,Launchpad " "Contributions:,Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,Macky,Osman " "Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad Contributions:,Efe " "Çiftci,Macky,Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,Macky,Osman " "Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad Contributions:,Efe " "Çiftci,Macky,Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,K. Deniz Ogut,Macky,Osman " "Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Avogadro Team,Efe Çiftci,K. Deniz Ogut,Macky,Osman " "Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Avogadro Team,Efe Çiftci,K. Deniz Ogut,Macky,Osman " "Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Abdurrahman OLĞAÇ,Avogadro Team,Cihan Ersoy,Efe Çiftci,Erkut " "Tiryakioglu,Hüseyin Kozan,K. Deniz Ogut,Mustafa Yılmaz,Osman Tosun,Sinan " "Özgün,Yahuda,Yildiray Topcu,aLsanCaK,ubuntuki, ,Launchpad " "Contributions:,Abdurrahman OLĞAÇ,Avogadro Team,Cihan Ersoy,Efe Çiftci,Erkut " "Tiryakioglu,Hüseyin Kozan,K. Deniz Ogut,Mustafa Yılmaz,Osman Tosun,Sinan " "Özgün,Yahuda,Yildiray Topcu,aLsanCaK,haydar,ubuntuki, ,Launchpad " "Contributions:,Abdurrahman OLĞAÇ,Avogadro Team,Cihan Ersoy,Efe Çiftci,Erkut " "Tiryakioglu,Geoff Hutchison,Hüseyin Kozan,K. Deniz Ogut,Kudret EMRE,Mustafa " "Yılmaz,Osman Tosun,Sinan Özgün,Yahuda,Yildiray Topcu,aLsanCaK,haydar,ubuntuki" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,rainman.neu@gmail.com,,,hknrgl@gmail.com,,,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,efeciftci@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr,,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,efe.ciftci@linux.org.tr,,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,efe.ciftci@linux.org.tr,,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,abdurrahmanolgac@bireczaci.com,avogadro-" "devel@lists.sourceforge.net,,efe.ciftci@linux.org.tr,,posta@huseyinkozan.com.tr,,apshalasha@gmail.com,rainman.neu@gmail.com,para4360@gmail.com,,ytopcu@gmail.com,,,,,abdurrahmanolgac@bireczaci.com,avogadro-" "devel@lists.sourceforge.net,,efe.ciftci@linux.org.tr,,,,apshalasha@gmail.com,rainman.neu@gmail.com,para4360@gmail.com,,ytopcu@gmail.com,,hhaydarakdag@gmail.com,,,,abdurrahmanolgac@bireczaci.com,avogadro-" "devel@lists.sourceforge.net,,efe.ciftci@linux.org.tr,,,,,kudretemre@hotmail.com,apshalasha@gmail.com,rainman.neu@gmail.com,para4360@gmail.com,,ytopcu@gmail.com,,hhaydarakdag@gmail.com," #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "'%1' seçeneği bir nesneye başvurmuyor." #, qt-format #~ msgid "Tab %1" #~ msgstr "Sekme %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Hata: '%1' anahtarı için değer nesne olmalıdır." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Renk Opaklığı Haritasını Düzenle…" #, fuzzy #~ msgid "ColorOpacityMap" #~ msgstr "Renk Opaklığı Haritasi" #~ msgid "Cube" #~ msgstr "Küp" #~ msgid "Enable surface rendering" #~ msgstr "Yüzey oluşturmayı etkinleştir" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Betik yüklenemiyor %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "%2 dizininde %1 komut dosyası olup olmadığı kontrol ediliyor" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Açılar:" #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "İptal" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid " nm" #~ msgstr " nm" #~ msgid " K" #~ msgstr " K" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " atm" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 kcal/mol" #~ msgid "unknown molecule" #~ msgstr "bilinmeyen molekül" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Referans Eksen Kaplaması" #~ msgid "Meshes" #~ msgstr "Ağlar" #~ msgid "Plot RMSD curve…" #~ msgstr "RMSD eğrisini çiz…" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "RMSD eğrisi oluşturun ve çizin." #, fuzzy #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Molekülleri Hizala\n" #~ "\n" #~ "Sol Fare: En fazla iki atom seçin.\n" #~ "\tİlk atom orijinde ortalanır.\n" #~ "\tİkinci atom seçilen eksene hizalanır.\n" #~ "Sağ Fare: Hizalamayı sıfırlayın.\n" #~ "Çift Tıklama: \tAtomu orijinde ortalar." #, fuzzy #~| msgid "&Import" #~ msgid "&Import..." #~ msgstr "&İçe Aktar" #~ msgid "Set Color..." #~ msgstr "Rengi Ayarla..." #~ msgid "&Export..." #~ msgstr "&Dışa Aktar..." #~ msgid "Partial Charge" #~ msgstr "Kısmi Yük" #, fuzzy #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Tahvil Merkezli Manipülasyon Aracı\n" #~ "\n" #~ "Sol Fare: Görünümü döndürmek için tıklayın ve sürükleyin.\n" #~ "Orta Fare: Yakınlaştırmak veya uzaklaştırmak için tıklayın ve " #~ "sürükleyin.\n" #~ "Sağ Fare: Görünümü taşımak için tıklayın ve sürükleyin.\n" #~ "Çift Tıklama: \tGörünümü sıfırlayın.\n" #~ "\n" #~ "Manipülasyon Düzlemini ayarlamak için bir Bağın üzerine Sol Tıklayıp " #~ "Sürükleyin:\n" #~ "Açıyı değiştirmek için Bağdaki Atomlardan birini Sol Tıklayıp Sürükleyin\n" #~ "Uzunluğu değiştirmek için Bağdaki Atomlardan birine Sağ Tıklayıp " #~ "Sürükleyin" #~ msgid "Animation Tool" #~ msgstr "Animasyon Aracı" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Geometriyi İyileştir" #~ msgid "Add Unit Cell" #~ msgstr "Birim Hücresi Ekle" #~ msgid "By Atomic Index" #~ msgstr "Atom Dizinine Göre" #~ msgid "By Distance" #~ msgstr "Uzaklığa Göre" #, fuzzy #~| msgid "Select by Atom Index…" #~ msgid "Select Water…" #~ msgstr "Atom dizini ile seç…" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopyala" #~ msgid "Molecule Name:" #~ msgstr "Molekül Adı:" #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Girişi (* .in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Giriş oluşturucu komut dosyalarını çalıştırmak için kullanılan python " #~ "yorumlayıcısını seçin.\n" #~ "Herhangi bir değişikliğin etkili olması için Avogadro yeniden " #~ "başlatılmalıdır." #~ msgid "Set Python Path…" #~ msgstr "Python Yolunu Ayarla…" #~ msgid "Fragment…" #~ msgstr "Parçala…" #~ msgid "Record Movie..." #~ msgstr "Film Kaydet..." #, fuzzy #~| msgid "Other…" #~ msgid "Other..." #~ msgstr "Diğer…" #~ msgid "Client server operations." #~ msgstr "İstemci sunucu işlemleri." #~ msgid "S&erver" #~ msgstr "&Sunucu" #~ msgid "Connection failed" #~ msgstr "Bağlantı başarısız" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "%2:%3 bağlantısı başarısız oldu: bağlantı reddedildi." #~ msgid "Remote service error" #~ msgstr "Uzaktan hizmet hatası" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Bağlantı başarısız oldu: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "istemciSunucu/%1:%2/açılanSonDizin" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*. %1" #~ msgid "Client server" #~ msgstr "İstemci sunucusu" #~ msgid "Connection refused" #~ msgstr "Bağlantı reddedildi" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "%2 ile bağlantı: %3 başarılı!" #~ msgid "Filename" #~ msgstr "Dosya adı" #~ msgid "Mongo Chem Server" #~ msgstr "Mongo Chem Sunucusu" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Mongo Chem Server ile Arayüz." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Yapı Dosyasını Yükle" #~ msgid "Port" #~ msgstr "Bağlantı Noktası" #~ msgid "Navigate Back" #~ msgstr "Geri Git" #~ msgid "Navigate Forward" #~ msgstr "İleri Git" #~ msgid "Files of type:" #~ msgstr "Dosya türü:" #~ msgid "Element & Ordinal" #~ msgstr "Element ve Sıra" #~ msgid "'c' coordinate." #~ msgstr "'c' koordinatı." #~ msgid "All files (*);;" #~ msgstr "Tüm Dosyalar (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rombohedral" #~ msgid "Layer" #~ msgstr "Katman" #, fuzzy #~| msgid "Insert Molecule…" #~ msgid "Insert Molecule..." #~ msgstr "Molekül Ekle…" #, fuzzy #~| msgid "Generating 3D molecule…" #~ msgid "Generating 3D molecule..." #~ msgstr "3D molekül üretiliyor…" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Dosya var ve yazılabilir değil." #~ msgid "Simple display of Cartoons family." #~ msgstr "Karikatürler ailesinin basit gösterimi." #~ msgid "Error interpreting obabel CML output." #~ msgstr "obabel CML çıktısı yorumlanırken hata oluştu." #~ msgid "Error generating CML data." #~ msgstr "CML verileri oluşturulurken hata oluştu." #~ msgid "Run APBS..." #~ msgstr "APBS'yi çalıştır..." #~ msgid "Open Output File..." #~ msgstr "Çıktı Dosyasını Aç..." #~ msgid "Crystal..." #~ msgstr "Kristal..." #~ msgid "Write" #~ msgstr "Yaz" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "Add Hydrogens for pH..." #~ msgstr "pH için Hidrojenleri Ekle..." #~ msgid "Atom Properties..." #~ msgstr "Atom Özellikleri..." #~ msgid "Bond Properties..." #~ msgstr "Bağ Özellikleri..." #~ msgid "Angle Properties..." #~ msgstr "Açı Özellikleri..." #~ msgid "Torsion Properties..." #~ msgstr "Bükülme Özellikleri..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekük Özellikleri..." #~ msgid "Symmetry..." #~ msgstr "Simetri..." #~ msgid "Theory:" #~ msgstr "Teori:" #~ msgid "Default value missing for option '%1'." #~ msgstr "'%1' seçeneği için varsayılan değer eksik." #~ msgid "Distance: %L1 Å" #~ msgstr "Mesafe: %L1 Å" #~ msgid "Reset to Default Values" #~ msgstr "Varsayılan Değerlere Sıfırla" #~ msgid "Write files to disk..." #~ msgstr "Dosyaları diske yaz ..." #~ msgid "Rotatable" #~ msgstr "Döndürülebilir" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Uydurucu %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Uydurucu %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Açı:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Uydurucu %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Bükülme %1" #, fuzzy #~ msgid "Torsion" #~ msgstr "Bükülme %1" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "İçe Aktar" #~ msgid "Insert SMILES" #~ msgstr "SMILES Ekle" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES parçası ekle" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Kristal Yapıştır" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Daha büyük moleküller inşa etmek için molekül parçaları ekle" #~ msgid "Plugin Downloader" #~ msgstr "Eklenti İndirici" #~ msgid "E&xtensions" #~ msgstr "&Eklentiler" #~ msgid "Symmetry Properties..." #~ msgstr "Simetri Özellikleri ..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "Geometriyi &Optimize Et" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrik Optimizasyon" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Hidrojenleri Ekle" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Yüzeyler" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "İndekse Göre Renklendir (kırmızı, turuncu, sarı, yeşil, mavi, mor)" #~ msgid "Color by Partial Charge" #~ msgstr "Kısmi Yüke Göre Renklendir" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Atomik Kısmı Yüke Göre Renklendir (mavi = pozitif, kırmızı = negatif)" #~ msgid "Set custom colors for objects" #~ msgstr "Nesneler için özel renkler belirle" #~ msgid "Color by distance from the first atom." #~ msgstr "İlk atomdan başlayarak uzaklığa göre renklendir." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Elemente Göre Renk (karbon = gri, oksijen = kırmızı, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Kalıntıya Göre Renk (amino asit tipi, kuzu hastalığına ait,...)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Şablonu:" #~ msgid "Highlight Color:" #~ msgstr "Vurgulama rengi:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "SMARTS Şablonu ile Renklendir" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Bir SMARTS şablonu ile eşleşen özellikleri vurgula." #~ msgid "Ununtrium" #~ msgstr "Ununtriyum" #~ msgid "Ununpentium" #~ msgstr "Ununpentiyum" #~ msgid "Ununseptium" #~ msgstr "Ununseptiyum" #~ msgid "Ununoctium" #~ msgstr "Ununoktiyum" #~ msgid "Engines" #~ msgstr "Motorlar" #~ msgid "Axes" #~ msgstr "Eksenler" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Primitifleri Toplar (Atomlar) ve Çubuklar (Bağlar) kullanarak kaplar" #~ msgid "Hydrogen Bond" #~ msgstr "Hidrojen Bağları" #~ msgid "Renders hydrogen bonds" #~ msgstr "Hidrojen bağlarını kaplar" #~ msgid "Select Atom Labels Color" #~ msgstr "Atom Etiketi Rengi Seç" #~ msgid "Select Bond Labels Font" #~ msgstr "Bağ Etiketi Fontu Seç" #~ msgid "Polygon" #~ msgstr "Çokgen" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Atomları dört yüzlü, sekiz yüzlü ve diğer çokgenler olarak kaplar" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Protein omurgasını şerit olarak kaplar" #~ msgid "Ring" #~ msgstr "Halka" #~ msgid "Renders rings with colored planes" #~ msgstr "Halkaları renklendirilmiş düzlemler olarak kaplar" #~ msgid "Simple Wireframe" #~ msgstr "Basit Telekafes" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Bağları tel (düz çizgi) olarak kaplar, büyük moleküller için uygundur" #~ msgid "Stick" #~ msgstr "Çubuk" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektron yoğunluğu, eşyüzey=%L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, eşyüzey = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Bağları tel (düz çizgi) olarak kaplar, büyük (biyo)moleküller için " #~ "uygundur" #~ msgid "Trajectory files" #~ msgstr "Yörünge dosyaları" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY GEÇMİŞ dosyaları" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi uzantısı ekleniyor" #~ msgid "Cannot read file format of file %1." #~ msgstr "%1 dosyasının dosya biçimi okunamıyor." #~ msgid "Read trajectory file %1 failed." #~ msgstr "%1 eğri dosyası okunamadı." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Geçerli bir .avi dosyası belirtilmeli." #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL aracı videoyu kaydetmek için düzgün bir şekilde hazırlanmamış" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Geçersiz video dosya adı. Klasör adı dahil tam yolu içermeli" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Geçersiz video dosya adı. Klasör adı dahil tam yolu .avi ile bitecek " #~ "şekilde içermeli" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Dosya isminden format belirlenemedi: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Yörüngeleri, reaksiyonları ve titreşimleri canlandırır." #~ msgid "Cartesian Editor" #~ msgstr "Kartezyen Editör" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Molekül için birim hücre tanımlanmadı -- kesirli koordinatlar " #~ "kullanılamaz." #~ msgid "Cartesian Editor..." #~ msgstr "Kartezyen Düzenleyici..." #~ msgid "Cartesian editor" #~ msgstr "Kartezyen editör" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Kısıtlama ekleyebilmek için molekülünüzde en az bir atom bulunmalı" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Bağ kısıtlaması ekleyebilmek için molekülünüzde en az iki atom bulunmalı" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Açı kısıtlaması ekleyebilmek için molekülünüzde en az üç atom bulunmalı" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Bükülme kısıtlaması ekleyebilmek için molekülünüzde en az dört atom " #~ "bulunmalı" #~ msgid "&Reduce" #~ msgstr "&Azalt" #~ msgid "&Length Unit" #~ msgstr "&Uzunluk Birimi" #~ msgid "Coordinate &Preservation" #~ msgstr "Koordinat &Koruma" #~ msgid "&Matrix Display" #~ msgstr "&Matris Görünümü" #~ msgid "Show &Editors" #~ msgstr "Göster & Editörleri" #~ msgid "Hide &Property Display" #~ msgstr "Sakla &Özellik Gösterimi" #~ msgid "Show &Property Display" #~ msgstr "Göster &Özellik Gösterimi" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Örgü Tipi: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Uzay Grubu: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Birim hücre hacmi: %L1%2" #~ msgid "Undefined" #~ msgstr "Tanımsız" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinik" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinik" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombik" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetregonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hegzagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kübik" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Hücre indirgeme işlemi 1000 indirgeme algoritması iterasyonundan sonra " #~ "başarısız oldu. Durduruluyor." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Standard &Yerleşime Döndür" #~ msgid "&Slab..." #~ msgstr "&Plaka" #~ msgid "Perceive Space&group..." #~ msgstr "Algıla Uzay&grubu" #~ msgid "Set &Spacegroup..." #~ msgstr "Ayarla &Uzay Grubu..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Birim Hücreyi Doldur" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Birim hücreyi seçili uzay grubu ile doldur." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "İndirge &Asimetrik Birim" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Eş pozisyonlardaki atomları kaldır (\"Birim Hücreyi Doldur\"un tersi)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "&Kristali Simetrikleştir" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Hücre İndirge (&Primitif)" #~ msgid "&Bohr" #~ msgstr "%Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Pikometre" #~ msgid "&Degree" #~ msgstr "&Derece" #~ msgid "&Radian" #~ msgstr "&Radyan" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Koru &Hücre Düzenleme Sırasında Kartezyen Koordinatları" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Koru &Hücre Düzenleme Sırasında Kesirli Koordinatları" #~ msgid "Display &cartesian matrix" #~ msgstr "Göster &Kartezyen Matris" #~ msgid "Display as &column vectors" #~ msgstr "Göster &sütun vektörleri olarak" #~ msgid "&Crystal View Options..." #~ msgstr "&Kristal Görünüm Seçenekleri..." #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Algılanan Uzay Grubu %1, Hall simgesi %2, Hermann-Mauguin simgesi %3." #~ "

Hücre geleneksel bir düzene göre simetrikleştirilebilir, bunu " #~ "yapmak istiyor musunuz? Simetri kullanan komutlar (örn. süperhücre " #~ "yapıcı) bunu gerektirir.

" #~ msgid "Set Spacegroup" #~ msgstr "Uzay Grubu ata" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Bu belge için atanmış bir uzay grubu yok.\n" #~ "Şimdi bir uzay grubu atamak ister misiniz?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Uzay Grubu P1 tespit edildi -- bu uzay grubuna simetrikleştirilemez.\n" #~ "\n" #~ "Farklı bir tolerans ile yeniden denemek ister misiniz?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Atomları Hücreye Sar" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Niggli Hücresine İndirge" #~ msgid "Crystallography" #~ msgstr "Kristalografi" #~ msgid "Trajectory..." #~ msgstr "Eğri..." #~ msgid "Open chemical file format" #~ msgstr "Kimyasal dosya biçimi aç" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Kimyasal dosyalar (*.xyz)" #~ msgid "Import trajectory files" #~ msgstr "Eğri dosyalarını içe aktar" #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematik Döner Arama" #~ msgid "Random Rotor Search" #~ msgstr "Rasgele Döner Arama" #~ msgid "Weighted Rotor Search" #~ msgstr "Ağırlıklı Döner Arama" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Molekülleri optimize et ve moleküler kuvvet alanları kullanarak uygun " #~ "hale getir" #~ msgid "H to Methyl" #~ msgstr "H'den Methyl'e" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrojenleri metil grubuna dönüştür" #~ msgid "Add or remove hydrogens" #~ msgstr "Hidrojenleri ekle veya kaldır" #~ msgid "Peptide..." #~ msgstr "Peptit..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Zayıf peptit dizisi ekle" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Tahmini Çift Kutuplu Zamanı (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Standart molekül özelliklerini göster." #~ msgid "Fetch from URL..." #~ msgstr "URL'den Al..." #~ msgid "PDB Entry" #~ msgstr "PDB Kaydı" #~ msgid "PDB entry to download." #~ msgstr "İndirmek için PDB kaydı." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "İndirmek için molekül URL'i" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Belirtilen molekül yüklenemedi : %1" #~ msgid "Network Fetch" #~ msgstr "Ağdan Alım" #~ msgid "Fetch molecule files over the network." #~ msgstr "Ağ üstünden molekül dosyalarını al." #~ msgid "Show Preview" #~ msgstr "Önizleme Göster" #~ msgid "Hide Preview" #~ msgstr "Önizlemeyi Gizle" #~ msgid "Save POV-Ray rendered image" #~ msgstr "POV-Ray kaplama resmini kaydet" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Resim Dosyaları (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "HErhangi bir geçerli dosya adı belirtilmedi." #~ msgid "Does not compute." #~ msgstr "Hesaplanmaz." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Doğrudan POV-Ray kullanarak kaplamak ve POV-Ray dosyasını korumak " #~ "istemediniz. Bu, çıktının kaydedilmemesine sebep olacak. Bunu " #~ "istediğinizden emin misiniz ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "%1 dosyasına yazılamıyor. Dosyanın konumuna yazma izninizin olduğundan " #~ "emin misiniz ?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray başlatılamadı." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray başlatılamadı. Belki de çalıştırılabilir dosyanın yolu yanlıştır." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "POV-Ray dosyalarını oluştur ve POV-Ray komut satırı programını kullanarak " #~ "kaplama yap." #~ msgid "Conformer Properties..." #~ msgstr "Uydurma Özellikleri..." #~ msgid "Python Terminal" #~ msgstr "Python Terminali" #~ msgid "Interactive python scripting terminal" #~ msgstr "Etkileşimli Python Betik Terminali" #~ msgid "QM Matches" #~ msgstr "QM Eşleşmeleri" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Seçimi..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Seçimi..." #~ msgid "You must make a selection!" #~ msgstr "Bir seçim yapmalısınız !" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Dönüşümü Kullanılamaz" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Biçim Dönüşümü Mevcut Değil" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "GAMESS kuantum kimya paketi için girdi dosyası oluştur" #~ msgid "Advanced Settings Changed" #~ msgstr "Gelişmiş Ayarlar Değişti" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Gelişmiş Ayarlar Değişti\n" #~ "Vazgeçilsin mi ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Gelişmiş Ayarları Sıfırla" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Gelişmiş Ayarları Sıfırlamak istiyor musunuz ?\n" #~ "Bütün değişiklikler kaybedilecek!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Basit Ayarları Sıfırlamak istiyor musunuz ?\n" #~ "Bütün değişiklikler kaybedilecek!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Girdi Destesi Üreteci Uyarısı" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Girdi Destesi" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Çalışıyor." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian hala çalışıyor. Önceki hesaplamanın bitmesini bekleyin." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Kurulu Değil." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 çalıştırılabilir dosyası bulunamıyor." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 başlamadı. Muhtemelen düzgün bir şekilde kurulmamış." #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian hesaplaması çalışıyor..." #~ msgid "G03 Crashed." #~ msgstr "G03 Çöktü." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian doğru çalışmadı. Muhtemelen düzgün bir şekilde kurulmamış." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Girdi Uyarısı" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Çalışıyor." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC hala çalışıyor. Önceki hesaplamanın bitmesini bekleyin." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Kurulu değil." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC çalıştırılabilir dosyası bulunamıyor." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC başlatılamadı." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC başlamadı. Muhtemelen düzgün kurulmamış." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC hesaplaması çalışıyor..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Göçtü." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC düzgün çalışmıyor. Muhtemelen düzgün kurulmamış." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Girdi Destesi Üretici Uyarısı" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Önceki yazıyı değiştirmek istiyor musunuz, NWChem girdi destesinin " #~ "önizleme bölmesinde yapılan değişikliklerin hepsi kaybedilecek ?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Girdi Destesi Üreteci Uyarısı" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Q-Chem girdi destesi önizleme bölmesindeki değişiklikleri kaybederek, " #~ "önizleme yazısını güncellemek istiyor musunuz ?" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS'ı Seç..." #~ msgid "Add Named Selection..." #~ msgstr "İsimlendirilmiş Seçim Ekle..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Seçimi" #~ msgid "SMARTS pattern to select" #~ msgstr "Seçmek için SMARTS deseni" #~ msgid "There is no current selection." #~ msgstr "Herhangi bir seçim yok." #~ msgid "Add Named Selection" #~ msgstr "İsimlendirilmiş Seçim Ekle" #~ msgid "Name cannot be empty." #~ msgstr "İsim boş olamaz." #~ msgid "There is already a selection with this name." #~ msgstr "Bu isimde bir seçim var." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seçilmiş atomlar, bağlar, kalanlar..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Gölgelendiricileri..." #~ msgid "Open a vertex shader source file" #~ msgstr "Köşe gölgelendirici (vertex shader) kaynak dosyası aç" #~ msgid "Open a shader parameters file" #~ msgstr "Gölgelendirici parametreleri dosyası aç" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Yüklediğiniz molekülün içindeki titreşim verisi herhangi bir yoğunluk " #~ "(intensity) bilgisi içermiyor. Görselleştirme için yoğunluk değerleri " #~ "rastgele atandı." #~ msgid "Y Axis" #~ msgstr "Y Ekseni" #~ msgid "Dark" #~ msgstr "Karanlık" #~ msgid "New Scheme" #~ msgstr "Yeni Şema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Şema Kaldırılmasını Onayla" #~ msgid "Really remove current scheme?" #~ msgstr "Gerçekten geçerli şemayı kaldırmak istiyor musunuz?" #~ msgid "Change Scheme Name" #~ msgstr "Şema Adını Değiştir" #~ msgid "Enter new name for current scheme:" #~ msgstr "Geçerli şema için yeni bir ad giriniz:" #~ msgid "Comma Separated Values" #~ msgstr "Virgülle Ayrılmış Değerler" #~ msgid "Unknown extension: %1" #~ msgstr "Bilinmeyen eklenti: %1" #~ msgid "Data Format" #~ msgstr "Veri Biçimi" #~ msgid "Portable Network Graphics" #~ msgstr "Taşınabilir Ağ Grafikleri" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "No vibrational displacements exist." #~ msgstr "Hiçbir titreşimsel yerdeğişimi yok." #~ msgid "Orbitals" #~ msgstr "Yörüngeler" #~ msgid "Calculating VdW Cube" #~ msgstr "VdW Cube Hesaplanıyor" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "MO %L1 Hesaplanıyor" #~ msgid "Could not run mencoder." #~ msgstr "mencoder çalıştırılamıyor" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "yüksek frekanslı titreşimler hızlı hareketi gösterir" #~ msgid "Display force &vectors" #~ msgstr "Kuvvet ve vektörleri göster" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matris Editörü" OpenChemistry-avogadrolibs-ceb949f/i18n/ug.po000066400000000000000000010037041516317240700212310ustar00rootroot00000000000000# Uyghur translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2011. # ejatjon amar <3395087980@qq.com>, 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2025-12-01 23:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Uyghur \n" "Language: ug\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.15-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "يېپىش" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "نامەلۇم" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat دا ھېچقانداق مولېكۇلا ئورنىتىلمىغان!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat دا ھۆججەت ئىسمى يوق!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "ئوكسېگىن" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "نېئون" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "خىروم" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "كوبالت" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "پاللادىي" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "كۈمۈشرەڭ" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "تۇڭىستېن" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "پلاتىنا" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "ئالتۇن" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "مېركۇرىي" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "كۆز يۈگۈرت" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "بارلىق ھۆججەتلەر" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "ماۋزۇ" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "ئاساسىي" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "كارتون" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "مەجبۇرىي" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "ئەن" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "سىرتقى يۈز" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "ماۋزۇسىز" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" msgstr[1] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" msgstr[1] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "ھۆججەت(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 #, fuzzy msgid "&Export" msgstr "چىقار" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "ياساش(&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "ئېلېمېنت:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "توغرىلا" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 #, fuzzy msgid "Axis:" msgstr "ئوقى" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "خاتالىق" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "خاتالىق" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "مۇۋەپپەقىيەتلىك!" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "رەڭ بەلگىلە…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "ئېلېمېنت" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "كۆرۈنۈش(&V)" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "ئۇسۇل:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "باشلا" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "توختا" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "تاسما" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "كارتون" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "كارتون" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "كېڭەيتمىلەر" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "قوليازمىلار" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "باشقا" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "ھېسابلا" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "تىپى" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "ئېلېمېنت ئاتى" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "ئۆچۈر" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "قۇۋۋىتى" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "سىز" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "ئارىلىق" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "يەككە" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "قوش" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "ئۈچ ھەسسە" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 #, fuzzy msgid "&Import" msgstr "ئىمپورت قىل" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "يەككە" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "يوق" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "سۇ" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "بىتەرەپ" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "قىستۇر(&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "مولېكۇلا" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 #, fuzzy msgid "Color:" msgstr "رەڭلەر:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "بىردىنبىر كىملىك" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "ئېلېمېنت" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "غۇۋالىقى:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "چۈشەندۈرۈشى يوق" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "بۇلۇڭ:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "مولېكۇلا" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "خاسلىق(&P)" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "چىقار" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "يول باشلا" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "ساقلا" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "رەڭلەر:" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "بۇلۇڭ:" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "بۇرما" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "بۇرما" #: qtplugins/propertytables/propertymodel.cpp:1201 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "ۋاراق" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "ئەسلىگە قايتۇر" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "تاللا(&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "تاللا" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "تاللانما" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "ئىنفرا قىزىل نۇر" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 #, fuzzy msgid "Energy (eV)" msgstr "قۇۋۋىتى" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "گۇرۇپپا ئاتى" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "كۆزنەك" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "مۇۋەپپەقىيەتلىك!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "تىپى" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "قوش" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "جەزملە" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "فورمات:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "قوللان" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "كۆڭۈلدىكى قىممەتلەر" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "ساقلا" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "ئاساسىي تەڭشەك(&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "ماۋزۇ:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "دىكى:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "بىللە:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ئاتى" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "باشقا" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "يەككە" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "قوش" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "چارە" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "يەككە" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "قوش" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy msgid "Peak Width:" msgstr "كەڭلىك:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "كۆرۈنۈشى(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "كۆرسەت" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Background:" msgstr "تەگلىك:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "ياپ(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "رەڭلەر:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "ئېنىقلىق دەرىجىسى:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "ئاق" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "ھېسابلا" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "مولېكۇلا" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "گۇرۇپپا ئاتى" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "گۇرۇپپا ئاتى" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:, ,Launchpad Contributions:,Avogadro Team,Gheyret " "T.Kenji,Sahran, ,Launchpad Contributions:,Avogadro Team,Gheyret " "T.Kenji,Sahran, ,Launchpad Contributions:,Avogadro Team,Gheyret " "T.Kenji,Sahran" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #, fuzzy #~ msgid "Angles:" #~ msgstr "بۇلۇڭ:" #~ msgid "Cancel" #~ msgstr "ئەمەلدىن قالدۇرۇش" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #~ msgid "..." #~ msgstr "…" #~ msgid "&Import..." #~ msgstr "ئىمپورت قىل(&I)…" #~ msgid "&Export..." #~ msgstr "ئېكسپورت قىل(&E)…" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "فورمات:" #, fuzzy #~ msgid "By Distance" #~ msgstr "ئارىلىق" #, fuzzy #~ msgid "Select Water…" #~ msgstr "ئېلېمېنت" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "مولېكۇلا" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~ msgid "In." #~ msgstr "دىكى:" #~ msgid "Other..." #~ msgstr "باشقا…" #, fuzzy #~ msgid "Filename" #~ msgstr ":ھۆججەت ئاتى" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "يول باشلا" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "يول باشلا" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "ئېلېمېنت ئاتى" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "مولېكۇلا" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "مولېكۇلا" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "ئارىلىق" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "بۇلۇڭ:" #, fuzzy #~ msgid "Yes" #~ msgstr "يىل" #, fuzzy #~ msgid "No" #~ msgstr "نېئون" #, fuzzy #~ msgid "Import" #~ msgstr "ئىمپورت قىل" #, fuzzy #~ msgid "Stopped" #~ msgstr "توختا" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "سىرتقى يۈز" #~ msgid "Axes" #~ msgstr "ئوق" #~ msgid "Polygon" #~ msgstr "كۆپ تەرەپلىك" #~ msgid "Ring" #~ msgstr "ھالقا" #~ msgid "Stick" #~ msgstr "مۇقىم" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "URL" #~ msgstr "URL" #~ msgid "Show Preview" #~ msgstr "ئالدىن كۆزىتىشنى كۆرسەت" #~ msgid ")" #~ msgstr ")" #~ msgid "Y Axis" #~ msgstr "Y ئوقى" #~ msgid "Dark" #~ msgstr "قارا" #~ msgid "New Scheme" #~ msgstr "يېڭى لايىھە" #~ msgid "Data Format" #~ msgstr "سانلىق-مەلۇمات پىچىمى" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "فورمات:" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "يوق" #~ msgid "Tools" #~ msgstr "قوراللار" #~ msgid "Align:" #~ msgstr "توغرىلاش:" #~ msgid "Everything" #~ msgstr "ھەممىسى" #~ msgid "Algorithm:" #~ msgstr "ئالگورىزىم:" #~ msgid "Symbol" #~ msgstr "بەلگە" #~ msgid "Shape" #~ msgstr "شەكىل" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "دەۋرىي" #~ msgid "Radius:" #~ msgstr "رادىئۇس:" #~ msgid "Fill" #~ msgstr "تولدۇر" #~ msgid "Points" #~ msgstr "نۇقتا" #~ msgid "Positive" #~ msgstr "مۇسبەت" #~ msgid "Negative" #~ msgstr "مەنپىي" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "دەۋرىي" #~ msgid "Load" #~ msgstr "يۈك" #~ msgid "All" #~ msgstr "ھەممىسى" #~ msgid "Algorithm" #~ msgstr "ئالگورىزىم" #~ msgid "L" #~ msgstr "L" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Advanced" #~ msgstr "ئالىي" #~ msgid "Grid" #~ msgstr "سېتكا" #~ msgid "Path:" #~ msgstr "يول:" #~ msgid "System" #~ msgstr "سىستېما" #~ msgid "Misc" #~ msgstr "ئارىلاش" #~ msgid "Read" #~ msgstr "ئوقۇ" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "Default" #~ msgstr "كۆڭۈلدىكى" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "Check" #~ msgstr "تەكشۈر" #~ msgid "Debug" #~ msgstr "سازلا" #~ msgid "C1" #~ msgstr "C1" #~ msgid "O" #~ msgstr "O" #~ msgid "Minutes" #~ msgstr "مىنۇت" #~ msgid "Hours" #~ msgstr "سائەت" #~ msgid "Days" #~ msgstr "كۈن" #~ msgid "Weeks" #~ msgstr "ھەپتە" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "دەۋرىي" #~ msgid "Skip" #~ msgstr "ئۆتكۈزۈۋەت" #~ msgid "Numeric" #~ msgstr "سان" #~ msgid "Standard" #~ msgstr "ئۆلچەملىك" #~ msgid "New..." #~ msgstr "يېڭى…" #~ msgid "&Width:" #~ msgstr "كەڭلىك(&W):" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "دىيۇيم" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "تۆۋەن" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "ئوتتۇراھال" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "يۇقىرى" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "ناھايىتى يۇقىرى" #~ msgid "Advanced..." #~ msgstr "ئالىي…" OpenChemistry-avogadrolibs-ceb949f/i18n/uk.po000066400000000000000000016506201516317240700212420ustar00rootroot00000000000000# Ukrainian translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # Yuri Chornoivan , 2010. # Yuri Chornoivan , 2010, 2011, 2012. # Tymofij Lytvynenko , 2021. # Artem , 2022. # Yarema Kertytsky , 2024. # Eisuke Kawashima , 2024, 2025, 2026. # Максим Горпиніч , 2024. # LibreTranslate , 2024, 2025. # Weblate Translation Memory , 2024, 2025. # Максим Горпиніч , 2025. # Максим Горпиніч , 2025. # Максим Горпиніч , 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Ukrainian \n" "Language: uk\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Пакетне завдання #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Повідомлення не вказано." #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "вихід сценарію --print-options має бути об’єктом JSON верхнього рівня. " "Отримано:\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "Повернуто нерядкове попередження." #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "член 'warnings' не є масивом." #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Довідковий файл \"%1\" не існує." #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "Помилка заповнення файлу %1: %2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Файл \"%1\" неправильно сформований. Відсутній елемент рядка 'contents' або " "'filePath'." #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Неправильно сформований запис файлу: ім’я файлу/вміст відсутні або відсутні " "рядки:\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Неправильний запис файлу з індексом %1: це не об’єкт." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "член 'files' не є масивом." #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "член 'files' відсутній." #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Член 'mainFile' не посилається на запис у 'files'." #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "Член 'mainFile' має бути рядком." #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "Відповідь має бути об’єктом JSON верхнього рівня." #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Вивід сценарію:\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Помилка аналізу зі зміщенням %L1: \"%2\"\n" "Необроблений JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Помилка збереження представлення молекули в рядку: нерозпізнаний формат " "файлу: %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Помилка збереження представлення молекули в рядку: %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Помилка створення об’єкта cjson: помилка аналізу зі зміщенням %1: %2\n" "Необроблений JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Об’єкт cjson генератора помилок: аналізований JSON не є об’єктом:\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "Генератор вхідних даних (помилка)" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 Генератор вхідних даних" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Продовжити" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Закрити" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Невідомий" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Наступні файл були змінені:\n" "\n" "%1\n" "\n" "Чи бажаєте ви перезаписати свої зміни, щоб відобразити нову геометрію чи " "параметри роботи?" msgstr[1] "" "Наступні файли були змінені:\n" "\n" "%1\n" "\n" "Чи бажаєте ви перезаписати свої зміни, щоб відобразити нову геометрію чи " "параметри роботи?" msgstr[2] "" "Наступні файлів були змінені:\n" "\n" "%1\n" "\n" "Чи бажаєте ви перезаписати свої зміни, щоб відобразити нову геометрію чи " "параметри роботи?" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Перезаписати змінені вхідні файли?" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "Під час створення вхідних даних виникли проблеми:" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "Немає вхідних файлів для збереження!" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "Не вдається підключитися до MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Неможливо підключитися до сервера MoleQueue. Переконайтеся, що він працює, і " "повторіть спробу." #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "Надіслати обчислення %1" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "Робота не виконана" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "Робота не виконана успішно." #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "Сценарій повертає попередження:\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "Сховати &попередження" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "Показати &попередження" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "Сталася помилка:" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "Виберіть назву вихідного файлу" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Внутрішня помилка: не вдалося знайти текстовий віджет для імені файлу \"%1\"" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Помилка виведення" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Не вдалося записати файл %1." #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Виберіть вихідний каталог" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Каталог не існує!" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Каталог не читається!" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Файл буде перезаписано." #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Файл не доступний для запису." #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Вхідні файли неможливо записати через невідому помилку." #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Вхідні файли не можна записати:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Вхідні файли не можна записати:\n" "\n" "%1\n" "\n" "Попередження:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "УВАГА:\n" "\n" "%1\n" "\n" "Бажаєте продовжити?" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Записати вхідні файли" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "Налаштувати завдання" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Надсилання завдання до MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Тайм-аут подання завдання" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Авогадро вичерпав час очікування відповіді від MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Очікування завершення завдання %1 «%2»…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "Припиніть чекати" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "Отримання інформації про виконану роботу…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "Час очікування отримання завдання" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Авогадро вичерпав час очікування на деталі завершеної роботи від MoleQueue." #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "Помилка надсилання завдання" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Завдання відхилено MoleQueue: %1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Програма не вибрана." #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Будь ласка, виберіть цільову програму зі списку «Черга та програма»." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Клієнту не вдалося надіслати завдання до MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Внутрішня помилка." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Неможливо вирішити вибір програми. Це помилка." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "У BackgroundFileFormat немає молекули!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Не встановлено Io :: FileFormat у BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Назви файлу не встановлено у BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "Розділ по горизонталі" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "Спліт по вертикалі" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Гідроген" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Гелій" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Літій" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Берилій" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Бор'" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Карбон" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Нітроген" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Оксиген" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Флуор" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Неон" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Натрій" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Магній" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Алюміній" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Силіцій" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Фосфор" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Сульфур" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Хлор" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Аргон" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Калій" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Кальцій" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Скандій" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Титан" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Ванадій" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Хром" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Манган" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Ферум" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Кобальт" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Нікол" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Купрум" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Цинк" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Галій" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Германій" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Арсен" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Селен" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Бром" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Криптон" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Рубідій" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Стронцій" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Ітрій" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Цирконій" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Ніобій" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Молібден" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Технецій" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Рутеній" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Родій" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Паладій" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Аргентум" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Кадмій" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Індій" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Станум" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "Сурма" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Телур" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Йод" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Ксенон" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Цезій" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Барій" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Лантан" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Церій" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Празеодим" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Неодим" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Прометій" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Самарій" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Європій" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Гадоліній" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Тербій" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Диспрозій" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Гольмій" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Ербій" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Тулій" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ітербій" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Лютецій" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Гафній" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Тантал" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Вольфрам" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Реній" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Осмій" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Іридій" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Платина" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Аурум" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Меркурій" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Талій" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Плюмбум" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Бісмут" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Полоній" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Астат" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Радон" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Францій" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Радій" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Актиній" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Торій" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Протактиній" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Уран" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Нептуній" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Плутоній" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Америцій" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Кюрій" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Берклій" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Каліфорній" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Ейнштейній" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Фермій" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Менделєвій" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Нобелій" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Лоуренсій" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Резерфордій" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Дубній" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Сіборгій" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Борій" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Гасій" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Майтнерій" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Дармштадтій" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Рентгеній" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Коперніцій" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "Ніхоній" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "Флеровій" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "Московій" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "Ліверморій" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "Теннессин" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "Оганесон" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "переглядати" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "Виберіть файл:" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "Виберіть виконуваний файл:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Неможливо знайти відповідний засіб читання файлів для вибраного файлу." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Розширення файлу відсутнє, тому формат неможливо визначити. Хочете додати?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Не вдається знайти відповідний записувач файлів для вибраного формату." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "обробники" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "ручка" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "читачі" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "читати" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "письменники" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "писати" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Знайдено кілька %1, які можуть %2 цей формат. Який слід використовувати?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Всі файли" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Усі підтримувані формати" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Помилка читання представлення молекули: Нерозпізнаний формат файлу: %1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 повідомлення" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Помилка запису представлення молекули в рядок: нерозпізнаний формат файлу: %1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Помилка запису представлення молекули в рядок: %1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "Відсутній 'userOptions'." #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "Не вдалося знайти параметр \"%1\"." #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' не є рядком для параметра '%1'." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Назва" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "База імен файлів" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "Ядра процесора" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "Пам'ять" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "Тип розрахунку" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "Теорія" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Основа" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "Заряд" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "Кратність" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "Розчинник" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "Модель" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "Ім'я користувача" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "Пароль" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Нерозпізнаний тип опції \"%1\" для опції \"%2\"." #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Помилка налаштування параметра \"%1\" за умовчанням. Поганий тип віджета." #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Помилка налаштування параметра \"%1\" за умовчанням. Неправильне значення за " "умовчанням:" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Помилка налаштування параметра \"%1\" за умовчанням. Не вдалося знайти " "дійсний індекс комбінованого запису зі значення:" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Необроблений віджет у collectOptions для опції «%1»." #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[жодної молекули]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "Шар %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Кульки і стрижні" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Мультфільми" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Закрити Контакти" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Кристалічна решітка" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Сила" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "Мітки" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Солодка" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Поверхні" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Нековалентний" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Елементи симетрії" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Ван-дер-Ваальса" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Ван-дер-Ваальса" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Каркас" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "Опорні осі" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Без назви" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "Редагувати молекулу" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "Не збережено" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "Створіть новий перегляд" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Періодична таблиця" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Помилка під час виконання сценарію \"%1 %2\": минув час очікування запуску " "(%3)." #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Помилка під час виконання сценарію \"%1 %2\": не вдалося записати в " "стандартний вхід (len=%3, записав %4 байти, помилка QProcess: %5)." #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Помилка виконання сценарію \"%1 %2\": минув час очікування завершення (%3)." #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Помилка виконання сценарію \"%1 %2\": ненормальний статус виходу %3 (%4: " "%5)\n" "\n" "Вихід:\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "УВАГА '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "Не вдалося запустити сценарій." #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "Збій сценарію." #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "Сценарій минув." #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "Помилка читання." #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "Помилка запису." #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "Невідома помилка." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Змінити шари" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Видалити шар" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Видалити інформацію про шар" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Додати шар" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Додати інформацію про шар" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "Змінити шар" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Додати атом" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Вилучити атом" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "Очистити атоми" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Вирівняти атоми водню" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Зміна елементів" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Змінити елемент" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "Гібридизація змінного атома" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "Змінити офіційне звинувачення Atom" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "Змінити колір атома" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "Змінити шар Atom" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Додати зв’язок" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "Видалено Бонда" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "Очистити облігації" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "Встановіть замовлення на облігації" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Змінити порядок зв’язку" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "Оновити облігації" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "Оновити Бонд" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "Додати елементарну комірку…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "Вилучити елементарну комірку" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "Редагувати елементарну комірку" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "Оберніть атоми в клітинку" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "Масштаб об'єму комірки" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "Створіть Super Cell" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Скорочення Niggli" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "Обернути до стандартної орієнтації" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "Зменшити до примітиву" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "Консультація Клітка" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "Симетризуйте клітинку" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "Заповнити елементарну комірку" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "Зменшити клітинку до асиметричної одиниці" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "Зміна позицій атомів" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "Змінити положення атома" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "Змінити мітку Atom" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "Змінити етикетку облігацій" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "Змінити вибір" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Змінити молекулу" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "Налаштування" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "Обчислення…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "Залишилося менше секунди" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "Залишилося %n секунда" msgstr[1] "Залишилося %n секунди" msgstr[2] "Залишилося %n секунд" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "Залишилося %n хвилина" msgstr[1] "Залишилося %n хвилини" msgstr[2] "Залишилося %n хвилин" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "Залишилося 1 година, %n хвилина" msgstr[1] "Залишилося 1 година, %n хвилини" msgstr[2] "Залишилося 1 година, %n хвилин" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "Залишилося %n година" msgstr[1] "Залишилося %n години" msgstr[2] "Залишилося %n годин" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "HTML-блок 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Файл" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Експорт" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ТриDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Змінити елементи…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Збирання" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Елемент:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Алхімія" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Зміна елементів атомів." #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Вирівняти" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "Вирівнювання молекул\n" "\n" "Ліва кнопка миші: Вибрати до двох атомів.\n" "Перший атом центрується в початку координат.\n" "Другий атом вирівнюється по вибраній осі.\n" "Права кнопка миші: Скинути вирівнювання.\n" "Подвійне клацання: Центрувати атом у початку координат." #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Вісь:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Вирівняти за початком" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "Вирівняти по осі" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "Центруйте атом у початку координат." #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Обертайте молекулу, щоб вирівняти атом відносно вказаної осі." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Інструмент вирівнювання" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Вирівнювання молекул за декартовими вісями" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "бігти APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Відкрити вихідний файл…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "&Введення" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "Відкрийте вихідний файл" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Файл OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO Помилка" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "Помилка читання файлу структури (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "Помилка OpenDX" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Помилка читання файлу OpenDX: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "Помилка читання файлу OpenDX: куб не знайдено" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Взаємодія з утилітами APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Відкрийте файл PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Файли (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Відкрийте файл PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Файли PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Помилка" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Помилка запуску APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Будь ласка, вкажіть файл PDB" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "Успіх" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "Згенеровано %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "Помилка запуску PDB2PQR" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Збережіть вхідний файл APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Введення (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Вхідний файл, записаний у \"%1\"" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "Не вдається зберегти файл %1." #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "За індивідуальним кольором…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "За атомним індексом…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "За відстанню…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "За елементом" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "По ланцюжку" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "За часткову оплату…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "За вторинною структурою" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "За допомогою амінокислоти" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "За фігурною схемою" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Парула" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Тепло" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Гаряче" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Сірий" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Магма" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Пекло" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Плазма" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Зелений" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Спектральний" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Прохолодний" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Баланс" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Синьо-темно-червоний" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Турбо" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "Застосуйте кольорові схеми до атомів і залишків." #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Переглянути" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "Кольорові атоми" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "Залишки кольору" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "Виберіть Colormap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "Кольорова карта:" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Нанесіть кольори" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "Автоматична оптимізація" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Інструмент автоматичної оптимізації (%1)\n" "\n" "Функції навігації при натисканні на порожнє місце.\n" "Ліва кнопка миші: Повернути простір\n" "Середня кнопка миші: Збільшити простір\n" "Права кнопка миші: Перемістити простір\n" "Подвійне натискання: Скинути вигляд\n" "\n" "Під час роботи:\n" "Ліва кнопка миші: Натисніть і перетягніть атоми, щоб перемістити їх.\n" "Права кнопка миші: Натисніть і перетягніть, щоб повернути атоми." #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Оптимізація" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Метод:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "Температура:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "Крок часу:" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Почати" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Зупинити" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "Оптимізації геометрії" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "Молекулярна динаміка" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "Інструмент автоматичної оптимізації" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "Інтерактивна оптимізація молекулярної геометрії" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Масштаб атома" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Шкала зв'язку" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "Непрозорість" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Показати кілька зв’язків" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Покажіть гідрогени" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Зробіть атоми кулями, а зв’язки циліндрами." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Бонд-центрична маніпуляція" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Інструмент маніпуляції центрами зв'язку (%1)\n" "\n" "Ліва кнопка миші:\t\t Натисніть і перетягніть, щоб повернути вигляд.\n" "Середня кнопка миші: \tНатисніть і перетягніть, щоб збільшити або зменшити " "масштаб.\n" "Права кнопка миші:\tНатисніть і перетягніть, щоб перемістити вигляд.\n" "Подвійне клацання: \tСкинути вигляд.\n" "\n" "Натисніть лівою кнопкою миші та перетягніть на зв'язку, щоб встановити " "площину маніпуляції.\n" "Натисніть лівою кнопкою миші та перетягніть один з атомів у зв'язку, щоб " "змінити кут.\n" "Натисніть правою кнопкою миші та перетягніть один з атомів у зв'язку, щоб " "змінити довжину" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Центральний маніпуляційний інструмент Bond." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Інструмент, який використовується для редагування молекулярної геометрії " "шляхом зміни довжин зв’язків і кутів." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Атоми зв'язку" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Сприймати Бонд-замовлення" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Видалити облігації" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Налаштувати приєднання…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "З’єднайте вибрані атоми" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "Зв’язок" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "Видаліть зв’язки з усіх або вибраних атомів." #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "Створення зв’язків між усіма або вибраними атомами." #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "Сприймати зобов'язання." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Склеювання" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Виконайте операції склеювання." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "хребет" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Слід" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Трубка" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Стрічка" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Простий мультфільм" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Мультфільм" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Мотузка" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Відображення стрічок біомолекул / мультфільмів." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Додати Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Додати центр мас" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Додайте перпендикуляр" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "центроїд" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Додайте центроїди та центр мас." #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "Максимальна відстань:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Ширина лінії:" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "Контакт" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "Соляний міст" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "Відразливий" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Візуалізація тісних контактів між атомами." #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Розширення" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "Сценарії" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Помилка читання вихідного файлу \"%1\":\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "Обробка %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "Встановити шлях до інтерпретатора Python:" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Виберіть інтерпретатор Python для запуску зовнішніх сценаріїв.\n" "Avogadro потрібно перезапустити, щоб зміни вступили в силу." #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "Командні скрипти" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "Виконайте команди зовнішнього сценарію" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Налаштування Python…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "Встановіть Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python використовується для багатьох функцій Avogadro. Бажаєте завантажити " "Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Налаштувати Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Налаштувати середовища Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "інше…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "Обмеження…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "&Обчислити" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "Обмеження" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "Встановлення обмежень для оптимізації геометрії" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "Відстань" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "Кут" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "Кут кручення" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "Заморозити атом" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "Зафіксувати вісь X" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "Зафіксувати вісь Y" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "Зафіксувати вісь Z" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Тип" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "Значення" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "Атом 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "Атом 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "Атом 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "Атом 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Редактор атомних &координат…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Редактор координат" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Текстове редагування атомних координат." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Перезаписати зміни?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Текстовий документ змінено. Бажаєте скасувати зміни та повернутися до " "поточної молекули?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Замало записів у рядку." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Недійсна назва елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Назва елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Недійсний символ елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Символ елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Недійсна мітка атома." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Недійсний атомний індекс." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Атомний індекс." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Недійсний атомний номер." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Атомний номер." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Неправильна координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' координатна решітка." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' координатна решітка." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' координатна решітка." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Помилка застосування геометрії" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Не вдалося проаналізувати специфікацію геометрії. Виправте виділені помилки " "та повторіть спробу.\n" "\n" "(Підказка: утримуйте курсор миші над червоним текстом, щоб побачити опис " "помилки.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Редагувати атомні координати" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "Нетипова" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ формат (символи)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ формат (імена)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Формат XYZ (атомні номери)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Координати решітки (символи)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Координати решітки (імена)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Координати решітки (атомні номери)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Формат GAMESS (символи)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Формат GAMESS (імена)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Турбомольний формат" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Копіювати" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "Вирізати" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Вилучити" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "&Вставити" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "In ChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "&Редагувати" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "Копіювати як" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "Помилка відсікання молекули" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "Помилка створення даних буфера обміну." #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Формат виведення: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Помилка читача:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "Помилка вставлення молекули" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Не вдається вставити молекулу: буфер обміну порожній!" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "Помилка читання даних буфера обміну." #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Виявлений формат: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Скопіюйте та вставте" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Взаємодія з буфером обміну." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Вхід CP2K" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "Створити вхідні дані для CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Енергія" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "Енергія і Сили" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "Оптимізація геометрії" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "Методи електронної структури (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "Молекулярна механіка" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Гібридний квантовий класичний (ще не підтримується)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "НЕМАЄ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "АТОМНА" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "ЩІЛЬНОСТІ" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "ВИПАДКОВО" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "ПЕРЕЗАПУСК" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "РІДКИЙ" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "БРОЙДЕН" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "Спряжені градієнти" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "Найкрутіший спуск" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Вхідний файл було змінено. Чи бажаєте ви перезаписати свої зміни, щоб " "відобразити нову геометрію чи параметри роботи?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "Перезаписати змінений вхідний файл?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "Збережіть вхідний файл CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "Надішліть розрахунок CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Імпортувати кристал із буфера обміну…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Перемкнути елемент елемента" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Редагувати елементарну комірку…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Оберніть атоми в елементарну комірку" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Повернути до стандартної &орієнтації" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Масштаб &обсягу комірки…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Створити &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Звести комірку (за &Нігглі)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "&Кристал" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Вилучити &елементарну комірку" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Додати &елементарну комірку" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "Імпорт Crystal з буфера обміну" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "Загорніть атоми в елементарну комірку." #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "Поверніть елементарну комірку до стандартної орієнтації." #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Зменшити кристал Ніглі" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "Елементарна комірка вже зменшена." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Кристал" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Інструменти для спеціального редагування/аналізу кристала." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Кольорові осі:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Колір лінії:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Візуалізуйте межі елементарної комірки." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Не вдалося обробити текст" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Не вдалося прочитати дані у наданому форматі." #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "Немає елементарної комірки." #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "Редактор елементарної комірки" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "Ігнорування матриці сингулярних комірок" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "Ігнорування дробової матриці сингулярних клітин" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Перепризначити &спеціальні елементи…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "Маніпулювати користувацькими типами елементів у поточній молекулі." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Спеціальні елементи" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Дипольний момент" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Відобразіть дипольний момент молекули." #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Малювати" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "Інструмент малювання (%1)\n" "\n" "Ліва кнопка миші: Клацніть та перетягніть, щоб створити атоми та зв'язки\n" "Права кнопка миші: Видалити атом" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Намалювати атом" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "Змінити тип облігації" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "Видалити Бонда" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Відстань:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Інструмент редактора" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "Автоматично" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Одинарний" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Подвійний" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Потрійний" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Імпорт" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Отримати PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Не вдалося прочитати молекулу PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Код" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Хімічна структура для звантаження." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Недійсний код PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Код PDB має містити рівно 4 символи." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Перший символ коду PDB має бути 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "Запит на %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Завантаження через мережу не вдалось" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Перевищено час очікування на відповідь або інша помилка." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Не вдалося знайти вказану молекулу: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Отримати з PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Завантажте моделі PDB з банку даних Protein" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "Вибір фокусу" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "Розфокусувати" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Фокус" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Зосередьте погляд на конкретних функціях." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Візуалізуйте силове поле для атомів молекули." #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "Сили" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Налаштувати…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Заморозити вибрані атоми" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "Заморозити X" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "Заморозити Y" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "Заморозити Z" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "Розморозити вибрані атоми" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "Злиття вибраних атомів" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "Роз'єднання вибраних атомів" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "Немає атомів для оптимізації" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Енергія: %L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Енергія = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Норма сили = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "Оптимізація силового поля" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "Мінімізація силового поля, включаючи скрипти" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Автовизначення (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "Універсальне силове поле" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "Узагальнене силове поле Амбра" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Молекулярне силове поле Merck 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&ІГРИ…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Вхід GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Згенеруйте вхідні дані для GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "Єдина точка" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Рівноважна геометрія" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "Перехідний стан" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "Частоти" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Створити ЕПФ" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Псевдопотенціал" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Немає" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "Газ" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "Рідина" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Синглет" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Дуплет" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Триплет" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Дикатіон" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "Катіон" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "Нейтральна" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "Аніон" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Діаніон" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "Збережіть вхідний файл GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "Надішліть розрахунок GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Відрегулюйте водень" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Додати атоми водню" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Вилучіть зайвий водень" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Видалити всі водні" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "Додати/видалити атоми водню з поточної молекули." #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "&Гідрогени" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Водневі атоми" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Пошук PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Імпортувати з PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Завантажте молекулу з PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "Вставити" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Вставте ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "У" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "Урацил" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "Т" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "Тимін" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "Вставити молекулу…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "Створення 3D-молекули…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Вставте ДНК" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Вставте фрагменти ДНК/РНК через діалогове вікно." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "молекула…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Кристал…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "Помилка читання файлу (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "Імпорт кристала" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Вставити фрагмент" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Вставити Фрагмент" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Вставте молекулярні фрагменти для створення більших молекул." #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "Пептид…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "Вставити пептид" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "ВставитиПептид" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "Вставте олігопептидні послідовності." #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Колір:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "Відстань від центру:" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "Індекс" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "Унікальний ідентифікатор" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Елемент" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "Елемент і число" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "Елемент і ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Часткова зарядка" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "Мітка Atom:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "Довжина" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "Мітка облігації:" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "Ім'я" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "Ім'я та ідентифікатор" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "Мітка залишків:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Відображення міток на стилі м’яча та ключки." #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "Редагувати мітки" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "Інструмент «Мітки атомів»\n" "\n" "Ліва кнопка миші: Натисніть на атоми, щоб додати власні мітки" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "Створити етикетку" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Інструмент для редагування міток" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&ЛАМПИ…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Вхід ЛАМПИ" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Створити вхідні дані для LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, внесених " "за допомогою панелі попереднього перегляду вхідних даних Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Непрозорість:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Візуалізуйте атоми як солодку/палички." #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "In ChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "Не знайдено дескрипторів!" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "Не знайдено зчитувачів рядкового формату!" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "Неможливо завантажити запитаний зчитувач формату." #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "Координати не знайдено!" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "Не вдається згенерувати 3D-координати." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Вхідний формат рядка" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Завантажте однорядкові дескриптори молекул через діалогове вікно введення." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Керування" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "Інструмент маніпулювання (%1)\n" "\n" "Ліва кнопка миші: Натисніть і перетягніть, щоб перемістити атоми\n" "Права кнопка миші: Натисніть і перетягніть, щоб повернути атоми." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Інструмент маніпуляції" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Вимірювання" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "Інструмент вимірювання (%1)\n" "\n" "Ліва кнопка миші: Виберіть до чотирьох атомів.\n" "Відстані вимірюються між 1-2 та 2-3\n" "Кут вимірюється між 1-3, використовуючи 2 як спільну точку\n" "Двогранник вимірюється між 1-2-3-4\n" "Права кнопка миші: Скинути вимірювання." #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Двограний кут:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Кут:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Інструмент для вимірювання" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "(очікується)" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "Власність" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "Назва молекули" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "Молекулярна маса (г/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "Моноізотопна Маса (г/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "Хімічна формула" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "Кількість атомів" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "Кількість облігацій" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "Множини координат" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "Кількість залишків" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "Кількість ланцюгів" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "Чиста плата" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "Кратність чистого обертання" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "Дипольний момент (Дебая)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Енергія HOMO (еВ)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Енергія LUMO (еВ)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Енергія SOMO (еВ)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Загальна енергія (Хартрі)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Енергія нульової точки (ккал/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "Ентальпія (ккал/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "Ентропія (ккал/моль•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Вільна енергія Гіббса (ккал/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "Група точок" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "&Молекулярний…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "Перегляньте загальні властивості молекули." #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "&Аналіз" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Властивості" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Молекулярні властивості" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Властивості молекули" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "Експорт CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Файли CSV (*.csv);;Усі файли (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "Не вдалося відкрити файл для запису." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "Помилка запису у файл." #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "Експорт…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Навігація" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "Інструмент навігації (%1)\n" "\n" "Ліва кнопка миші: Натисніть і перетягніть, щоб повернути зображення.\n" "Середня кнопка миші: Натисніть і перетягніть, щоб збільшити або зменшити " "масштаб.\n" "Права кнопка миші: Натисніть і перетягніть, щоб перемістити зображення." #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "Обертайте сцену вздовж осей x, y або z." #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "Збільште масштаб сцени." #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "Перекладіть сцену." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "Зворотний напрямок масштабування під час прокручування" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "За замовчуванням: Прокрутіть униз, щоб зменшити, прокрутіть угору, щоб " "збільшити\n" "Зворотне: Прокрутіть угору, щоб зменшити, прокрутіть униз, щоб збільшити" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Знаряддя навігації" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Назва речовини" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Мережеві бази даних" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Взаємодія з онлайн-базами даних, структурами запитів тощо." #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "Допуск кута:" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "Галогенні" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "Халькоген" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Візуалізуйте кілька нековалентних взаємодій." #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "Налаштувати Force Field…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "Конформер Пошук…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "Сприймати облігації" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "Додайте водень для pH…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "Видалити водень" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 не знайдено! Вимкнення дій плагіна Open Babel." #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Відкрийте Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Формати файлів Open Babel не готові до додавання." #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "Завантаження молекули з Open Babel…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Сталася внутрішня помилка: OpenBabel::readMolecule викликається, але вихід " "obabel недоступний для аналізу!" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Сталася помилка під час запуску Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "Помилка аналізу вихідних даних openbabel." #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Під час отримання списку підтримуваних силових полів сталася помилка. (з " "використанням «%1»)." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Молекула недійсна. Не вдається оптимізувати геометрію." #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "Неможливо оптимізувати геометрію за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "Оптимізація геометрії (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "Генерація…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Сталася внутрішня помилка під час створення представлення Open Babel для " "поточної молекули." #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Запуск %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Крок %1 з %2\n" "Поточна енергія: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "Оновлення молекули…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "Помилка інтерпретації вихідних даних Open Babel." #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Кількість атомів у виході obabel (%1) не відповідає кількості атомів у " "вихідній молекулі (%2)." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "Молекула недійсна. Неможливо створити конформери." #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "Неможливо створити конформери за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "Створення конформерів (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "Генерувати конформери" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "Не вдається відкрити файл за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Недійсна молекула: не сприймає зв’язки." #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "Сприйняття зв'язків (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "Створення представлення XYZ…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "Помилка генерації рядка XYZ." #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Перетворення XYZ на Open Babel за допомогою %1…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "Оновлення молекули з Open Babel…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "Неможливо додати водень за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "Додавання атомів водню (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "Створення вхідних даних Open Babel…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "Помилка створення вхідних даних Open Babel." #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "Біг %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "Додайте водень для pH" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "Генерація введення obabel…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "Неможливо видалити водень за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "Видалення водню (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "Помилка створення даних Open Babel." #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "Читання результату obabel…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel вже працює. Дочекайтеся завершення іншої операції та повторіть " "спробу." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "Відкрийте Babel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Взаємодія з утилітами OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&Сценарій OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Вхід OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Згенерувати вхідні дані для OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Хочете оновити текст попереднього перегляду, втративши всі зміни, зроблені " "на панелі попереднього перегляду колоди вводу OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpc rd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "Gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "PDB" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prm top" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "зверху" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "Візуалізуйте опорні осі в кутку дисплея." #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Завантаження %1 до %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Стан" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "Версія" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "Опис" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Засіб створення вхідних даних" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "ПОМИЛКА: не вдалося відкрити zip-файл для перегляду вмісту.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "ПОМИЛКА: не вдалося відкрити zip-файл для розпакування файлів.\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "Попередження: (%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "гравець" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "Інструмент анімації (%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "Кадр:" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "Початок:" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "Кінець:" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "Динамічне склеювання?" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "Частота кадрів:" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "Грати" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "Запис…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Призупинити" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "Фільм (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "Експорт растрової графіки" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Фільм (*.mp4);;Фільм (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "GIF i(*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "Попередження про підтримку GIF FPS" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "Формат файлу GIF не підтримує частоту кадрів понад 100 FPS." #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "Фільм (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "Помилка: неможливо додати кадр до відео." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Інструмент гравця" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Відтворення траєкторій" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "Дані конформера графіка…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "Аналіз конформера" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "Тип сюжету:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "СКВ" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "Швидкості" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "Одиниці вимірювання енергії:" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "до" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "Відносна енергія (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "Сили (Н)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "Швидкості (м/с)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "ДілянкаКонформер" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" "Згенеруйте та побудуйте графік даних конформера (середньоквадратичне " "відхилення або енергія)." #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "Ділянка функції розподілу пар…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "Не вдалося створити шаблон PDF" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "Повідомлення про помилку: " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "Plot Pdf" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Згенеруйте та побудуйте графік функції парного розподілу." #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "Побудуйте теоретичну рентгенограму…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "Не вдалося створити рентгенограму XRD" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "Не вдалося перетворити молекулу у формат CIF." #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Дані, зчитані з genXrdPattern, виявляються пошкодженими!" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "Помилка: не вдалося знайти виконуваний файл genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "Помилка: " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "Plot Xrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Створіть і побудуйте теоретичну модель XRD за допомогою ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "Оновлення" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "Помилка завантаження даних плагіна." #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "Помилка аналізу даних плагіна." #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Цей плагін вимагає встановлення певних пакетів.\n" "Ви хочете їх встановити?" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "Завжди" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "Ніколи" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Не вдалося завантажити з %1: код стану %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Видобування %1 до %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "Завершено %1 файлів\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "Видобуток успішний\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "Помилка під час видобування: %1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "Встановлення скасовано\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "Завантажити плагіни…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Завантажити плагіни" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Завантажте плагіни зі сховищ GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Рендер…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "Зберегти файл" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Текстовий файл (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Відтворіть сцену за допомогою PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Рендер…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Текстовий файл (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POV Ray" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Візуалізуйте сцену за допомогою POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Валентність" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "Офіційне звинувачення" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Часткова зарядка" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "Мітка" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "Ізотоп" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "Колір" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Початковий атом" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "Кінцевий атом" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "Порядок облігацій" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Довжина (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "Ланцюг" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "Вторинна структура" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "Гетероген" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Вершина" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "Кут (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "Енергія (ккал/моль)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "Налаштувати фрагмент" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π Спіраль" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Вигин" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α Спіраль" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β Аркуш" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 спіраль" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β Міст" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Поворот" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Котушка" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Властивості атома…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Властивості облігацій…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Властивості кута…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Властивості кручення…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Властивості залишків…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Властивості конформера…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "" "Таблиці для відображення та редагування властивостей атомів, зв'язків, кутів " "та кручення." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Таблиці властивостей" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Властивості атомів" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Властивості зв’язків" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Властивості кутів" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Властивості обертання" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Властивості конформерів" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "Властивості залишку" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "Заморозити атом" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "Заморозити X" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "Заморозити Y" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "Заморозити Z" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "Розморозити атом" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "Обмежити облігацію" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "Обмежити кут" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "Обмежити кручення" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "Вилучити обмеження" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "Не вдається прочитати файл %1." #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "Не вдалося створити тимчасовий файл." #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Показ елементі на основі властивостей QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Молекулярний графік…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Молекулярний графік з одинокими парами…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Атомний заряд…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "Відкриття файла WFN" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Файли WFN (*.wfn);;Всі файли (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Розширення QTAIM" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "Квантовий вхід" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "Створення вхідних даних для квантових кодів." #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "Центр" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "Вирівняти вид за осями" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "Вирівняти вигляд по осях." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Скинути перегляд" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Керуйте камерою огляду." #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "Моделі оплати сценаріїв" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "Завантажувати електростатичні моделі із зовнішніх скриптів." #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "Формати файлів сценаріїв" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "Завантажте програму читання/запису файлів із зовнішніх сценаріїв." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Виберіть усі" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Виберіть Немає" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Інвертувати виділення" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Виберіть за елементом…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Виберіть за атомним індексом…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Виберіть за залишком…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Виберіть базові атоми…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Виберіть Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Виберіть Вода" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Збільшити вибір" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Стиснути виділення" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Створіть новий шар із виділення" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Змінити Вибір" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Поз&начення" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Виберіть елемент" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Виберіть Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Виберіть Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Виберіть атоми за індексом" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Атоми для вибору:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Виберіть Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Виберіть атоми за залишком" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Залишки для вибору:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Виберіть Залишок" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "Виберіть" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Позначене" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "Інструмент виділення (%1)\n" "\n" "Ліва кнопка миші: Клацніть, щоб вибрати окремі атоми, залишки або фрагменти\n" "Перетягніть, щоб вибрати діапазон атомів\n" "Права кнопка миші: Клацніть поза молекулою, щоб очистити виділення\n" "Використовуйте Ctrl, щоб перемикати виділення, та Shift, щоб додати до " "виділення.\n" "Подвійне клацання: Виберіть весь фрагмент." #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "Атоми фарби" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Інструмент виділення" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Новий шар" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "Сприйняти Космічну Групу…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "Симетризувати" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "Спростити до асиметричного модуля" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "Установити допуск…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "Заповнити елементну комірку…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "Космічна група" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Заповніть симетричні атоми на основі кристалічної просторової групи." #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "Сприймайте Космічну Групу" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Групу простору вже встановлено на: %1.\n" "Ви бажаєте перезаписати його?" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "Провал" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Помилка сприйняття космічної групи.\n" "Бажаєте спробувати знову з іншим допуском?" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "Примітивне скорочення" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Наразі встановлено значення допуску: %1.\n" "Продовжувати цей допуск?" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Примітивне скорочення не вдалося.\n" "Будь ласка, перевірте свій кристал і повторіть спробу з іншим допуском." #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Не вдалося стандартизувати комірку.\n" "Будь ласка, перевірте свій кристал і повторіть спробу з іншим допуском." #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Помилка симетризації.\n" "Будь ласка, перевірте свій кристал і повторіть спробу з іншим допуском." #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Авогадро2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "Виберіть допуск в Å:" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "Міжнародні" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Голл" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "Германн-Моген" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "Виберіть Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Космічна Група" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "Особливості просторової групи для кристалів." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Ділянка спектрів…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "Спектри" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "Відображення графіків спектрів." #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "Інфрачервоний" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "Раман" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "Вібраційний компакт-диск" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "Магнітний компакт-диск" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "ЯМР" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "Електронні" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "Круговий дихроїзм" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "Щільність станів" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Вибір кольору тла" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Вибір кольору тексту" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Вибір кольору обчислених спектрів" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "Виберіть колір необроблених спектрів" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Вибір кольору імпортованих спектрів" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "Довжина хвилі (нм)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "Частота (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "Коливальні спектри" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Хвильові числа (см⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "Спосіб передавання" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "Раманівські спектри" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "Інтенсивність" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "Вібраційний круговий дихроїзм" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "Магнітний круговий дихроїзм" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "Спектри ЯМР" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "Хімічний зсув (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "Електронні спектри" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Енергія (еВ)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "Спектри кругового дихроїзму" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "Щільність" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "Згладжений" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "Сире" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "Імпортовано" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "Імпорт даних" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV-файли (*.csv); TSV-файли (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "Поверхня" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "Обсяг" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "Стиль:" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "Рендеринг молекулярних поверхонь." #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Молекулярні орбіталі…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "Орбітальне вікно" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "Відображення орбітальних списків." #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Орбіталь" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "Симетрія" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "Професія" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "Обертання" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "ВЗМО" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "НЗМО" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Молекулярні орбіталі" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Розчинник доступний" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Розчинник виключений" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Молекулярна Орбіталь" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Електронна щільність" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Щільність обертання" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "З файлу" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " від %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "Створення поверхонь…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "Відобразіть поверхню Ван-дер-Ваальса." #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "Відобразіть молекулярну поверхню Ван-дер-Ваальса." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "Зробіть молекулярну поверхню доступною для розчинника." #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "Відобразіть молекулярну поверхню, виключену з розчинників." #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "Відобразіть молекулярну орбіталь." #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "Відобразіть електронну густину." #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "Візуалізуйте щільність обертання." #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "Виконайте візуалізацію куба, що надається разом із файлом." #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "Куб %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "Обчислення електронної густини" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "Розрахунок спінової щільності" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Розрахунок молекулярної орбіталі %L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "Поверхнева обробка" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "Фільм AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "Експорт фільму" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Фільм MP4 (*.mp4);;Фільм AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "Не вдалося знайти активний віджет рендерингу, не вдається." #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Читання та візуалізація поверхонь." #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Відобразіть сцену у файлі SVG." #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "Клас" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "Симетрія…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Забезпечте функціональність симетрії." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Відобразити елементи симетрії." #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "Група %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "Шаблон" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "Інструмент шаблонів (%1)\n" "\n" "Вставити фрагменти, включаючи металеві центри.\n" "Виберіть елемент та координаційну геометрію, потім клацніть, щоб вставити " "фрагмент.\n" "\n" "Виберіть ліганд або функціональну групу та клацніть на атомі водню, щоб " "приєднати його." #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "Буфер обміну" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "Вставити шаблон" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "Вставте ліганд" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "Інструмент шаблону" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Просте відображення сфер VdW." #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "Запустіть анімацію" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "Зупинити анімацію" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Вібраційні режими…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Показати діалогове вікно режимів вібрації." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Встановіть режим вібрації." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Встановіть амплітуду коливань." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Запустіть вібраційну анімацію." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Зупиніть вібраційну анімацію." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Вібрації" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Відображення вібраційних режимів." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Рендер…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Текстовий файл (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Візуалізуйте сцену за допомогою VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Відобразіть молекулу як каркас." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Розрахувати структуру смуги…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Яемоп" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "Неможливо обчислити смугову структуру: немає елементарної комірки!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Помилка виконання Yaehmop із такою помилкою:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Не вдалося прочитати вихідну структуру смуги з Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "У вивідних даних Yaehmop знайдено лише одну особливу точку k! Потрібно два " "або більше!" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k-простір" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Гурт %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Рівень Фермі" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "Не вдається знайти Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "Помилка: %1 не вдалося запустити" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Введення Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Яемоп" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Виконайте розширені обчислення Хюккеля за допомогою yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Діалогове вікно" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Форма" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Параметри розрахунку" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Текст-заповнювач…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Скинути" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Сценарій налагодження…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Надіслати розрахунок…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Зберегти введені дані…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Черга та програма:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "Оновити" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" "

Кількість ядер процесора, яку потрібно зарезервувати " "для цієї роботи.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Ядра процесора:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

Видаліть віддалені робочі файли після завершення " "роботи. Результати все одно будуть спочатку скопійовані в локальний кеш " "завдань MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Видалити віддалені файли після завершення:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

Поставте прапорець, щоб за умовчанням це завдання не " "відображалося в графічному інтерфейсі користувача MoleQueue.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Приховати роботу в MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

Показувати системне спливаюче сповіщення, коли статус " "завдання змінюється.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Показати сповіщення про прогрес:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Відкрити вихід після завершення:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Перейменувати елементи" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Вставити фрагмент…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Фільтр:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Вкажіть назву або частину назви для фільтрування списку файлів." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Вставити" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Фрагмент HTML 3DMol" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Копіювати в буфер обміну" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Вхідний файл структури" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Створити вхідні дані з PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Файл:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Поле сил:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "РОЗБІР" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "СВЕНСОН" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Запустіть PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Завантажити існуючий файл PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Файл PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Вхідний файл" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Зберегти вхідний файл" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Запустіть APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Успіх!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Завантажити файл структури" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Завантажити файл куба" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Часткові збори" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Модель заряду:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Допуск на відстань:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Мінімальна відстань:" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Існує лише «базове» середовище conda.\n" "Чи хотіли б ви створити нове середовище для Avogadro?\n" "Це створить копію вашого базового середовища.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Назва середовища:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "авогадро" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Виберіть версію Python, яка використовується для запуску сценаріїв.\n" "Avogadro потрібно перезапустити, щоб зміни набули чинності." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Навколишнє середовище:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "Додавання обмежень" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Тип:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "Атомні індекси:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "Значення:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Додати" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "Опції" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "Отримати обмеження" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "Видалити вибране" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "Видалити все" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "Гаразд" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Редактор Координат" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Попереднє налаштування:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Одиниця вимірювання відстані:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ангстрем" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Бор" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Формат:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

Специфікація формату. Кожен символ позначає значення, " "яке потрібно записати для кожного атома:

# – індекс атома (1, 2, ..., кількість атомів)
Z – атомний номер (наприклад, " "\"6\" для вуглецю)
G - Атомний " "номер у стилі GAMESS (наприклад, \"6.0\" для вуглецю)
N - Назва елемента (наприклад, \"Вуглець\")
S – символ елемента (наприклад, " "\"C\" для вуглецю)
L - Мітка " "атома (наприклад, \"C2\" для другого атома вуглецю, \"H1\" для першого атома " "водню)
x - координата " "положення X
y - координата " "положення Y
z - координата " "положення Z
a - 'a' координата " "решітки (лише кристали)
b - ' " "b' координата решітки (лише кристали)
c - координата решітки 'c' (лише кристали)
_ – літеральний пробіл (\" \"), корисний " "для вирівнювання
0 - Літерал 0 " "(\"0\"), корисний для прапорців оптимізації
1 - Літерал 1 (\"1\"), корисний для оптимізації " "прапори

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Довідка…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Вставити" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Повернути" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Очистити" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Застосувати" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "вхід CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Скинути все" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Типові значення" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Зберегти файл…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Просте налаштування" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Заголовок:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "База імен файлів:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "робота" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Обчислення:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Базовий набір:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Функціональний" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "ММ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Eмакс Сплайн Спін" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Тип Пуассона EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Пуассон EWALD Альфа" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Пуассон EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "ЗОВНІШНІЙ МАКС. SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "ЗОВНІШНІЙ EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "ОТ Т МІНІМІЗЕР" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Розширення файлу для перетворення Open Babel (за замовчуванням - " "Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Параметри суперкомірки" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Параметри надкомірки" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Повторень за A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Повторень за B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Повторень за C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Коміркова матриця:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Дробова матриця:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Перетворення атомів" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Застосувати" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Повернути" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "С&ховати" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Масштабування об’єму елементарної комірки" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Новий &том:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Коефіцієнт масштабування:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Поточний обсяг:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Текстова мітка" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Порядок зв’язку:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Параметри оптимізації геометрії" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Критерії збіжності" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Конвергенція енергії:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Обмеження кроку:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " одиниць" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " кроки" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Градієнтна конвергенція:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Метод оптимізації" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Силове поле:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Автовизначення" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Вхідні дані GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "У:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "ПОРІГ КОНВ" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Мультиплетність:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "На основі:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Заряд:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Імпортувати з PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Пошук" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "назва" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "тег" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "синонім" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "формула" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inc hi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Пошук за: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Формула:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Завантажити" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ім'я:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Вставлення нуклеїнових кислот" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Побудова ДНК або РНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ДНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "РНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Нуклеїнові кислоти:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Аденін" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Цитозин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Гуанін" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Послідовність:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "кількість базових пар на оберт спіралі" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "інше" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Базових пар на оберт:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Ланцюжків:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "неодружений" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Двомісний" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "Конструктор пептидів" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "Аланін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Аргінін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Аспарагін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Аспарагінова кислота" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Цистеїн" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Глутамінова кислота" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Глутамін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Гліцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Гістидін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Ізолейцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "Валін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "Тирозін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Триптофан" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Треонін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Серин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Пролін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Про" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Фенілаланін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Метіонін" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Лізин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Лейцин" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "Амінокислоти:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "Послідовність (від N до C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "Стереохімія:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N-кінець:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C-кінець:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "Структура:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Розгорнутий ланцюг" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α-спіраль" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β-лист" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "3-10 Спіраль" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π-спіраль" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "Номер ланцюга:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "Номер ланцюга нового пептиду" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "вхід ЛАМПИ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Введіть коментарі до файлу" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Виберіть тип одиниці, який буде використано під час імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" " \n" " \n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Одиниці" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "c gs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "електрон" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Потенціал ґрунтової вологи" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Виберіть значення параметра atom_style, використане у файлі даних." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" " \n" " \n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Стиль атому" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "кут" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "атомний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "заряд" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "диполь" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "еліпсоїд" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "мезо" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "молекулярний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "пери" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "сфери" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "три" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "хвильовий пакет" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Вкажіть назву, яку буде використано для файла координат." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Файл даних координат" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ансамбль" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Температура" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Виберіть кількість ланцюжків Носе-Гувера у канонічному (NVT) ансамблі." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Ланцюжків НГ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Крок за часом під час імітації у одиницях, визначених параметрами розділу " "«Одиниці»." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Крок за часом" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Назва файла XYZ для запису даних під час імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Записати XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Кількість вимірів у системі." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Розмірності" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Змінити стиль межі за Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Змінити стиль межі за Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Змінити стиль межі за X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Виберіть стилі меж у напрямках X, Y та Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Межа" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Кількість копій у напрямках X, Y і Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Копіювання" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Копіювати напрям X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Копіювати напрям Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Копіювати напрям Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Загальна кількість кроків за часом у імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Загалом кроків" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Інтервал запису" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Вкажіть початкові швидкості атомів у імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Початкові швидкості" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Виберіть розподіл початкових швидкостей атомів." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "гаусів" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "однорідний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Встановити початкові швидкості атомів, що відповідають цій температурі." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Усунути лінійний імпульс системи з початкових швидкостей." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Нульовий імпульс" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Усунути момент імпульсу з початкових швидкостей." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Нульовий кутовий імпульс" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Контролювати термодинамічну вихідну потужність під час імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Вихід" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Інтервал виводу" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Стиль термодинамічного виводу." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Одна лінія" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Багато ліній" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Використовувати форму" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Генерувати…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Дескриптор:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Перенесення:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Обертання навколо:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Початок координат" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Центр молекули" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Центр селекції" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Вісь X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Вісь Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Вісь Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "рухатися:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Вибрані атоми" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Все інше" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Пошук конформерів" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Метод" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Кількість конформерів:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Систематичний пошук обертань" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Випадковий пошук обертань" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Середньозважений пошук обертань" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Пошук за генетичним алгоритмом" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Оптимізація на конформер:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Параметри генетичного алгоритма" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "кількість дітей для кожної батьківської геометрії" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Діти:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "частота мутацій (нижча = більш часті мутації)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Мінливість:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "кількість ідентичних поколінь до досягнення конвергенції" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Конвергенція:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Метод оцінки:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "метод підрахунку балів для генетичного алгоритму (RMSD = геометрична " "відстань, енергія = найменша енергія)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Алгоритм оптимізації:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Техніка пошуку лінії:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Найстрімкіший спуск" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Спряжений градієнт" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Просто" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Метод Ньютона" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Обмеження незв’язаних взаємодій" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Відстань Ван-дер-Ваальса:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Частота оновлення пари:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "відстань електростатичного відсічення:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Енергія» конвергенції:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Конструктор сценаріїв OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Сценарій роботи:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "сценарій" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Вхідні координати:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Топологія введення:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Поле Сил:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "БУРШТИН96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "БУРШТИН99сб" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "ЖУРНАТ99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "ЖУРНАТ99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "БУРШТИН03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "БУРШТИН10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Модель води:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Імпліцитний розчинник (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Платформа:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "По посиланню" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "Open CL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Точність:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "Неодружений" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "змішаний" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "подвійний" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Індекс пристрою:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Індекс платформи OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Незв'язаний метод:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Без обрізання" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Відсікання на періодичному" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Відсічення періодичне" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Евальд" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Толерантність Евальда:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Обмеження:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H Bonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Усі облігації" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "H Кути" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Допуск обмежень:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Жорстка вода?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Незв'язане відсічення:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Випадкова початкова швидкість:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Температура генерації:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Інтегратор:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Ланжевен" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Верлет" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "броунівський" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Змінна Ланжевен" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Змінна Верле" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Стійкість до помилок:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Частота зіткнень:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Баростат:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Монте Карло" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Тиск:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Баростатний інтервал" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Репортери:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Державні дані" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "P DB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Інтервал звіту:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Етапи врівноваження:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Етапи виробництва:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Згорнути?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Макс. Мінімізація кроків:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Параметри StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Індекс кроків" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "час" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Швидкість" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Прогрес" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Потенціальна енергія" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Кінетична енергія" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Загальна енергія" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Параметри друку PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Максимальний радіус:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Крок (др):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Параметри теоретичної рентгенограми" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" "

Розширення піку біля основи (у градусах).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

Максимальне значення 2тета в градусах.

За " "замовчуванням: 162,00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

Розширення піків біля основи в градусах.

За " "замовчуванням: 0,52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Кількість балів:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Ширина піку:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Довжина хвилі:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

Довжина хвилі рентгенівського випромінювання в " "ангстремах.

За замовчуванням: 1,50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

Кількість 2тета-точок для створення.

За " "замовчуванням: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "Макс. 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Завантажити вибране" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Радіус критичної точки:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Радіус контуру зв’язку:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Ковалентний" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Сталий розмір" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Застосувати колір" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Візуалізація спектрів" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Коефіцієнт масштабу:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X-Мінімум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Максимум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Зсув:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Максимум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y-Мінімум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Ширина Піку:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Піковий поріг:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Одиниці:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Вигляд" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "Встановити колір…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Імпортовані спектри:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Розмір шрифту:" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Ширина Лінії:" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Показувати" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Імпорт експериментальних спектрів у форматі значень, відокремлених " "табуляторами, для накладання на графік." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "&Імпорт…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Тло:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Розраховані спектри:" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "Сирі спектри:" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "&Експорт…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Експортувати дані" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "За&крити" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Опції…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Керування:\n" "Подвійне клацання лівою: відновити типові межі осей\n" "Клацання правою + перетягування: пересування креслення\n" "Клацання середньою + перетягування: збільшення ділянки\n" "Коліщатко гортання: зміна масштабу ділянки навколо вказівника" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "&Завантажити дані…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Якість: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Дуже низький" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Низька" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Середня" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Висока" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Дуже висока" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Рендер" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Налаштувати" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Створення поверхні" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Поверхня:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "альфа" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "бета-версія" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Колір за:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Електростатичний потенціал" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Роздільна здатність:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Ізоповерхневе значення:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Згладжування:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Світлий" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Сильний" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Обчислити" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "Записати фільм…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Молекула" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Симетрично еквівалентні атоми:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Симетрія блокування" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Операції" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Елементи симетрії:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Підгрупи" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Підгрупи:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Допуск:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Щільно" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Звичайний" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Вільно" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Дуже вільний" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Виявити симетрію" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Центри" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Офіційне звинувачення:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Координація:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Восьмигранний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Лінійний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Лінійний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Тригональна площина" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Чотиригранний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Квадрат Планар" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Тригональний біпірамідальний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: квадратна піраміда" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Трикутна призма" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: П'ятикутна Біпірамідальна" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Квадратна антипризма" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ліганди" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Однозубий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Двозубий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Тризубий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Чотиризубчасті" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Шестизубчастий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Тактильний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "З буфера обміну" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ліганд:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Групи" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Група:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "амід" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "карбоксилат" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "складний ефір" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "етилен" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "етин" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "нітро" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "феніл" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "фосфат" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "сульфонат" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Вібраційні режими" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Амплітуда:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Гурт Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Мін. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

Рівень Фермі має бути відомий, перш ніж ставити " "прапорець. Ви можете виявити рівень Фермі, виконавши обчислення щільності " "станів і відобразивши дані (вони будуть у верхній частині даних). Крім того, " "якщо виконується обчислення щільності станів, тут автоматично буде " "встановлено рівень Фермі, який було виявлено під час обчислення щільності " "станів.

Якщо цей прапорець позначено, переконайтеся, що рівень Фермі " "правильний. встановлюється у вікні обертання праворуч.

За " "замовчуванням: вимкнено

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Сюжет Фермі?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

Відрегулюйте енергії так, щоб нуль був Фермі? " "Доступно, лише якщо ми будуємо графік рівня Фермі.


За " "умовчанням: вимкнено

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Нуль Фермі?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# k-точок, що сполучають спеціальні k-точки:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Спеціальні k-точки" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Макс. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

Рівень Фермі

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

Введіть такі спеціальні k-точки:

L 0,5 0,5 0,5

G 0,0 0,0 0,0

X 0,5 0,0 0,5

Тобто , <символ> " "<x> <y> <z> де x, y і z є дробові зворотні просторові " "координати. Буде намальовано лінії, які з’єднуватимуть ці k-точки на графіку " "в тому порядку, у якому ви їх розмістили. Зауважте, що орієнтація вашої " "комірки може мати вплив на розташування цих взаємних просторових точок.

Якщо просторову групу кристала було сприйнято або встановлено, " "спеціальні k точки будуть автоматично заповнені точки високої симетрії " "примітивної комірки для цієї просторової групи. Існує кілька просторових " "груп з різними високими точками симетрії залежно від решітки (наприклад, " "якщо a > b або < б) - що враховується автоматично.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" " \n" " \n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

Введіть кількість k-точок, які з’єднуватимуть " "спеціальні k-точки. Більше цих k-точок згладить графік, але обчислення може " "тривати довше.

За замовчуванням: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

Обмежити y-діапазон на графіку?

За умовчанням: " "вимкнено

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Обмежити y-діапазон?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

Кількість періодичних розмірів.


Якщо " "встановлено значення 1, матеріал буде лише періодичним вздовж вектора A " "кристала.


Якщо встановлено значення 2, матеріал буде " "періодичним уздовж векторів A і B кристала.


Якщо " "встановлено значення 3, матеріал буде періодичним уздовж векторів A, B і C " "кристала.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Кількість вимірів:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Відобразити вхід Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Ваші імена" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Ваші електронні листи" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "Параметр \"%1\" не посилається на об'єкт." #, qt-format #~ msgid "Tab %1" #~ msgstr "вкладка %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "Помилка: значення має бути об’єктом для ключа «%1»." #~ msgid "Edit Color Opacity Map…" #~ msgstr "Редагувати карту непрозорості кольорів…" #~ msgid "ColorOpacityMap" #~ msgstr "Карта непрозорості кольорів" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "" #~ "Редагувати карти непрозорості кольорів, насамперед для об’ємного " #~ "відтворення." #~ msgid "Volume Rendering" #~ msgstr "Об'ємна візуалізація" #~ msgid "Cube" #~ msgstr "куб" #~ msgid "Enable volume rendering" #~ msgstr "Увімкнути об’ємний рендеринг" #~ msgid "Enable surface rendering" #~ msgstr "Увімкнути рендеринг поверхні" #~ msgid "Isovalue" #~ msgstr "Ізоцінність" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "Помилка отримання метаданих для енергетичного сценарію: %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "Помилка аналізу метаданих для енергетичного сценарію: %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "Помилка аналізу метаданих для енергетичного сценарію: %1\n" #~ "Результат не є об’єктом JSON.\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "Не вдається завантажити сценарій %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "Перевірка сценаріїв %1 на шляху %2" #, qt-format #~ msgid "%1 ΔE = %L2 kJ/mol" #~ msgstr "%1 ΔE = %L2 кДж/моль" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #~ msgid "Angles:" #~ msgstr "Кути:" #~ msgid " °" #~ msgstr " °" #~ msgid "Hartree" #~ msgstr "Гартрі" #~ msgid "eV" #~ msgstr "еВ" #~ msgid "kcal/mol" #~ msgstr "ккал/моль" #~ msgid "kJ/mol" #~ msgstr "кДж/моль" #, qt-format #~ msgctxt "argument is program name" #~ msgid "Installing dependencies with %1…" #~ msgstr "Встановлення залежностей за допомогою %1…" #~ msgid "Cancel" #~ msgstr "Скасувати" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid "p" #~ msgstr "p" #~ msgid "s" #~ msgstr "s" #~ msgid "f" #~ msgstr "f" #~ msgid "m" #~ msgstr "m" #~ msgid "fs" #~ msgstr "fs" #~ msgid "fm" #~ msgstr "fm" #~ msgid " nm" #~ msgstr " нм" #~ msgid " K" #~ msgstr " K" #~ msgid " fs" #~ msgstr " fs" #~ msgid "/ps" #~ msgstr "/ps" #~ msgid " atm" #~ msgstr " атм" #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " еВ" #, qt-format #~ msgid "%1 ΔE = %L2 kcal/mol" #~ msgstr "%1 ΔE = %L2 ккал/моль" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(очікується)" #~ msgid "unknown molecule" #~ msgstr "невідома молекула" #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "Накладання опорних осей" #~ msgid "Meshes" #~ msgstr "Сітки" #~ msgid "Plot RMSD curve…" #~ msgstr "Побудуйте криву середньоквадратичного значення…" #~ msgid "PlotRmsd" #~ msgstr "Plot Rmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "Згенеруйте та побудуйте криву RMSD." #, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Інструмент «Мітки атомів» (%1)\n" #~ "\n" #~ "Ліва кнопка миші: Натисніть на атоми, щоб додати власні мітки" #~ msgid "Max 2*theta:" #~ msgstr "Макс. 2*тета:" #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick and drag to rotate the view.\n" #~ "Middle Mouse:\tClick and drag to zoom in or out.\n" #~ "Right Mouse:\tClick and drag to move the view.\n" #~ "Double-Click:\tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Інструмент маніпуляції центрами зв'язку (%1)\n" #~ "\n" #~ "Ліва кнопка миші:\t\tНатисніть і перетягніть, щоб повернути вигляд.\n" #~ "Середня кнопка миші:\t Натисніть і перетягніть, щоб збільшити або " #~ "зменшити масштаб.\n" #~ "Права кнопка миші: \tНатисніть і перетягніть, щоб перемістити вигляд.\n" #~ "Подвійне клацання: \tСкинути вигляд.\n" #~ "\n" #~ "Клацніть лівою кнопкою миші та перетягніть на зв'язку, щоб встановити " #~ "площину маніпуляції:\n" #~ "Клацніть лівою кнопкою миші та перетягніть один з атомів у зв'язку, щоб " #~ "змінити кут.\n" #~ "Клацніть правою кнопкою миші та перетягніть один з атомів у зв'язку, щоб " #~ "змінити довжину" #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "" #~ "Таблиці для відображення та редагування властивостей атома, зв’язку, кута " #~ "та кручення." #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "Вирівнювання молекул\n" #~ "\n" #~ "Ліва кнопка миші: \tвибір до двох атомів.\n" #~ "\tПерший атом центрується за початком координат.\n" #~ "\tДругий атом вирівнюється за вибраною віссю.\n" #~ "Права кнопка миші: \tскасувати вирівнювання.\n" #~ "Подвійне клацання: \tцентрувати атом за початком координат." #, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Інструмент маніпуляції, орієнтований на Bond (%1) \n" #~ "\n" #~ "Ліва миша: клацніть і перетягніть, щоб повернути перегляд. \n" #~ "Середня миша: натисніть і перетягніть, щоб збільшити або зменшити " #~ "масштаб. \n" #~ "Права кнопка миші: натисніть і перетягніть, щоб перемістити перегляд. \n" #~ "Подвійне клацання: скидання перегляду. \n" #~ "\n" #~ "Клацніть лівою кнопкою миші та перетягніть зв’язок, щоб встановити " #~ "площину маніпуляції: \n" #~ "Клацніть лівою кнопкою миші та перетягніть один із атомів у зв’язку, щоб " #~ "змінити кут \n" #~ "Клацніть правою кнопкою миші та перетягніть один із атомів у зв’язку, щоб " #~ "змінити довжину" #, qt-format #~ msgid "" #~ "Draw Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Інструмент малювання (%1)\n" #~ "\n" #~ "Ліва миша: клацніть і перетягніть, щоб створити атоми та зв’язок\n" #~ "Права кнопка миші: Видалити атом" #, qt-format #~ msgid "" #~ "Atom Label Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Інструмент Atom Label (%1)\n" #~ "\n" #~ "Ліва миша: клацніть на Atoms, щоб додати власні мітки" #, qt-format #~ msgid "" #~ "Manipulation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Інструмент маніпуляції (%1)\n" #~ "\n" #~ "Ліва миша: натисніть і перетягніть, щоб перемістити атоми\n" #~ "Права миша: клацніть і перетягніть, щоб обертати атоми.\n" #, qt-format #~ msgid "" #~ "Measure Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Інструмент вимірювання (%1)\n" #~ "\n" #~ "Ліва миша: виберіть до чотирьох атомів.\n" #~ "\tВідстані вимірюються від 1-2 до 2-3\n" #~ "\tКут вимірюється між 1-3, використовуючи 2 як спільну точку\n" #~ "\tДвогранник вимірюється між 1-2-3-4\n" #~ "Права кнопка миші: скинути вимірювання." #, qt-format #~ msgid "" #~ "Navigation Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Інструмент навігації (%1)\n" #~ "\n" #~ "Ліва миша: клацніть і перетягніть, щоб повернути перегляд.\n" #~ "Середня миша: натисніть і перетягніть, щоб збільшити або зменшити " #~ "масштаб.\n" #~ "Права кнопка миші: натисніть і перетягніть, щоб перемістити перегляд.\n" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "За замовчуванням: прокрутіть вниз, щоб зменшити, прокрутіть вгору, щоб " #~ "збільшити\n" #~ "Перевернуто: прокрутіть вгору, щоб зменшити, прокрутіть вниз, щоб " #~ "збільшити" #, qt-format #~ msgid "Animation Tool \t(%1)" #~ msgstr "Інструмент анімації (%1)" #, qt-format #~ msgid "" #~ "Selection Tool \t(%1)\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Інструмент виділення (%1) \n" #~ "\n" #~ "Ліва миша: клацніть, щоб вибрати окремі атоми, залишки або фрагменти \n" #~ "\tПеретягніть, щоб вибрати діапазон атомів \n" #~ "Права кнопка миші: клацніть за межами молекули, щоб очистити вибір \n" #~ "Використовуйте Ctrl, щоб перемкнути виділення, і Shift, щоб додати до " #~ "виділення. \n" #~ "Подвійне клацання: виділення цілого фрагмента." #, qt-format #~ msgid "" #~ "Template Tool \t(%1)\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Інструмент шаблону (%1) \n" #~ "\n" #~ "Вставні фрагменти, в тому числі металеві центри. \n" #~ "Виберіть елемент і координаційну геометрію, а потім натисніть, щоб " #~ "вставити фрагмент. \n" #~ "\n" #~ "Виберіть ліганд або функціональну групу та натисніть на атом водню, щоб " #~ "приєднати його." #~ msgid "0" #~ msgstr "0" #~ msgid "+1" #~ msgstr "+1" #~ msgid "+2" #~ msgstr "+2" #~ msgid "+3" #~ msgstr "+3" #~ msgid "+4" #~ msgstr "+4" #~ msgid "+5" #~ msgstr "+5" #~ msgid "+6" #~ msgstr "+6" #~ msgid "+7" #~ msgstr "+7" #~ msgid "Render polygon meshes." #~ msgstr "Візуалізація полігональних сіток." #~ msgid "&Analysis" #~ msgstr "&Аналіз" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "…" #~ msgid "&Import..." #~ msgstr "&Імпортувати…" #~ msgid "Set Color..." #~ msgstr "Встановити колір…" #~ msgid "&Export..." #~ msgstr "&Експортувати…" #~ msgid "&Load data..." #~ msgstr "З&авантажити дані…" #~ msgid "eV)" #~ msgstr "еВ)" #~ msgid "Partial Charge" #~ msgstr "Частковий заряд" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Інструмент керування зв’язками\n" #~ "\n" #~ "Ліва кнопка: \tзатисніть і перетягніть, щоб обертати область перегляду\n" #~ "Середня кнопка: затисніть і перетягніть, щоб збільшити або зменшити\n" #~ "Права кнопка: \tзатисніть і перетягніть, щоб пересунути область " #~ "перегляду\n" #~ "\n" #~ "Затиснута ліва з перетягуванням на зв’язку встановлює площину роботи зі " #~ "зв’язком:\n" #~ "Затиснута ліва і перетягування одного з атомів у зв’язку змінює кут " #~ "зв’язку\n" #~ "Затиснута права і перетягування одного з атомів у зв’язку змінює його " #~ "довжину" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Інструмент малювання (F8)\n" #~ "\n" #~ "Ліва кнопка: \tклацайте і перетягуйте, щоб створити атоми і зв’язки\n" #~ "Права кнопка: \tвилучити атом" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Дії під час вимірювання (F12)\n" #~ "\n" #~ "Ліва кнопка: \tВибір до трьох атомів.\n" #~ "\tВідстані вимірюються у парах 1-2 і 2-3\n" #~ "\tКут вимірюється між парою 1-3 з 2 у його вершині\n" #~ "Права кнопка: \tСкинути результати вимірів.\n" #~ "Подвійне клацання: \tповернути початковий вигляд." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Інструмент навігації (F9)\n" #~ "\n" #~ "Ліва кнопка: \tзатисніть і перетягніть, щоб обертати область перегляду\n" #~ "Середня кнопка: Затисніть і перетягніть, щоб збільшити або зменшити\n" #~ "Права кнопка: \tзатисніть і перетягніть, щоб пересунути область " #~ "перегляду.\n" #~ "Подвійне клацання: \tповернути початковий вигляд." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Анімація" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Інструмент позначення (F11)\n" #~ "\n" #~ "Ліва кнопка миші: \tклацніть, щоб позначити окремі атоми, залишки або " #~ "фрагменти.\n" #~ "\tПеретягніть, щоб позначити декілька атомів.\n" #~ "Права кнопка миші: \tклацніть поза межами молекул, щоб зняти позначення\n" #~ "Користуйтеся Ctrl для перемикання стану позначення і Shift для додавання " #~ "елементів до позначення.\n" #~ "Подвійне клацання: \tпозначити весь фрагмент." #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Інструмент керування (F10)\n" #~ "\n" #~ "Ліва кнопка: \tзатискання і перетягування атомів\n" #~ "Середня кнопка: наближення або віддалення атомів\n" #~ "Права кнопка: \tобертання вибраних атомів. Подвійне клацання: \tповернути " #~ "початковий вигляд." #~ msgid "Geometry" #~ msgstr "Геометрія" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Вилучити &елементарну комірку" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Номери атомів" #, fuzzy #~ msgid "By Distance" #~ msgstr "Відстань" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Номери атомів" #, fuzzy #~ msgid "&Copy" #~ msgstr "Копіювати все" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Назва молекули у IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Молекулярна вага (г/моль):" #~ msgid "Chemical Formula:" #~ msgstr "Хімічна формула:" #~ msgid "Number of Atoms:" #~ msgstr "Кількість атомів:" #~ msgid "Number of Bonds:" #~ msgstr "Кількість зв’язків:" #~ msgid "TODO" #~ msgstr "ЩЕ НЕ НАПИСАНО" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Розмір переходу:" #, fuzzy #~ msgid "In." #~ msgstr "У:" #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Фрагменти" #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "Функіонал ТФЩ" #~ msgid "Other..." #~ msgstr "Інше…" #, fuzzy #~ msgid "Filename" #~ msgstr "Назва файла:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Завантажити файл" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Навігація" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Навігація" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Назва елемента" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Усі файли" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "ромбоедрична" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Молекула" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Не вказано молекули" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK…" #~ msgid "Fragment..." #~ msgstr "Фрагмент…" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Кристал…" #~ msgid "SMILES..." #~ msgstr "SMILES…" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Додати атоми водню при pH…" #~ msgid "Atom Properties..." #~ msgstr "Властивості атомів…" #~ msgid "Bond Properties..." #~ msgstr "Властивості зв’язків…" #~ msgid "Angle Properties..." #~ msgstr "Властивості кутів…" #~ msgid "Torsion Properties..." #~ msgstr "Властивості обертання…" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Властивості молекули…" #~ msgid "Create Surfaces..." #~ msgstr "Створити поверхні…" #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Симетрія" #~ msgid "Insert Fragment..." #~ msgstr "Вставити фрагмент…" #~ msgid "Theory:" #~ msgstr "Теорія:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Відстань (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Обертання" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Конформація %1\n" #~ "Довжина %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Конформація %1\n" #~ "Кут %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Кут %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Конформація %1\n" #~ "Кут повороту %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Обертання %1" #~ msgid "Torsion" #~ msgstr "Обертання" #~ msgid "Energy (kJ/mol)" #~ msgstr "Енергія (кДж/моль)" #~ msgid "Yes" #~ msgstr "Так" #~ msgid "No" #~ msgstr "Ні" #, fuzzy #~ msgid "Import" #~ msgstr "Імпортувати" #~ msgid "Insert SMILES" #~ msgstr "Вставити SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Вставити фрагмент SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Вставити кристал" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Вставити фрагменти молекул для побудови більших молекул" #~ msgid "E&xtensions" #~ msgstr "Р&озширення" #~ msgid "Symmetry Properties..." #~ msgstr "Властивості симетрії…" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Оптимізувати геометричні параметри" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Оптимізація геометричних параметрів" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Додати атоми водню" #, fuzzy #~ msgid "Stopped" #~ msgstr "Зупинити" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Поверхні" #~ msgid "Color by Index" #~ msgstr "порядковими номерами атомів" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Розфарбувати за порядковими номерами атомів (червоний, помаранчевий, " #~ "жовтий, зелений, синій, фіолетовий)." #~ msgid "Color by Partial Charge" #~ msgstr "частковими зарядами атомів" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Розфарбувати за частковим зарядом атома (синій = додатний, червоний = " #~ "від’ємний)." #~ msgid "Custom Color:" #~ msgstr "Інший колір:" #~ msgid "Set custom colors for objects" #~ msgstr "Вказати інші кольори для об’єктів" #~ msgid "Color by Distance" #~ msgstr "відстанями" #~ msgid "Color by distance from the first atom." #~ msgstr "Розфарбувати за відстанню від першого атома." #~ msgid "Color by Element" #~ msgstr "елементами" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Розфарбувати за елементами (вуглець = сірий, кисень = червоний…)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Розфарбувати за залишком (типом амінокислоти, гідрофобністю…)" #~ msgid "SMARTS Pattern:" #~ msgstr "Набор SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Колір позначення:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "набором SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Позначати окремі елементи, які відповідають набору SMARTS." #~ msgid "Ununtrium" #~ msgstr "Унунтрій" #~ msgid "Ununpentium" #~ msgstr "Унунпентій" #~ msgid "Ununseptium" #~ msgstr "Унунсептій" #~ msgid "Ununoctium" #~ msgstr "Унуноктій" #~ msgid "Engines" #~ msgstr "Рушії" #~ msgid "Axes" #~ msgstr "Осі" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Показ осей x, y і z поблизу початку координат" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Показ елементів за допомогою кульок (атоми) та стрижнів (зв’язки)" #~ msgid "Dipole" #~ msgstr "Диполь" #~ msgid "Hydrogen Bond" #~ msgstr "Водневі зв’язки" #~ msgid "Renders hydrogen bonds" #~ msgstr "Показ водневих зв’язків" #~ msgid "Select Atom Labels Color" #~ msgstr "Вибір кольору міток атомів" #~ msgid "Select Bond Labels Color" #~ msgstr "Вибір кольору міток зв’язків" #~ msgid "Select Bond Labels Font" #~ msgstr "Вибір шрифту міток зв’язків" #~ msgid "Polygon" #~ msgstr "Полігональний" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Показувати атоми як тетраедри, октаедри та інші багатогранники" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Показувати основу білка смужкою" #~ msgid "Ring" #~ msgstr "Цикл" #~ msgid "Renders rings with colored planes" #~ msgstr "Показувати цикли розфарбованими площинами" #~ msgid "Simple Wireframe" #~ msgstr "Простий каркас" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Показ зв’язків як лінійних стрижнів. Чудово працює для великих молекул." #~ msgid "Van der Waals Spheres" #~ msgstr "Сфери Ван-дер-Ваальса" #~ msgid "Stick" #~ msgstr "Стрижні" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Поверхня електронної щільності, межа = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, межа = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Показ зв’язків як лінійних стрижнів. Чудово працює для дуже великих " #~ "(біо-)молекул." #~ msgid "Trajectory files" #~ msgstr "Файли траєкторій" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Файли HISTORY DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Відкриття файла траєкторії" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Додавання суфікса .avi" #~ msgid "Animation..." #~ msgstr "Анімація…" #~ msgid "Cannot read file format of file %1." #~ msgstr "Не вдається визначити формат файла %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Спроба читання файла траєкторії %1 зазнала невдачі." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Слід вказати коректну назву файла .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Віджет GL не було належним чином ініціалізовано для збереження відеоданих" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Некоректна назва файла відео. Слід вказати назву з адресою теки повністю" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Некоректна назва файла відео. Слід вказати назву з адресою теки повністю " #~ "з суфіксом файла .avi." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Не вдалося визначити формат за назвою файла: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Анімація траєкторій, реакції та коливань." #~ msgid "Cartesian Editor" #~ msgstr "Редактор декартових координат" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Для молекули не визначено елементарної комірки — не можна використовувати " #~ "дробові значення координат." #~ msgid "Cartesian Editor..." #~ msgstr "Редактор декартових координат…" #~ msgid "Cartesian editor" #~ msgstr "Редактор декартових координат" #~ msgid "Number of atoms: %1" #~ msgstr "Кількість атомів: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Кількість обертових зв’язків: %1" #~ msgid "Add constraint" #~ msgstr "Додати обмеження" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Для додавання обмеження ваша молекула має містити принаймні один атом" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Для додавання обмеження зв’язку ваша молекула має містити принаймні два " #~ "атома" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Для додавання обмеження на кут ваша молекула має містити принаймні три " #~ "атома" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Для додавання обмеження на кут обертання ваша молекула має містити " #~ "принаймні чотири атома" #~ msgid "&Crystallography" #~ msgstr "&Кристалографія" #~ msgid "&Reduce" #~ msgstr "Сп&ростити" #~ msgid "&Length Unit" #~ msgstr "Од&иниця довжини" #~ msgid "&Angle Unit" #~ msgstr "&Одиниця кутів" #~ msgid "&Coordinate Display" #~ msgstr "Показ к&оординат" #~ msgid "Coordinate &Preservation" #~ msgstr "З&береження координат" #~ msgid "&Matrix Display" #~ msgstr "Показ &матриці" #~ msgid "Hide &Editors" #~ msgstr "Сховати пункти &редагування" #~ msgid "Show &Editors" #~ msgstr "Показати пункти &редагування" #~ msgid "Hide &Property Display" #~ msgstr "Сховати панель &властивостей" #~ msgid "Show &Property Display" #~ msgstr "Показати панель &властивостей" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Тип ґратки: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Просторова група: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Об’єм елементарної комірки: %L1%2" #~ msgid "Undefined" #~ msgstr "Не визначено" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "триклінна" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "моноклінна" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "орторомбічна" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "тетрагональна" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "гексагональна" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "кубічна" #~ msgid "Paste Crystal" #~ msgstr "Вставити кристал" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Спроба використання спрощення Нігглі зазнала невдачі. Причиною є вхідні " #~ "дані структури ґратки. Спробуйте внести невеличке збурення (приблизно на " #~ "два порядки менше за припустиме відхилення) до вхідних даних ґратки, а " #~ "потім повторіть спробу." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Не вдалося звести комірку за допомогою 1000 ітерацій алгоритму зведення. " #~ "Спроби припинено." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Обернути до стандартної &орієнтації" #~ msgid "&Slab..." #~ msgstr "П&лита…" #~ msgid "Perceive Space&group..." #~ msgstr "Визначити п&росторову групу…" #~ msgid "Set &Spacegroup..." #~ msgstr "Встановити просторову &групу…" #~ msgid "&Fill Unit Cell" #~ msgstr "&Заповнити елементарну комірку" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Заповнити елементарну комірку на основі поточної просторової групи." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Спростити до &асиметричного модуля…" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Вилучити атоми у еквівалентних позиціях (обернене до «Заповнити комірку " #~ "модуля»)" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "С&иметризувати кристал" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Звести комірку (до &базової)" #~ msgid "&Bohr" #~ msgstr "&бор" #~ msgid "&Nanometer" #~ msgstr "&нанометр" #~ msgid "&Picometer" #~ msgstr "&пікометр" #~ msgid "&Degree" #~ msgstr "&градус" #~ msgid "&Radian" #~ msgstr "&радіан" #~ msgid "Display &cartesian coordinates" #~ msgstr "Показувати вісі &декартової системи координат" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Зберігати &декартові вісі координат під час змін геометрії комірки" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Зберігати &місцеві вісі координат під час змін у геометрії комірки" #~ msgid "Display &cartesian matrix" #~ msgstr "Показувати матрицю &декартової системи" #~ msgid "Display &fractional matrix" #~ msgstr "Показувати матрицю &місцевої системи" #~ msgid "Display as &column vectors" #~ msgstr "Показувати як вектори-стовп&чики" #~ msgid "&Crystal View Options..." #~ msgstr "Параметри перегляду &кристалів…" #~ msgid "" #~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

" #~ msgstr "" #~ "

Видима просторова група %1, символ Голла %2, символ Германна-Могена %3." #~ "

Комірку можна симетризувати до загальноприйнятої конфігурації. " #~ "Хочете, щоб програма це зробила? Це потрібно для дій, у яких " #~ "використовується симетрія (наприклад, побудови суперкомірок).

" #~ msgid "Set Spacegroup" #~ msgstr "Встановлення просторової групи" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "У цьому документі не встановлено просторової групи.\n" #~ "\n" #~ "Бажаєте встановити просторову групу зараз?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Виявлено просторову групу P1 — таку просторову групу неможливо " #~ "симетризувати.\n" #~ "\n" #~ "Бажаєте повторити спробу з іншим припустимим відхиленням?" #~ msgid "Symmetrize Crystal" #~ msgstr "Симетризація кристала" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Згорнути атоми до комірки" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Звести до комірки Нігглі" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "" #~ "Виберіть припустиме відхилення у поточних одиницях декартової системи:" #~ msgid "Crystallography" #~ msgstr "Кристалографія" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Побудова та аналіз періодичних структур." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Формат вхідних даних не відповідає\n" #~ "жодному з підтримуваних форматів:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Формат VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Помилкове компонування" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Поле профілів має містити ту саму кількість записів, відокремлених " #~ "пробілами, що і рядок 6 даних POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Декартові координати" #~ msgid "Fractional Coordinates" #~ msgstr "Місцеві координати" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Матриця комірок (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Встановлення матриці елементарної комірки" #~ msgid "Set Unit Cell Params" #~ msgstr "Встановлення параметрів елементарної комірки" #~ msgid "Working..." #~ msgstr "Обробка даних…" #~ msgid "Build" #~ msgstr "Побудувати" #~ msgid "Cut Slab From Crystal" #~ msgstr "Вирізати плиту з кристала" #~ msgid "No GLWidget?" #~ msgstr "Немає GL-віджета?" #~ msgid "Please select one or more atoms." #~ msgstr "Будь ласка, позначте один або декілька атомів." #~ msgid "Trajectory..." #~ msgstr "Траєкторія…" #~ msgid "Open chemical file format" #~ msgstr "Відкриття файла формату хімічних даних" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Файли хімічних даних (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Відкрити файл параметрів" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Файли хімічних даних (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Імпорт траєкторії" #~ msgid "Import trajectory files" #~ msgstr "Імпортувати файли траєкторій" #~ msgid "Calculate Energy" #~ msgstr "Обчислення енергії" #~ msgid "Conformer Search..." #~ msgstr "Пошук конформерів…" #~ msgid "Constraints..." #~ msgstr "Обмеження…" #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Не вдалося встановити поточне вибране поле сили для цієї молекули. " #~ "Перемикання на однорідне поле сили." #~ msgid "Geometric Optimization" #~ msgstr "Оптимізація геометричних параметрів" #~ msgid "Systematic Rotor Search" #~ msgstr "Систематичний пошук обертань" #~ msgid "Random Rotor Search" #~ msgstr "Випадковий пошук обертань" #~ msgid "Weighted Rotor Search" #~ msgstr "Середньозважений пошук обертань" #~ msgid "Genetic Algorithm Search" #~ msgstr "Пошук за генетичним алгоритмом" #~ msgid "ForceField" #~ msgstr "Поле сил" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Оптимізація молекул та створення конформерів за допомогою полів сил " #~ "молекулярної механіки" #~ msgid "&Vector Graphics..." #~ msgstr "&Векторна графіка…" #~ msgid "Common vector image formats" #~ msgstr "Типові формати векторної графіки" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Експорт у форматі векторної графіки" #~ msgid "Change H to Methyl" #~ msgstr "Заміна H на метил" #~ msgid "H to Methyl" #~ msgstr "H у метил" #~ msgid "H2Methyl" #~ msgstr "H->Метил" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Перетворити атоми водню на метилові групи" #~ msgid "Add or remove hydrogens" #~ msgstr "Додати або вилучити атоми водню" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Вставити ланцюжки ДНК або РНК" #~ msgid "Peptide..." #~ msgstr "Пептид…" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Вставити олігопептидну послідовність" #~ msgid "Invert Chirality" #~ msgstr "Інвертувати хіральність" #~ msgid "InvertChiral" #~ msgstr "Інверсія хіральності" #~ msgid "Invert chiral centers" #~ msgstr "Інверсія центрів хіральності" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "невідома" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Оцінка дипольного моменту (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Показати стандартні властивості молекули." #~ msgid "Fetch by chemical name..." #~ msgstr "Звантажити за назвою…" #~ msgid "Fetch from URL..." #~ msgstr "Звантажити за адресою…" #~ msgid "PDB Entry" #~ msgstr "Запис PDB" #~ msgid "PDB entry to download." #~ msgstr "Запис PDB для звантаження." #~ msgid "URL" #~ msgstr "Адреса" #~ msgid "URL of molecule to download." #~ msgstr "Адреса молекули для звантаження." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Не вдалося завантажити вказану молекулу: %1" #~ msgid "Network Fetch" #~ msgstr "Звантаження з мережі" #~ msgid "Fetch molecule files over the network." #~ msgstr "Звантаження файлів молекул з мережі." #~ msgid "OrcaExtension Warning" #~ msgstr "Попередження OrcaExtension" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " Не знайдено даних щодо вібрації!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Не знайдено даних щодо вібрації або дані молекули змінено поза межами " #~ "додатка Orca!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Вибрані дані щодо зміщень не відповідають справжній молекулі!" #~ msgid "extended Geometry File" #~ msgstr "файл розширеної геометрії" #~ msgid "Read Orca Outputfile" #~ msgstr "Прочитати файл виведених даних Orca" #~ msgid "no file found" #~ msgstr "файла не знайдено" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Щось не так із структурою файла" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Щось не так із структурою файла — unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Щось не так у виведених даних IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Щось не так у виведених даних raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Щось не так у виведених даних щодо орбітальної енергії! " #~ msgid "No geometry found in file!" #~ msgstr "У файлі не виявлено геометричних параметрів!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Молекула з файла не відповідає дійсній структурі молекули! \n" #~ " Хочете перевизначити параметри дійсної молекули?" #~ msgid "Could not read file!" #~ msgstr "Не вдалося прочитати файл!" #~ msgid "Analyse Orca Output..." #~ msgstr "Проаналізувати виведені дані Orca…" #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Тестовий приклад Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Відкриває діалогове вікно із словами «H…..»." #~ msgid "ORCA Input Deck" #~ msgstr "Панель введення ORCA" #~ msgid "Show Preview" #~ msgstr "Показати попередній перегляд" #~ msgid "Hide Preview" #~ msgstr "Приховати попередній перегляд" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "" #~ "Варіантом RijCosX для вибраного функціоналу ТФЩ (DFT) скористатися " #~ "неможливо!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX не можна скористатися для вибраного функціоналу ТФЩ (DFT)! \n" #~ "Пункт щодо RijCosX скинуто!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "До тексту попереднього перегляду внесено незбережені зміни! \n" #~ " Створення нового вікна попереднього перегляду призведе до втрати змін! \n" #~ " Хочете відкинути ці зміни?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::не знайдено даних щодо вібрації!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Зберегти оброблене зображення POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Файли зображень (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray…" #~ msgid "No valid filename was supplied." #~ msgstr "Не вказано коректної назви файла." #~ msgid "Does not compute." #~ msgstr "Не обчислювати." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Ви наказали не виконувати пряму обробку за допомогою POV-Ray і не " #~ "зберігати файл POV-Ray. Отже виведені дані не буде збережено. Це справді " #~ "те, чого ви бажали?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не вдалося записати дані до файла %1. Чи є у вас належні права доступу на " #~ "запис?" #~ msgid "POV-Ray failed to start." #~ msgstr "Не вдалося запустити POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Не вдалося запустити POV-Ray. Ймовірно, шлях до виконуваного файла " #~ "вказано з помилкою." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Створити файли POV-Ray і обробити їх за допомогою програми POV-Ray, що " #~ "керується командним рядком." #~ msgid "Conformer Properties..." #~ msgstr "Властивості конформерів…" #~ msgid "Python Terminal" #~ msgstr "Термінал Python" #~ msgid "pythonTerminalDock" #~ msgstr "Панель термінала python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Інтерактивний термінал скриптів python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Abinit?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Набір вхідних даних Abinit" #~ msgid "Abinit Running." #~ msgstr "Abinit запущено." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "Abinit вже запущено. Зачекайте на завершення попередніх обчислень." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit не встановлено." #~ msgid "The abinit executable cannot be found." #~ msgstr "Не вдалося виявити виконуваний файл Abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "псевдо (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Abinit не запущено. Ймовірно, програму не встановлено." #~ msgid "Running Abinit calculation..." #~ msgstr "Виконуються розрахунки за допомогою Abinit…" #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit не запущено належним чином. Ймовірно, програму встановлено з " #~ "помилками." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду файла вхідних даних " #~ "Dalton?" #~ msgid "QM Matches" #~ msgstr "Відповідники КМ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Вибір ЕПФ…" #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Вибір параметрів КМ…" #~ msgid "You must make a selection!" #~ msgstr "Вам слід позначити хоч щось!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Неможливо скористатися перетворенням SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Перетворення форматів SMILES недоступне!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Створення файлів вхідних даних для пакунка квантохімічних обчислень GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Змінено додаткові параметри" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Змінено додаткові параметри.\n" #~ "Відкинути внесені зміни?" #~ msgid "Advanced Settings Reset" #~ msgstr "Скидання додаткових параметрів" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ви справді бажаєте відкинути зміни, внесені до додаткових параметрів?\n" #~ "Змінені значення буде втрачено!" #~ msgid "Basic Settings Reset" #~ msgstr "Скидання основних параметрів" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ви справді бажаєте відкинути зміни, внесені до основних параметрів?\n" #~ "Змінені значення буде втрачено!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних GAMESS-" #~ "UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Панель імпорту з GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Gaussian" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних " #~ "Gaussian?" #~ msgid "Gaussian Input Deck" #~ msgstr "Набір вхідних даних Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Запущено Gaussian." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian вже запущено. Зачекайте на завершення попередніх обчислень." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian не встановлено." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Не вдалося виявити виконуваний файл G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 не запущено. Ймовірно, програму не встановлено." #~ msgid "Running Gaussian calculation..." #~ msgstr "Виконуються розрахунки за допомогою Gaussian…" #~ msgid "G03 Crashed." #~ msgstr "Роботу G03 завершено у аварійному режимі." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian не запущено належним чином. Ймовірно, програму встановлено з " #~ "помилками." #~ msgid "&Abinit..." #~ msgstr "&Abinit…" #~ msgid "&Dalton..." #~ msgstr "&Dalton…" #~ msgid "&Gaussian..." #~ msgstr "&Gaussian…" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO…" #~ msgid "&NWChem..." #~ msgstr "&NWChem…" #~ msgid "&PSI4..." #~ msgstr "&PSI4…" #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem…" #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Набір вхідних даних Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Попередження засобу створення вхідних даних MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Набір вхідних даних MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Запущено MOPAC." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC вже запущено. Зачекайте на завершення попередніх обчислень." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC не встановлено." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Не вдалося виявити виконуваний файл MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "Не вдалося запустити MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC не запущено. Ймовірно, програму не встановлено." #~ msgid "Running MOPAC calculation..." #~ msgstr "Виконуються розрахунки за допомогою MOPAC…" #~ msgid "MOPAC Crashed." #~ msgstr "Роботу MOPAC завершено у аварійному режимі." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC не запущено належним чином. Ймовірно, програму встановлено з " #~ "помилками." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Набір вхідних даних NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Psi4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Набір вхідних даних Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Набір вхідних даних Q-Chem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних " #~ "TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Набір вхідних даних TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Позначити SMARTS…" #~ msgid "Add Named Selection..." #~ msgstr "Додати іменоване позначення…" #~ msgid "SMARTS Selection" #~ msgstr "Позначення за SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Позначити відповідно до набору SMARTS" #~ msgid "There is no current selection." #~ msgstr "Зараз нічого не позначено." #~ msgid "Add Named Selection" #~ msgstr "Додати іменоване позначення" #~ msgid "Name cannot be empty." #~ msgstr "Назва не може бути порожньою." #~ msgid "There is already a selection with this name." #~ msgstr "Позначення з такою назвою вже існує." #~ msgid "Selections" #~ msgstr "Позначення" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Позначити атоми, зв’язки, залишки…" #~ msgid "GLSL Shaders..." #~ msgstr "GLSL-шейдери…" #~ msgid "Open a vertex shader source file" #~ msgstr "Відкрити файл кодів вершинного шейдера" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Файли вершинних шейдерів (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Відкрити файл кодів шейдера фрагментів" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Файли шейдерів фрагментів (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Відкриття файла параметрів шейдера" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Файли параметрів шейдерів (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL-шейдери" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Завантаження і використання GLSL-шейдерів OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Інтенсивність (довільні одиниці)" #~ msgid "Density of States (states/cell)" #~ msgstr "Щільність станів (станів/комірку)" #~ msgid "Density of States (states/atom)" #~ msgstr "Щільність станів (станів/атом)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Щільність станів (станів/валентний електрон)" #~ msgid "Transmittance (%)" #~ msgstr "Пропускання (у %)" #~ msgid "Absorbance (%)" #~ msgstr "Поглинання (у %)" #~ msgid "No intensities" #~ msgstr "Без інтенсивностей" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Серед даних коливань молекули, яку ви завантажили, немає даних щодо " #~ "інтенсивності. Для візуалізації встановлено довільні значення " #~ "інтенсивностей." #~ msgid "Activity" #~ msgstr "Активність" #~ msgid "X Axis" #~ msgstr "Вісь X" #~ msgid "Y Axis" #~ msgstr "Вісь Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Параметри &інфрачервоного спектра" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "ЯМР" #~ msgid "&NMR Spectra Settings" #~ msgstr "Параметри спектрів &ЯМР" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Щільність станів" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "УФ" #~ msgid "&UV Settings" #~ msgstr "Параметри &УФ" #~ msgid "&CD Settings" #~ msgstr "Параметри &кругового дихромізма" #~ msgid "&Raman Settings" #~ msgstr "Параметри &комбінаційного розсіювання" #~ msgid "No data" #~ msgstr "Немає даних" #~ msgid "Dark" #~ msgstr "Темний" #~ msgid "Publication" #~ msgstr "Публікація" #~ msgid "Handdrawn" #~ msgstr "Малюнок вручну" #~ msgid "New Scheme" #~ msgstr "Нова схема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Підтвердження вилучення схеми" #~ msgid "Really remove current scheme?" #~ msgstr "Ви справді бажаєте вилучити поточну схему?" #~ msgid "Change Scheme Name" #~ msgstr "Зміна назви схеми" #~ msgid "Enter new name for current scheme:" #~ msgstr "Введіть нову назву поточної схеми:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Значення, відокремлені табуляторами (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Значення, відокремлені табуляторами" #~ msgid "Comma Separated Values" #~ msgstr "Значення, відокремлені комами" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Імпортування спектрів" #~ msgid "Unknown extension: %1" #~ msgstr "Невідомий суфікс файла: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "IR-спектр з PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "IR-спектр з Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "UV-спектр з Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "CD-спектр з Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Формат даних" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Формат:" #~ msgid "Load Spectral Data" #~ msgstr "Завантаження спектральних даних" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "CD-файл з Turbomole має помилковий формат : %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG (Portable Network Graphics)" #~ msgid "jpeg" #~ msgstr "JPEG" #~ msgid "Tagged Image File Format" #~ msgstr "Формат файла зображення з мітками (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Растрове зображення Windows (BMP)" #~ msgid "Portable Pixmap" #~ msgstr "Портативне растрове зображення (PPM)" #~ msgid "X11 Bitmap" #~ msgstr "Растровий X11 (XBM)" #~ msgid "X11 Pixmap" #~ msgstr "Карта кольорів X11 (XPM)" #~ msgid "Save Spectra Image" #~ msgstr "Зберегти спектр як зображення" #~ msgid "Image successfully written to %1" #~ msgstr "Зображення успішно записано до %1" #~ msgid "&Advanced <<" #~ msgstr "&Додатково <<" #~ msgid "&Advanced >>" #~ msgstr "&Додатково >>" #~ msgid "&Spectra..." #~ msgstr "&Спектри…" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Візуалізація спектральних даних з квантохімічних обчислень" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (см2/ммоль)" #~ msgid "Vibrational Analysis" #~ msgstr "Вібраційний аналіз" #~ msgid "No vibrational displacements exist." #~ msgstr "Немає коливальних рухів." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Візуалізація режимів коливань з квантохімічних обчислень" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Впорядкування %1 коливань за частотою…" #~ msgid "Super Cell Builder..." #~ msgstr "Побудова надкомірки…" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "У цьому документі містяться дані ізольованої молекули. Вам слід створити " #~ "елементарну комірку." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Побудова і показ кристалографічних надкомірок" #~ msgid "Molecular Orbitals..." #~ msgstr "Молекулярні орбіталі…" #~ msgid "Orbitals" #~ msgstr "Орбіталі" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Порожній" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Ван-дер-Ваальса" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Електронна щільність" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Помилка — невизначений тип" #~ msgid "Calculating VdW Cube" #~ msgstr "Розрахунок куба Ван-дер-Ваальса" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Обчислення МО %L1" #~ msgid "VdW" #~ msgstr "Ван-дер-Ваальс" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Підтримки поверхонь електростатичного потенціала ще не передбачено." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Обчислення молекулярних орбіталей та інших поверхонь" #~ msgid "&Nanotube Builder..." #~ msgstr "Побудова &нанотрубок…" #~ msgid "Nanotube Builder" #~ msgstr "Побудова нанотрубок" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Некоректна специфікація нанотрубки" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Потрібну вам нанотрубку не можна побудувати з такої причини:\n" #~ "\n" #~ "n або m має бути більшим за 1." #~ msgid "Insert Nanotube" #~ msgstr "Вставте дані нанотрубки" #~ msgid "SWCNT Builder" #~ msgstr "Побудова ВНТОС" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Побудувати вуглецеву нанотрубку з одинарною стінкою." #~ msgid "Building..." #~ msgstr "Побудова…" #~ msgid "Display point group symmetry." #~ msgstr "Групова симетрія щодо точки показу." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Віджет GL не було належним чином ініціалізовано для створення відеоданих" #~ msgid "GL widget has no molecule" #~ msgstr "У віджеті GL немає молекули" #~ msgid "Building video " #~ msgstr "Побудова відео " #~ msgid "Could not run mencoder." #~ msgstr "Не вдалося запустити mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Співвідношення сторін" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Розміри поточного зображення Avogadro дорівнюють %1x%2 пікселів, отже має " #~ "співвідношення сторін %3.\n" #~ "Ви можете не змінювати цього значення, наприклад, якщо ви маєте намір " #~ "отримати зображення POV-Ray\n" #~ "з розмірами %4x1000 пікселів, або вказати інше додатне значення,\n" #~ "наприклад, 1, якщо потрібно, щоб POV-Ray створив квадратне зображення, " #~ "зокрема 1000x1000 пікселів." #~ msgid "Save VRML rendered files" #~ msgstr "Зберегти оброблені файли VRML" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "З'єднатися" #~ msgid "Disconnect" #~ msgstr "Роз'єднатися" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Стеження Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Стеження за рухом за допомогою пультів Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Некоректний контекст OpenGL.\n" #~ "Ймовірно, щось повністю поламано у вашому налаштуванні OpenGL (чи " #~ "можливий запуск хоч якихось програм OpenGL?) або ви натрапили на ваду у " #~ "програмі." #~ msgid "Debug Information" #~ msgstr "Діагностична інформація" #~ msgid "FPS: %L1" #~ msgstr "Частота кадрів: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Розміри вікна перегляду: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 1 ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 2 ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 3 ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 4 ModelView : %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Атоми: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: номер %1 перевищує межі нумерації." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Читання файлів типу «%1» не підтримується." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Читання типу файлів «%1» не підтримується." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Спроба читання молекули з номером %1 з файла «%2» зазнала невдачі." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: номер %1 перевищує межі нумерації." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Запис файлів типу «%1» не підтримується." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Запис типу файлів «%1» не підтримується." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Не вдалося відкрити файл «%1» для читання." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Спроба заміни молекули з номером %1 у файлі «%2» зазнала невдачі." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Не вдалося відкрити файл %1 для читання." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Не вдалося відкрити файл %1 для запису." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Спроба зберегти файл молекули завершилася невдало: не вдалося " #~ "перейменувати початковий файл." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Спроба зберегти файл молекули завершилася невдало: не вдалося " #~ "перейменувати новий файл." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Спроба зберегти файл молекули завершилася невдало: не вдалося вилучити " #~ "старий файл." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Спроба запису молекули до файла «%1» завершилася невдало. Помилка у " #~ "функції OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Не вдалося відкрити файл %1 для запису." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Спроба запису конформерів до файла «%1» завершилася невдало." #~ msgid "Molecule %1" #~ msgstr "Молекула %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Невідомий рушій Python" #~ msgid "N/A" #~ msgstr "н/д" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: перевірка " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " — у скрипті не визначено клас «Engine»" #~ msgid " - no module" #~ msgstr " — не вказано модуля" #~ msgid "Unknown Python Extension" #~ msgstr "Невідомий додаток Python" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: перевірка " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " — у скрипті не визначено клас «Extension»" #~ msgid "Unknown Python Tool" #~ msgstr "Невідомий інструмент Python" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: перевірка " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " — у скрипті не визначено клас «Tool»" #~ msgid "Conformer %1" #~ msgstr "Конформер %1" #~ msgid "Tools" #~ msgstr "Інструменти" #~ msgid "Align:" #~ msgstr "Вирівнювати:" #~ msgid "Everything" #~ msgstr "Все" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Інструмент автоматичної оптимізації\n" #~ "\n" #~ "Навігаційні функції, пов’язані з клацанням на порожньому місці.\n" #~ "Ліва кнопка: \tобертати систему\n" #~ "Середня кнопка: змінити масштаб системи\n" #~ "Права кнопка: \tпересунути систему\n" #~ "\n" #~ "Додаткові функції у процесі\n" #~ "Ліва кнопка: \tнаведіть на атом і затисніть, щоб його пересунути." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Не вдалося встановити поле сил…" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "К-ть обмежень: %1" #~ msgid "Steps per Update:" #~ msgstr "Кроків на оновлення:" #~ msgid "Algorithm:" #~ msgstr "Алгоритм:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Молекулярна динаміка (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Молекулярна динаміка (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Можна рухати зафіксовані атоми" #~ msgid "Ignored atoms are movable" #~ msgstr "Можна рухати ігноровані атоми" #~ msgid "AutoOpt Molecule" #~ msgstr "Автооптимізація молекули" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Автоматична оптимізація геометричних параметрів молекул" #~ msgid "AutoOptimization Settings" #~ msgstr "Параметри автоматичної оптимізації" #~ msgid "Auto Rotation Tool" #~ msgstr "Інструмент автоматичного обертання" #~ msgid "x rotation:" #~ msgstr "x-обертання:" #~ msgid "x rotation" #~ msgstr "x-обертання" #~ msgid "y rotation:" #~ msgstr "y-обертання:" #~ msgid "y rotation" #~ msgstr "y-обертання" #~ msgid "z rotation:" #~ msgstr "z-обертання:" #~ msgid "z rotation" #~ msgstr "z-обертання" #~ msgid "Automatic rotation of molecules" #~ msgstr "Автоматичне обертання молекул" #~ msgid "AutoRotate Settings" #~ msgstr "Параметри автоматичного обертання" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Довжина зв’язку: %L1" #~ msgid " Show Angles" #~ msgstr " Показувати кути" #~ msgid "Snap-to Threshold: " #~ msgstr "Поріг прилипання: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Керування на основі зв’язків" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Керування довжинами зв’язків, кутів та кута обертання" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Параметри пересування на основі зв’язків" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Відстань (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Відстань (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Двограний кут: %1°" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Відстані:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Вимірювання довжин зв’язків, кутів та двогранних кутів" #~ msgid "Draw Bond" #~ msgstr "Намалювати зв’язок" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Малювання та редагування атомів та зв’язків" #~ msgid "Draw Settings" #~ msgstr "Параметри малювання" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Пересування, обертання та коригування позицій атомів та фрагментів" #~ msgid "Manipulate Settings" #~ msgstr "Параметри пересування" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "" #~ "Пересування, обертання та зміна масштабу у поточному вікні перегляду" #~ msgid "Navigate Settings" #~ msgstr "Параметри навігації" #~ msgid "Selection Mode:" #~ msgstr "Режим позначення:" #~ msgid "Atom/Bond" #~ msgstr "Атом/Зв’язок" #~ msgid "Residue" #~ msgstr "Залишок" #~ msgid "Add Center of Atoms" #~ msgstr "Додати центр атомів" #~ msgid "Change color of the atom" #~ msgstr "Змінити колір атома" #~ msgid "Change label of the atom" #~ msgstr "Змінити мітку атома" #~ msgid "Change label of the bond" #~ msgstr "Змінити мітку зв’язку" #~ msgid "Change radius of the atom" #~ msgstr "Змінити радіус атома" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Новий радіус, у %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Позначення атомів, залишків та молекул" #~ msgid "Symbol" #~ msgstr "Символ" #~ msgid "Bond Length" #~ msgstr "Довжина зв’язку" #~ msgid "Dihedral Angle" #~ msgstr "Двограний кут" #~ msgid "Z Matrix Editor..." #~ msgstr "Редактор Z-матриці…" #~ msgid "Z-Matrix" #~ msgstr "Z-матриця" #~ msgid "Create/edit a z-matrix" #~ msgstr "Створення/Редагування Z-матриці" #~ msgid "Z-Matrix Settings" #~ msgstr "Параметри Z-матриці" #~ msgid "Color residues by:" #~ msgstr "Розфарбувати залишки за:" #~ msgid "Amino Colors" #~ msgstr "кольорами амінів" #~ msgid "Hydrophobicity" #~ msgstr "гідрофобністю" #~ msgid "Axes:" #~ msgstr "Осі:" #~ msgid "Cartesian Axes" #~ msgstr "декартові вісі" #~ msgid "Orthogonal Axes" #~ msgstr "ортогональні вісі" #~ msgid "Axis 1:" #~ msgstr "Вісь 1:" #~ msgid "Axis 2:" #~ msgstr "Вісь 2:" #~ msgid "Axis 3:" #~ msgstr "Вісь 3:" #~ msgid "Origin:" #~ msgstr "Початок:" #~ msgid "Norm" #~ msgstr "Норма" #~ msgid "Preserve vector norms" #~ msgstr "Зберігати норми векторів" #~ msgid "Atom Radius:" #~ msgstr "Радіус атома:" #~ msgid "Bond Radius:" #~ msgstr "Радіус зв’язку:" #~ msgid "Shape" #~ msgstr "Форма" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Цикл" #~ msgid "Dipole:" #~ msgstr "Диполь:" #~ msgid "Custom Vector" #~ msgstr "Нетиповий вектор" #~ msgid "Custom:" #~ msgstr "Нетипова:" #~ msgid "Cut-off radius:" #~ msgstr "Радіус обрізання:" #~ msgid "Cut-off angle:" #~ msgstr "Кут обрізання:" #~ msgid "Rendering Engine:" #~ msgstr "Рушій обробки:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Текст:" #~ msgid "Symbol & Number in Group" #~ msgstr "Символ і номер у групі" #~ msgid "Symbol & Atom number" #~ msgstr "Символ і номер атома" #~ msgid "Partial charge" #~ msgstr "Частковий заряд" #~ msgid "Residue number" #~ msgstr "Номер залишку" #~ msgid "Custom data" #~ msgstr "Нетипові дані" #~ msgid "Change Font" #~ msgstr "Змінити шрифт" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Зсув мітки:" #~ msgid "Bond length" #~ msgstr "Довжина зв’язку" #~ msgid "Bond number" #~ msgstr "Номер зв’язку" #~ msgid "Bond order" #~ msgstr "Порядок зв’язку" #~ msgid "Lines" #~ msgstr "Лінії" #~ msgid "Radius:" #~ msgstr "Радіус:" #~ msgid "Include Nitrogens" #~ msgstr "Включити атоми азоту" #~ msgid "VdW Opacity:" #~ msgstr "Щільність поверхонь Ван-дер-Ваальса:" #~ msgid "Orbital:" #~ msgstr "Орбіталь:" #~ msgid "Render:" #~ msgstr "Відтворювати:" #~ msgid "Fill" #~ msgstr "Заповнення" #~ msgid "Points" #~ msgstr "Точки" #~ msgid "Draw Box:" #~ msgstr "Малювати рамку:" #~ msgid "Mapped Colors" #~ msgstr "Відображені кольори" #~ msgid "Positive" #~ msgstr "Додатна" #~ msgid "Negative" #~ msgstr "Від’ємна" #~ msgid "Show Atoms" #~ msgstr "Показувати атоми" #~ msgid "Animate Trajectory" #~ msgstr "Анімувати траєкторію" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Цикл" #~ msgid "Save as .avi..." #~ msgstr "Зберегти як .avi…" #~ msgid "Angstroms" #~ msgstr "Ангстреми" #~ msgid "Bohrs" #~ msgstr "Бори" #~ msgid "Fractional" #~ msgstr "Дроби" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, лише координати" #~ msgid "GAMESS Input #2" #~ msgstr "Вхідні дані GAMESS (2 варіант)" #~ msgid "Priroda Input" #~ msgstr "Вхідні дані Priroda" #~ msgid "Apply Changes" #~ msgstr "Застосувати зміни" #~ msgid "Cut All" #~ msgstr "Вирізати все" #~ msgid "Paste to the End" #~ msgstr "Вставити в кінець" #~ msgid "" #~ "\n" #~ "\n" #~ "

Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

" #~ msgstr "" #~ "\n" #~ "\n" #~ "

Тут можна вставити або " #~ "змінити координати атомів. Ви можете вставити будь-який фрагмент тексту, " #~ "що містить координати.

" #~ msgid "(None)" #~ msgstr "(Немає)" #~ msgid "Sort by " #~ msgstr "Впорядкувати за " #~ msgid "Number of atoms:" #~ msgstr "Кількість атомів:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Кількість обертових зв’язків:" #~ msgid "Ignore Atom" #~ msgstr "Ігнорування атома" #~ msgid "Fix Atom" #~ msgstr "Фіксація атома" #~ msgid "Fix Atom X" #~ msgstr "Зафіксувати координату X атома" #~ msgid "Fix Atom Y" #~ msgstr "Зафіксувати координату Y атома" #~ msgid "Fix Atom Z" #~ msgstr "Зафіксувати координату Z атома" #~ msgid "Torsion angle" #~ msgstr "Кут перекручування" #~ msgid "Save" #~ msgstr "Зберегти" #~ msgid "Load" #~ msgstr "Завантажити" #~ msgid "Atomic &identites:" #~ msgstr "Атомні &профілі:" #~ msgid "Surface Slab Builder" #~ msgstr "Інструмент побудови поверхневих плит" #~ msgid "Plane:" #~ msgstr "Площина:" #~ msgid "&Miller Indices:" #~ msgstr "&Індекси Міллера:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Попередження: використовуйте ненульові індекси Міллера" #~ msgid "Width (x)" #~ msgstr "Ширина (x)" #~ msgid "Width (y)" #~ msgstr "Ширина (y)" #~ msgid "Height (z)" #~ msgstr "Висота (z)" #~ msgid "length" #~ msgstr "довжина" #~ msgid "cell repeats" #~ msgstr "елементарних комірок" #~ msgid "&Translate " #~ msgstr "&Пересунути " #~ msgid "by arbitrary vector" #~ msgstr "на довільний вектор" #~ msgid "selected atom to unit cell center" #~ msgstr "позначений атом до центру елементарної комірки" #~ msgid "Translation vector:" #~ msgstr "Вектор перенесення:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Векторні одиниці:" #~ msgid "Cartesian" #~ msgstr "Декартові" #~ msgid "&Translate" #~ msgstr "&Перенести" #~ msgid "Crystal View Options" #~ msgstr "Параметри перегляду кристалів" #~ msgid "Unit Cell Repeats:" #~ msgstr "К-ть повторів елементарної комірки:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Малювати елементарні комірки?" #~ msgid "One" #~ msgstr "Одна" #~ msgid "All" #~ msgstr "Всі" #~ msgid "Color..." #~ msgstr "Колір..." #~ msgid "View Along:" #~ msgstr "Напрям перегляду:" #~ msgid "Default View" #~ msgstr "Типовий перегляд" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Індекси Міллера" #~ msgid "File Import..." #~ msgstr "Імпорт файла…" #~ msgid "Attempt to perceive bonds?" #~ msgstr "Намагатися виявити зв’язки?" #~ msgid "Setup Force Field" #~ msgstr "Налаштування поля сил" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Кількість кроків" #~ msgid "Algorithm" #~ msgstr "Алгоритм" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "α-спіраль" #~ msgid "Beta Sheet" #~ msgstr "Бета-лист" #~ msgid "Pi Helix" #~ msgstr "π-спіраль" #~ msgid "Phi:" #~ msgstr "φ:" #~ msgid "Psi:" #~ msgstr "ψ:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Кількість залишків:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Енергія (кДж/моль):" #~ msgid "Dipole Moment (D):" #~ msgstr "Дипольний момент (D):" #~ msgid "select Fragment" #~ msgstr "вибрати фрагмент" #~ msgid "Basic" #~ msgstr "Основні" #~ msgid "Comment" #~ msgstr "Коментар" #~ msgid "Frequency" #~ msgstr "Частота" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Формат" #~ msgid "z-Matrix" #~ msgstr "z-матриця" #~ msgid "z-Matrix compact" #~ msgstr "Компакт z-матриці" #~ msgid "Advanced" #~ msgstr "Додатково" #~ msgid "Basis Set" #~ msgstr "Базисний набір" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Доп. базисний набір" #~ msgid "Aux. ECP" #~ msgstr "Доп. ECP" #~ msgid "Relativistic" #~ msgstr "Релятивістський" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Порядок" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Випр. доп. базисний набір" #~ msgid "Corr. ECP" #~ msgstr "Випр. ECP" #~ msgid "Run type" #~ msgstr "Тип запуску" #~ msgid "MOs" #~ msgstr "МО" #~ msgid "Basis Sets" #~ msgstr "Базисні набори" #~ msgid "Printlevel" #~ msgstr "Рівень виведення" #~ msgid "Small" #~ msgstr "Малий" #~ msgid "Large" #~ msgstr "Великий" #~ msgid "Damping" #~ msgstr "Демпфування" #~ msgid "Factor" #~ msgstr "Коефіцієнт" #~ msgid "" #~ "

select only if no defaults are wanted

" #~ msgstr "" #~ "

Позначайте, лише якщо типове є небажаним.

" #~ msgid "Accuracy" #~ msgstr "Точність" #~ msgid "Tight SCF" #~ msgstr "Щільне SCF" #~ msgid "Very Tight SCF" #~ msgstr "Дуже щільне SCF" #~ msgid "Extreme SCF" #~ msgstr "Надзвичайне SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Зсув рівня " #~ msgid "Levelshift" #~ msgstr "Зсув рівня" #~ msgid "2nd Order" #~ msgstr "2-ий порядок" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "макс. к-ть ітерацій SCF" #~ msgid "SCF Type" #~ msgstr "Тип SCF" #~ msgid "restricted" #~ msgstr "обмежений" #~ msgid "unrestricted" #~ msgstr "необмежений" #~ msgid "restricted open-shell" #~ msgstr "обмежена відкрита оболонка" #~ msgid "SFitting" #~ msgstr "S-апроксимація" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Сітка" #~ msgid "FinalGrid" #~ msgstr "Остаточна сітка" #~ msgid "POV-Ray Export" #~ msgstr "Експорт до POV-Ray" #~ msgid "Select..." #~ msgstr "Вибрати…" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Використовувати згладжування всього зображення" #~ msgid "Antialias" #~ msgstr "Згладжування" #~ msgid "Set the background color to be transparent" #~ msgstr "Встановити прозорий колір тла" #~ msgid "Alpha transparency" #~ msgstr "Альфа-прозорість" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Обробити показ молекули безпосередньо за допомогою командного рядка POV-" #~ "Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Зберегти файл кодів POV-Ray після завершення обробки і показу" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Зберегти коди POV-Ray після показу" #~ msgid "Path:" #~ msgstr "Шлях:" #~ msgid "Abinit Input" #~ msgstr "Вхідні дані Abinit" #~ msgid "10.0" #~ msgstr "10,0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Декартові (Angstrom)" #~ msgid "Reduced" #~ msgstr "Спрощений" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Обрізання плоскої хвилі (Га):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Допуск за силами (Га/бор):" #~ msgid "Max lattice expansion:" #~ msgstr "Макс. розширення ґратки:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "зсув k-точок:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Кількість смужок:" #~ msgid "# k-point shifts:" #~ msgstr "# зсуви k-точок:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Обрізання ПХ подвійною ґраткою (Га):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Схема заповнення:" #~ msgid "SCF tolerance type:" #~ msgstr "Тип допуску SCF:" #~ msgid "Wave Function norm" #~ msgstr "Норма хвильової функції" #~ msgid "Total Potential" #~ msgstr "Загальний потенціал" #~ msgid "Relative Force" #~ msgstr "Відносна сила" #~ msgid "1 - semiconducting" #~ msgstr "1 — напівпровідна" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 — Фермі-Дірака" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 — холодне розмивання (Марцарі)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 — гаусове розмивання" #~ msgid "Smearing width (Ha):" #~ msgstr "Ширина розмивання (Га):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 — не пересувати іони " #~ msgid "1 - viscous damping" #~ msgstr "1 — в’язка амортизація" #~ msgid "2 - BFGS " #~ msgstr "2 — BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 — BFGS з енергією" #~ msgid "# Geometrical time steps:" #~ msgstr "# Геометричні кроки за часом:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Згладжування кінетичної енергії (Га):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Обчислити…" #~ msgid "Dalton Input" #~ msgstr "Вхідні дані Dalton" #~ msgid "Basics" #~ msgstr "Основи" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Додає введений вами текст до рядка заголовка файла вхідних даних,\n" #~ "щоб вам легше було визначити призначення файла." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Базовий набір:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Попла" #~ msgid "Jensen's polarization consistent" #~ msgstr "узгоджена поляризація Єнсена" #~ msgid "Dunning's correlation consistent" #~ msgstr "узгоджена кореляція Даннінга" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Функції кореляції внутрішніх електронів" #~ msgid "Diffuse functions" #~ msgstr "Функції розсіювання" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Безпосередній" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Запуск у паралельному режимі, якщо можливо. Можна використовувати для " #~ "обчислень\n" #~ "на основі хвильових функцій SCF та дискретного перетворення Фурьє. У " #~ "поточному\n" #~ "випуску Dalton передбачено підтримку лише MPI за умови належного збирання " #~ "та\n" #~ "встановлення. Кількість вузлів встановлюється за допомогою параметра «-N " #~ "#», що\n" #~ "передається скрипту «dalton»." #~ msgid "Parallel" #~ msgstr "Паралельний" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Специфікація сітки" #~ msgid "Partitioning Scheme:" #~ msgstr "Схема поділу:" #~ msgid "Becke" #~ msgstr "Бекке" #~ msgid "Becke (original)" #~ msgstr "Бекке (початкова)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Якість сітки:" #~ msgid "coarse" #~ msgstr "груба" #~ msgid "normal" #~ msgstr "звичайна" #~ msgid "fine" #~ msgstr "дрібна" #~ msgid "ultrafine" #~ msgstr "наддрібна" #~ msgid "Radial Scheme:" #~ msgstr "Радіальна схема:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Показати всі функціонали" #~ msgid "Property:" #~ msgstr "Властивість:" #~ msgid "Polarizability" #~ msgstr "Можливість поляризації" #~ msgid "Frequency Dependent" #~ msgstr "Залежна від частоти" #~ msgid "No. excitations:" #~ msgstr "Кількість збуджень:" #~ msgid "EFP Matches" #~ msgstr "ЕПФ-відповідності" #~ msgid "Group Label:" #~ msgstr "Мітка групи:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Додаткове налаштування" #~ msgid "Hessian" #~ msgstr "Гессіан" #~ msgid "Stat Point" #~ msgstr "Стаціонарна точка" #~ msgid "System" #~ msgstr "Система" #~ msgid "MO Guess" #~ msgstr "Початкове наближення МО" #~ msgid "Misc" #~ msgstr "Інше" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "Кількість поляризаційних функцій D на важких атомах:" #~ msgid "Read" #~ msgstr "Прочитати" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Хея-Вадта" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Дифузна S-функція на важких атомах" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Дифузна L-функція на важких атомах" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Двоекспоненційний валентний" #~ msgid "Dunning/Hay DZ" #~ msgstr "Даннінга/Хея DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Біннінґ/Кертіс, DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Триекспоненційний валентний" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA-валентний" #~ msgid "Hay/Wadt Valence" #~ msgstr "Валентний Хея/Вадта" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Тип ЕЯП:" #~ msgid "Default" #~ msgstr "Типовий" #~ msgid "Pople" #~ msgstr "Попла" #~ msgid "Pople N311" #~ msgstr "Попла N311" #~ msgid "Huzinaga" #~ msgstr "Хузінаги" #~ msgid "Hondo7" #~ msgstr "Хондо7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "Поляризаційних F-функцій на важких атомах" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "Поляризаційних функцій на легких атомах" #~ msgid "Polar:" #~ msgstr "Полярний:" #~ msgid "Max SCF Iterations:" #~ msgstr "Максимум ітерацій SCF:" #~ msgid "Gradient" #~ msgstr "Градієнт" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Сідлова точка" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Екстремальний градієнт" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Морокума" #~ msgid "Radiative Transition mom." #~ msgstr "Момент випромінювання переходу" #~ msgid "Spin Orbit" #~ msgstr "Спін-орбітальна взаємодія" #~ msgid "Finite Electric Field" #~ msgstr "Скінченне електричне поле" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Загальна оптимізація" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO-оптимізація" #~ msgid "Raman Intensities" #~ msgstr "Раманівські інтенсивності" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Немає (CI)" #~ msgid "Foster-Boys" #~ msgstr "Фостера-Бойса" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Едмістрона-Рюденберга" #~ msgid "Pipek-Mezey" #~ msgstr "Піпека-Мезея" #~ msgid "SCF Type:" #~ msgstr "Тип SCF:" #~ msgid "Localization Method:" #~ msgstr "Метод локалізації:" #~ msgid "Exec Type:" #~ msgstr "Тип виконання:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Визначник Ames (ALDET)" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Обмежений зайнятістю мультиактивний простір (ORMAS)" #~ msgid "CI Singles" #~ msgstr "CI з однократним збудженням" #~ msgid "Full Second Order CI" #~ msgstr "Повне КВ другого порядку (FSOCI)" #~ msgid "General CI" #~ msgstr "Загальне CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: лінеаризоване CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC з двократними збудженнями" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC з одно- і двократними збудженнями" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Звичайний запуск" #~ msgid "Check" #~ msgstr "Перевірка" #~ msgid "Debug" #~ msgstr "Зневаджування" #~ msgid "Molecule Charge:" #~ msgstr "Заряд молекули:" #~ msgid "Run Type:" #~ msgstr "Тип обчислень:" #~ msgid "Use MP2" #~ msgstr "Використовувати MP2" #~ msgid "Use DFT" #~ msgstr "Використовувати ДПФ" #~ msgid "# of Z-Matrix Variables" #~ msgstr "кількість змінних Z-матриці" #~ msgid "Ǻngstrom" #~ msgstr "Ангстрем" #~ msgid "Order of Principal Axis:" #~ msgstr "Порядок головної вісі:" #~ msgid "Coordinate Type:" #~ msgstr "Тип координат:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Унікальні декартові координати" #~ msgid "Hilderbrant internals" #~ msgstr "Внутрішні координати Гільдербранта" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Z-матриця MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Використовувати симетрію" #~ msgid "Point Group:" #~ msgstr "Точкова група:" #~ msgid "Minutes" #~ msgstr "хвилини" #~ msgid "Hours" #~ msgstr "години" #~ msgid "Days" #~ msgstr "дні" #~ msgid "Weeks" #~ msgstr "тижні" #~ msgid "Years" #~ msgstr "роки" #~ msgid "Millenia" #~ msgstr "тисячоліття" #~ msgid "MegaWords" #~ msgstr "мегаслів" #~ msgid "MegaBytes" #~ msgstr "мегабайтів" #~ msgid "GigaWords" #~ msgstr "гігаслів" #~ msgid "GigaBytes" #~ msgstr "гігабайтів" #~ msgid "Force Parallel Methods" #~ msgstr "Використовувати паралельні групи" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Створити core-файл у разі переривання" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Пам'ять:" #~ msgid "Diagonalization Method:" #~ msgstr "Метод діагоналізації:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Тип балансування при паралельному виконанні" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Цикл" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Наступне значення" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Використовувати зовнішнє представлення даних для повідомлень" #~ msgid "Initial Guess:" #~ msgstr "Початкове наближення:" #~ msgid "Hückel" #~ msgstr "Хюккель" #~ msgid "HCore" #~ msgstr "Голі ядра" #~ msgid "MO Read ($VEC)" #~ msgstr "Прочитані МО ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Збережені МО (DICTNRY)" #~ msgid "Skip" #~ msgstr "Пропустити" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Обертати α- і β-орбіталі" #~ msgid "Print the Initial Guess" #~ msgstr "Виводити початкове наближення" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Інтерфейс GAMESS до інших програм" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Використовувати вказаний режим перевірки" #~ msgid "Hondo 8.2" #~ msgstr "Хондо 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (версія UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Сольватувати водою" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Створення природних орбіталей УВЧ" #~ msgid "Direct SCF" #~ msgstr "Пряме SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Обчислити лише зміни фокіана (FDIFF)" #~ msgid "Slater exchange" #~ msgstr "Слейтера (обмінний)" #~ msgid "Becke 1988 exchange" #~ msgstr "Бекке 1988 (обмінний)" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Воско-Вілк-Нусе (VWN5) (кореляційний)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Лі-Янг-Парр (кореляційний)" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Слейтера (обмінний) + VWN (кореляційний)" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Бекке (обмінний) + VWN5 (кореляційний)" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Бекке (обмінний) + LYP (кореляційний)" #~ msgid "Gill 1996 exchange" #~ msgstr "Гілл 1996 (обмінний)" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Педрю-Бурке-Ернзергоф (PBE) (обмінний)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: однопараметричний прогресивний (кореляційний)" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Слейтера + Лі-Янг-Парр (LYP) (кореляційний)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Слейтера + однопараметричний (кореляційний)" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Бекке (обмінний) + однопараметричний (кореляційний)" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Гілл (обмінний) + VWN5 (кореляційний)" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Гілл (обмінний) + LYP (кореляційний)" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE (обмінний) + VWN6 (кореляційний)" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE (обмінний) + LYP (кореляційний)" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE (обмінний) + однопараметричний (кореляційний)" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF і Бекке (обмінний) + LYP (кореляційний)" #~ msgid "Grid-Free" #~ msgstr "Без сітки" #~ msgid "DFT Functional:" #~ msgstr "Функціонал ДПФ:" #~ msgid "AO Integral Storage" #~ msgstr "Зберігання інтегралів AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Дублювати на кожному вузлі" #~ msgid "Distributed Across All Nodes" #~ msgstr "Розподілити за всіма вузлами" #~ msgid "words" #~ msgstr "слів" #~ msgid "Compute MP2 Properties" #~ msgstr "Обчислити властивості для MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Межа зберігання інтегралів:" #~ msgid "Use Localized Orbitals" #~ msgstr "Використовувати локалізовані орбіталі" #~ msgid "# of Core Electrons:" #~ msgstr "Кількість внутрішніх електронів:" #~ msgid "Transformation Method" #~ msgstr "Метод перетворення" #~ msgid "Two Phase Bin Sort" #~ msgstr "Двофазове бінарне впорядкування" #~ msgid "Segmented Transformation" #~ msgstr "Сегментоване перетворення" #~ msgid "Numeric" #~ msgstr "Числовий" #~ msgid "Double Differenced Hessian" #~ msgstr "З подвійним чисельним диференціюванням" #~ msgid "Print Internal Force Constants" #~ msgstr "Вивести внутрішні силові сталі" #~ msgid "Displacement Size:" #~ msgstr "Розмір зсуву:" #~ msgid "Purify Hessian" #~ msgstr "Проектувати гессіан" #~ msgid "Frequency Scale Factor:" #~ msgstr "Коефіцієнт масштабування частот:" #~ msgid "bohrs" #~ msgstr "бор" #~ msgid "Initial Hessian" #~ msgstr "Початковий гессіан" #~ msgid "Guess (+ define)" #~ msgstr "Наближення (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Прочитати (з $HESS)" #~ msgid "Update Step Size" #~ msgstr "Змінювати крок" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Виводити орбіталі на кожній ітерації" #~ msgid "Stationary Point" #~ msgstr "Стаціонарна точка" #~ msgid "Initial:" #~ msgstr "Початковий:" #~ msgid "Newton-Raphson" #~ msgstr "Ньютона-Рафсона" #~ msgid "Rational Function Optimization" #~ msgstr "Раціональна оптимізація" #~ msgid "Quadratic Approximation" #~ msgstr "Квадратична апроксимація" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Шлегель (квазі-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Оптимізація з обмеженнями" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Переобчислювати гессіан кожні:" #~ msgid "Follow Mode:" #~ msgstr "Режим слідкування:" #~ msgid "GAMESS-UK Input" #~ msgstr "Вхідні дані GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Вхідні дані GAMESS-UK, створені за допомогою Avogadro" #~ msgid "Transition State Search" #~ msgstr "Пошук перехідних станів" #~ msgid "Basis:" #~ msgstr "Базис:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-матриця" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "У режимі безпосереднього показу інтеграли не зберігаються на диску, а " #~ "обчислюються у разі потреби.\n" #~ "У сучасних системах, де процесори швидкі, а доступ до дисків повільний, " #~ "безпосередній режим показу може бути швидшим." #~ msgid "Run in direct mode:" #~ msgstr "Запуск у безпосередньому режимі:" #~ msgid "Gaussian Input" #~ msgstr "Вхідні дані Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Стандартний" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Контрольна точка:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-матриця (компактна)" #~ msgid "MOLPRO Input" #~ msgstr "Вхідні дані MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Версія Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Вхідні дані MOPAC" #~ msgid "Quartet" #~ msgstr "Квартет" #~ msgid "Quintet" #~ msgstr "Квінтет" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Вхідні дані NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Вхідні дані Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Вхідні дані TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Без обмежень" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "ні" #~ msgid "yes" #~ msgstr "так" #~ msgid "Dispersion:" #~ msgstr "Дисперсія:" #~ msgid "Load Shaders" #~ msgstr "Завантаження шейдерів" #~ msgid "Shader Name:" #~ msgstr "Назва шейдера:" #~ msgid "Vertex Shader:" #~ msgstr "Вершинний шейдер:" #~ msgid "Fragment Shader:" #~ msgstr "Шейдер фрагментів:" #~ msgid "Assign Shader" #~ msgstr "Призначити шейдер" #~ msgid "Display Type:" #~ msgstr "Тип показу:" #~ msgid "Font:" #~ msgstr "Шрифт:" #~ msgid "Change Font..." #~ msgstr "Змінити шрифт…" #~ msgid "Foreground:" #~ msgstr "Текст:" #~ msgid "New..." #~ msgstr "Створити…" #~ msgid "Rename..." #~ msgstr "Перейменувати…" #~ msgid "&Schemes:" #~ msgstr "С&хеми:" #~ msgid "&DPI:" #~ msgstr "&Роздільність:" #~ msgid "&Width:" #~ msgstr "&Ширина:" #~ msgid "&Height" #~ msgstr "&Висота" #~ msgid "cm" #~ msgstr "см" #~ msgid "mm" #~ msgstr "мм" #~ msgid "in" #~ msgstr "дюймів" #~ msgid "px" #~ msgstr "пікселів" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Використовувати оптимізоване значення розміру шрифту, замість вказаного у " #~ "схемі (розміри точок на екрані та на зображенні можуть значно " #~ "відрізнятися!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Автокоригування роз&мірів шрифту" #~ msgid "Spectra Tab" #~ msgstr "Вкладка спектрів" #~ msgid "&Gaussian Width:" #~ msgstr "Ширина &гаусового піка:" #~ msgid "&Label peaks" #~ msgstr "&Мітки піків" #~ msgid "Rotatory Strength type:" #~ msgstr "Тип інтенсивності обертання:" #~ msgid "Energy units:" #~ msgstr "Одиниці енергії:" #~ msgid "Density units" #~ msgstr "Одиниці щільності" #~ msgid "Fermi Energy: " #~ msgstr "Енергія Фермі: " #~ msgid "States / Cell" #~ msgstr "Станів/Комірка" #~ msgid "States / Atom" #~ msgstr "Станів/Атом" #~ msgid "States / Valence electron" #~ msgstr "Станів/Валентний електрон" #~ msgid "Fermi energy at zero" #~ msgstr "Енергія Фермі при нулі" #~ msgid "Scale integrated DOS" #~ msgstr "Інтегрована до масштабу щільність станів" #~ msgid "Show integrated DOS" #~ msgstr "Показувати інтегровану щільність станів" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Одиниці в&иміру за Y:" #~ msgid "Scaling Type:" #~ msgstr "Тип масштабування:" #~ msgid "Relative" #~ msgstr "Відносний" #~ msgid "Laser Wavenumber:" #~ msgstr "Хвильове число лазера:" #~ msgid " cm⁻¹" #~ msgstr " см⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Ядро:" #~ msgid "Gaussian &Width:" #~ msgstr "Ширина г&аусового піка:" #~ msgid "Reset &Plot Axes" #~ msgstr "Відновити &вісі графіка" #~ msgid "Label Peaks:" #~ msgstr "Мітки піків:" #~ msgid "ppm" #~ msgstr "м.д." #~ msgid "Molecular Vibrations" #~ msgstr "Молекулярні коливання" #~ msgid "Filter: " #~ msgstr "Фільтр: " #~ msgid "km/mol" #~ msgstr "км/моль" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (см⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (км/моль)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Активність (A⁴/а.о.м.)" #~ msgid "&Show Spectra..." #~ msgstr "&Показати спектри…" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "коливання вищої частоти буде відтворено швидшими рухами" #~ msgid "Animation speed set by frequency" #~ msgstr "Швидкість анімації задається частотою" #~ msgid "Display force &vectors" #~ msgstr "Показувати &вектори сил" #~ msgid "&Normalize displacements" #~ msgstr "&Нормалізувати зміщення" #~ msgid "&Recalculate All" #~ msgstr "П&ереобчислити все" #~ msgid "Default &Quality:" #~ msgstr "Типова &якість:" #~ msgid "Show occupied orbitals first" #~ msgstr "Показувати спочатку заповнені орбіталі" #~ msgid "Limit orbital precalculations to " #~ msgstr "Обмежити попереднє обчислення орбіталей " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "орбіталями поряд з ВЗМО/НВМО" #~ msgid "Surface Type:" #~ msgstr "Тип поверхні:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Низька" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Середня" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Висока" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Дуже висока" #~ msgid "Isosurface cutoff value" #~ msgstr "Граничне значення поверхні межі" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "У типі показу:" #~ msgid "New Display" #~ msgstr "Нове вікно показу" #~ msgid "Advanced..." #~ msgstr "Додатково…" #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Довжина:" #~ msgid "Uni&t:" #~ msgstr "&Одиниця:" #~ msgid "periodic units" #~ msgstr "періодичні одиниці" #~ msgid "angstrom" #~ msgstr "ангстреми" #~ msgid "bohr radii" #~ msgstr "радіуси Бора" #~ msgid "nanometers" #~ msgstr "нанометри" #~ msgid "&Cap with hydrogen" #~ msgstr "&Завершувати атомами водню" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Обробка може бути тривалою. Якщо потрібні лише координати\n" #~ "атомів (скажімо, для квантово-механічних розрахунків),\n" #~ "достатньо однозв’язкового представлення." #~ msgid "Find &double bonds" #~ msgstr "Знайти &подвійні зв’язки" #~ msgid "Molecular Symmetry" #~ msgstr "Молекулярна симетрія" #~ msgid "VRML Export" #~ msgstr "Експорт до VRML" #~ msgid "Scale (mm/Å):" #~ msgstr "Шкала (мм/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Найменша сфера (у мм): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Найвужчий циліндр (у мм): " #~ msgid "Calculate Size..." #~ msgstr "Обчислити розмір…" #~ msgid "Display visual cues" #~ msgstr "Показувати візуальні підказки" #~ msgid "Python Settings" #~ msgstr "Параметри Python" #~ msgid "Z Matrix Editor" #~ msgstr "Редактор Z-матриць" OpenChemistry-avogadrolibs-ceb949f/i18n/vi.po000066400000000000000000011506571516317240700212460ustar00rootroot00000000000000# Vietnamese translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Tsuki , 2022. # Minh P , 2022. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Vietnamese \n" "Language: vi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Phát sinh đầu vào" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "Tiếp tục" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Đóng" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "Không rõ" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Không có phân tử nào được cài đặt trong BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Không có tên tệp nào được đặt trong BackgroundFileFormat!" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hi-đrô" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Hê-li" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Li-ti" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Be-ri" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Bo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Các-bon" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Ni-tơ" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Ô-xi" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Flo" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Nê-ông" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Na-tri" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Ma-giê" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Nhôm" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Si-lic" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phốt-pho" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Lưu huỳnh" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Clo" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "A-gôn" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Ka-li" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Can-xi" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scan-đi" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Ti-tan" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Va-na-đi" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Crôm" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Măng-gan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Sắt" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cô-ban" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Ni-ken" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Đồng" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Kẽm" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Ga-li" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Giéc-ma-ni" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "A-sen" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Se-len" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Brôm" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Crip-tôn" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Ru-bi-đi" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strông-ti" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Y-tri" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zi-cô-ni" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niô-bi" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Mô-lip-đen" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Tếch-ne-xi" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ru-te-ni" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rô-đi" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Pa-la-đi" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Bạc" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Ca-đi-mi" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "In-đi" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Thiếc" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "An-ti-moan" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Te-lua" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "I-ốt" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xe-nôn" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Xê-di" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Ba-ri" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lan-tan" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Xê-ri" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Pra-seo-đi" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Nê-ô-đi" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Prô-mê-ti" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Sa-ma-ri" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Êu-rô-pi" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Ga-đô-lin" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Téc-bi" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Đi-prô-xi" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Hô-mi" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Éc-bi" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thu-li" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Y-téc-bi" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lu-te-ti" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Haf-ni" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tan-tan" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Von-fram" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rê-ni" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Ô-si-mi" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "I-ri-đi" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Bạch kim" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Vàng" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Thủy ngân" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Ta-li" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Chì" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bít-mút" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Pô-lô-ni" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "As-ta-tin" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Ra-đôn" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Fran-xi" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Ra-đi" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Ác-ti-ni" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Tho-ri" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Prô-tác-ti-ni" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "U-ra-ni" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Nép-tu-ni" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plu-tô-ni" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "A-me-ri-xi" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Quy-ri" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Béc-kơ-li" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Ca-li-fo-ni" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Anh-xtanh-ni" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Féc-mi" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Men-đe-le-vi" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nô-be-li" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lo-ren-xi" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rơ-zơ-pho-đi" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Đúp-ni" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgi" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "Bohri" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassi" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitneri" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadti" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Rơng-ghe-ni" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Cô-péc-ni-xi" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "Duyệt tìm" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Tất cả các file" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "Tựa đề" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 #, fuzzy msgid "Theory" msgstr "Lý thuyết" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Cơ sở" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Thanh và cầu" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Tranh vui" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "Lực" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Nhãn" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Mặt" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "Van der Waals" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Khung dây" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "Chưa đặt tên" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Bảng tuần hoàn" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "Thêm nguyên tử" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "Bỏ nguyên tử" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "Chỉnh nguyên tử hi-đrô" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Thay đổi nguyên tố" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "Thay đổi nguyên tố" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "Thêm liên kết" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "Xóa liên kết" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "Thứ tự liên kết" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "Thay đổi thứ tự liên kết" #: qtgui/rwmolecule.cpp:395 #, fuzzy msgid "Update Bonds" msgstr "Bắt các điểm nút liên kết" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 #, fuzzy msgid "Settings" msgstr "Cài đặt" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "&Tập tin" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&Xuất ra" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "&Dựng" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "Nguyên tố:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "Dóng hàng" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "Trục:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Dóng hàng các phân tử theo một trục Đề-các" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "Lỗi" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "Lỗi" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "Thành công" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 #, fuzzy msgid "By Custom Color…" msgstr "Màu tự chọn…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "Nguyên tố" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 #, fuzzy msgid "By Partial Charge…" msgstr "Điện tích từng phần…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "cấu trúc thứ cấp" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "A-xit a-min" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "Phổ" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "&Xem" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "Tối ưu hoá" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "Phương pháp:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "Bắt đầu" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "Dừng" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "Tối ưu hình học" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 #, fuzzy msgid "Molecular Dynamics" msgstr "Động lực học phân tử" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Thể hiện các liên kết bội" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Thao tác với liên kết" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Thao tác với liên kết" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "Liên kết" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Trục chính" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ruy băng" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Tranh vui" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Tranh vui" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "Tiện ích mở rộng" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "Đoạn mã lệnh" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 #, fuzzy msgid "Other…" msgstr "Khác…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "Tính toán" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 #, fuzzy msgid "Angle" msgstr "Angle" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "Kiểu" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "Nguyên tử 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "Nguyên tử 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "Nguyên tử 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "Nguyên tử 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Trình biên tập toạ…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Trình biên tập toạ" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Tên nguyên tố." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Ký hiệu nguyên tố." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Các chỉ số nguyên tử." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Số hiệu nguyên tử." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "Sao chép" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "Xoá" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "Năng lượng" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "Tối ưu hình học" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "Cơ học phân tử" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "Gra-đien liên hợp" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Dốc xuống nhất" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Mô-men lưỡng cực" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "Vẽ" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "Vẽ nguyên tử" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Khoảng cách:" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "Đơn" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "Đôi" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "Ba" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&Nhập" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Lấy từ PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "Cấu trúc hoá học để tải xuống." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "Việc tải qua mạng đã thất bại" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "Hết hạn giờ nhập mạng hoặc một lỗi khác." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Không tìm được phân tử đã cho: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Lấy từ PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Thiết lập…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "Tối ưu trường lực" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Đầu vào GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "Năng lượng điểm đơn" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "Tạo EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "Không" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Chỉnh nguyên tử hi-đrô" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "Thêm hi-đrô" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Bỏ hi-đrô" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "&hi-đrô" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "hi-đrô" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "&Chèn" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:161 #, fuzzy msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Phân tử…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "Chèn đoạn" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Chèn đoạn" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Chèn các đoạn phân tử để tạo thành phân tử lớn" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "Màu:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "ID duy nhất" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "Nguyên tố" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "Nhãn của nguyên tử:" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "Độ đục:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "Không có mô tả" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Thao tác" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "Đo" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "Góc nhị diện:" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 #, fuzzy msgid "&Molecular…" msgstr "Phân tử…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "&Thuộc tính" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "Thuộc tính phân tử" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "Thuộc tính của phân tử" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "Xuất ra CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "Không thể mở file để ghi dữ liệu." #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 #, fuzzy msgid "Export…" msgstr "Xuất ra…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Di chuyển" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Công cụ điều hướng" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "Tên hoá học" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 #, fuzzy msgid "Configure Force Field…" msgstr "Thiết lập trường lực…" #: qtplugins/openbabel/openbabel.cpp:60 #, fuzzy msgid "Conformer Search…" msgstr "Tìm đồng phân…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:78 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Thêm hi-đrô cho pH…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "Bỏ hi-đrô" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Tối ưu hình học (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, fuzzy, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Trong file quỹ đạo %1 không có sự thống nhất về số phân tử trong nguyên tử " "hiện tại." #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Thêm hi-đrô (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "Thêm hi-đrô cho pH" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Bỏ hi-đrô (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "Trạng thái" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "Phát sinh đầu vào" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Liên kết động" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "Tạm ngừng" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "file video (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "Lưu file" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "Hóa trị" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "Màu" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "Nguyên tử" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "Bắt đầu nguyên tử" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "Kết thúc nguyên tử" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "Thứ tự liên kết" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Chiều dài (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "cấu trúc thứ cấp" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "Đỉnh" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "Góc (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Xoắn 3-10" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Thuộc tính của nguyên tử…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Thuộc tính của liên kết…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "Thuộc tính góc…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Thuộc tính xoắn…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "Cửa sổ hiện các thuộc tính nguyên tử, liên kết, góc và xoắn." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Thuộc tính" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "Thuộc tính của nguyên tử" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "Thuộc tính của liên kết" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "Thuộc tính góc" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "Thuộc tính xoắn" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "Thuộc tính đồng phân" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Chọn" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "Chọn" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Lựa chọn" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "Phổ" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "Hồng ngoại" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "Mật độ trạng thái (DOS)" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "Chọn màu nền" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "Chọn màu vật thể" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "Chọn màu phổ tính toán" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "Chọn màu phổ được nhập" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "Số sóng (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "Năng lượng (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO (o. phân tử cao nhất bị chiếm)" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO (o. phân tử thấp nhất bị chiếm)" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital phân tử" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Mật độ electron" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Orbital phân tử %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "Tạo các mặt…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "Tính mật độ electron" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "Tên nhóm %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "Bắt đầu hình động" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "Dừng hình động" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Rung động" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "Không khởi động được %1" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Biểu mẫu" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Chèn đoạn…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Trường lực:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Thành công!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Điện tích từng phần" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "Kiểu:" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "Thêm" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "OK" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Dạng thức:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "Xóa" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Áp dụng" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Thiết lập lại tất cả" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Mặc định" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Lưu file…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tựa đề:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Tính toán:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Lặp lại B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Lặp lại C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Thứ tự liên kết:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Đầu vào GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Trong:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Với:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Điện tích:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "tên" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "D" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "Khác" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "Đơn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "Đôi" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "A-xit aspartic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Xys-tê-in" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "A-xit glutamic" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Gly-xin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Xê-rin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Prô-lin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenyl-alanin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Ly-xin" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "Đầu N:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "Đầu C:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "Chuỗi thẳng" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "Gốc" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Tìm đồng phân" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Phương pháp" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Tìm rotor một cách tự động" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Tìm rotor theo cách ngẫu nhiên" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Tìm rotor theo trọng số" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Dốc xuống nhất" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Trường lực:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Tham khảo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Đơn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Đôi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ràng buộc:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Bước sóng:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "cộng hóa trị" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Bề ngoài" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Phổ được nhập:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "Hiển thị" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Nhập phổ thực nghiệm dưới dạng số liệu phân cách bởi dấu Tab, sau đó trình " "bày lên bản vẽ." #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Nền:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "Đón&g" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Thao tác:\n" "Nháy đúp chuột trái: Hồi phục các giới hạn trục mặc định\n" "Nháy chuột phải + di: Dịch chuyển bản vẽ\n" "Nháy chuột giữa + di: Phóng to vào vùng được chọn\n" "Lăn bánh xe chuột: Thu phóng ở vị trí con trỏ" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Tạo các mặt" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Tô màu theo:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Độ phân giải:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Nhạt" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Phân tử" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Nhóm" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Nhóm:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Nguyen Quang Chien, ,Launchpad " "Contributions:,Avogadro Team,Nguyen Quang Chien, ,Launchpad " "Contributions:,Avogadro Team,Nguyen Quang Chien, ,Launchpad " "Contributions:,Avogadro Team,Nguyen Quang Chien, ,Launchpad " "Contributions:,Avogadro Team,Nguyen Quang Chien, ,Launchpad " "Contributions:,Avogadro Team,Nguyen Quang Chien" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-devel@lists.sourceforge.net," #, fuzzy #~ msgid "Angles:" #~ msgstr "Angle:" #, fuzzy #~ msgid " °" #~ msgstr " °" #~ msgid "Cancel" #~ msgstr "Hủy bỏ" #~ msgid "°" #~ msgstr "°" #, fuzzy #~ msgid " " #~ msgstr " " #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "Cửa sổ hiện các thuộc tính nguyên tử, liên kết, góc và xoắn." #, fuzzy #~ msgid "&Analysis" #~ msgstr "Giải tích" #~ msgid "..." #~ msgstr "…" #~ msgid "&Import..." #~ msgstr "&Nhập..." #~ msgid "Set Color..." #~ msgstr "Đặt màu..." #~ msgid "&Export..." #~ msgstr "&Xuất..." #~ msgid "&Load data..." #~ msgstr "&Tải dữ liệu..." #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Điện tích từng phần" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Hình động" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Tối ưu hình học" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Các chỉ số nguyên tử" #, fuzzy #~ msgid "By Distance" #~ msgstr "Khoảng cách" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Các chỉ số nguyên tử" #, fuzzy #~ msgid "&Copy" #~ msgstr "Chép tất cả" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Điện tích phân tử:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Khối lượng phân tử (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Công thức hoá học:" #~ msgid "Number of Atoms:" #~ msgstr "Số nguyên tử:" #~ msgid "Number of Bonds:" #~ msgstr "Số liên kết:" #~ msgid "TODO" #~ msgstr "CẦN LÀM" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Bước nhảy:" #, fuzzy #~ msgid "In." #~ msgstr "Trong:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Đoạn..." #~ msgid "Other..." #~ msgstr "Khác..." #, fuzzy #~ msgid "Filename" #~ msgstr "Tên file:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Vẽ cấu trúc thứ cấp của prô-tê-in" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Di chuyển" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Di chuyển" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Tên nguyên tố" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Góc nhị diện:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Phân tử" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Không có phân tử nào được đặt" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Thêm hi-đrô cho pH..." #~ msgid "Atom Properties..." #~ msgstr "Thuộc tính của nguyên tử..." #~ msgid "Bond Properties..." #~ msgstr "Thuộc tính của liên kết..." #~ msgid "Angle Properties..." #~ msgstr "Thuộc tính góc..." #~ msgid "Torsion Properties..." #~ msgstr "Thuộc tính xoắn..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Thuộc tính phân tử..." #~ msgid "Create Surfaces..." #~ msgstr "Tạo bề mặt..." #~ msgid "Insert Fragment..." #~ msgstr "Thêm đoạn..." #~ msgid "Theory:" #~ msgstr "Lý thuyết:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Khoảng cách (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Xoay được" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Đồng phân %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Đồng phân %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Đồng phân %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Xoắn %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Năng lượng (kJ/mol):" #~ msgid "Yes" #~ msgstr "Có" #~ msgid "No" #~ msgstr "Không" #, fuzzy #~ msgid "Import" #~ msgstr "Nhập" #~ msgid "Insert SMILES" #~ msgstr "Chèn SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Chèn các đoạn SMILES:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Chèn đoạn" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Chèn các đoạn phân tử để tạo thành phân tử lớn" #~ msgid "E&xtensions" #~ msgstr "&Phần mở rộng" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Tối ưu hình học" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Tối ưu hoá hình học" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Thêm hi-đrô" #, fuzzy #~ msgid "Stopped" #~ msgstr "Dừng" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Mặt" #~ msgid "Color by Index" #~ msgstr "Chọn màu theo chỉ số" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Chọn màu theo chỉ số (đỏ, cam, vàng, lục, lam, tím)." #~ msgid "Color by Partial Charge" #~ msgstr "Chọn màu theo điện tích từng phần" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Chọn màu theo điện tích từng phần nguyên tử (lam = điện dương, đỏ = điện " #~ "âm." #~ msgid "Set custom colors for objects" #~ msgstr "Đặt màu tự chọn cho các vật" #~ msgid "Color by Distance" #~ msgstr "Chọn màu theo khoảng cách" #~ msgid "Color by distance from the first atom." #~ msgstr "Chọn màu theo khoảng cách từ nguyên tử thứ nhất." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Chọn màu theo nguyên tố (các-bon = xám, ô-xi = đỏ, ...)." #~ msgid "SMARTS Pattern:" #~ msgstr "Mẫu SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Màu để đánh dấu:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Tô màu theo mẫu SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtri" #~ msgid "Ununpentium" #~ msgstr "Ununpenti" #~ msgid "Ununseptium" #~ msgstr "Ununsepti" #~ msgid "Ununoctium" #~ msgstr "Ununocti" #~ msgid "Engines" #~ msgstr "Động cơ" #~ msgid "Axes" #~ msgstr "Trục" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Biểu diễn các thành phần cơ bản bằng hình cầu (nguyên tử) và thanh nối " #~ "(liên kết)" #~ msgid "Hydrogen Bond" #~ msgstr "Liên kết hi-đrô" #~ msgid "Renders hydrogen bonds" #~ msgstr "Vẽ các liên kết hi-đrô" #~ msgid "Select Atom Labels Color" #~ msgstr "Chọn màu cho nhãn nguyên tử" #~ msgid "Select Bond Labels Color" #~ msgstr "Chọn màu cho nhãn liên kết" #~ msgid "Select Bond Labels Font" #~ msgstr "Chọn phông chữ cho nhãn liên kết" #~ msgid "Polygon" #~ msgstr "Đa giác" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Vẽ nguyên tử dưới dạng tứ giác, bát giác và các đa giác khác" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Vẽ trục prô-tê-in dưới dạng ruy-băng" #~ msgid "Ring" #~ msgstr "Vòng" #~ msgid "Renders rings with colored planes" #~ msgstr "Vẽ vòng với các mặt phẳng màu" #~ msgid "Simple Wireframe" #~ msgstr "Khung dây đơn giản" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Vẽ liên kết như các dây (đường), phù hợp với các nguyên tử lớn" #~ msgid "Van der Waals Spheres" #~ msgstr "Hình cầu Van der Waals" #~ msgid "Stick" #~ msgstr "Thanh" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Mặt mức mật độ electron = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "Mặt mức %1 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Vẽ liên kết như các sợi dây (đường thẳng), phù hợp với các (sinh) phân tử " #~ "lớn" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Thêm phần mở rộng .avi" #~ msgid "Animation..." #~ msgstr "Hình động..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Không thể đọc định dạng file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Việc đọc file quỹ đạo %1 không thành công." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Phải chỉ định tên một file .avi hợp lệ" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Khiển tố GL không được cài đặt đúng để lưu video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Tên file video không hợp lệ. Phải kèm theo đầy đủ đường dẫn" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Tên file video không hợp lệ. Phải kèm theo đầy đủ đường dẫn và tên file, " #~ "kết thúc bởi .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Làm chuyển động các quỹ đạo, phản ứng và rung động." #~ msgid "Cartesian Editor" #~ msgstr "Trình biên tập Đề-các" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Chưa có ô đơn vị nào được chỉ định cho phân tử -- không thể sử dụng toạ " #~ "độ phân số." #~ msgid "Cartesian Editor..." #~ msgstr "Trình biên tập Đề-các..." #~ msgid "Cartesian editor" #~ msgstr "Trình biên tập Đề-các" #~ msgid "Number of atoms: %1" #~ msgstr "Số nguyên tử: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Số liên kết xoay được: %1" #~ msgid "Add constraint" #~ msgstr "Thêm ràng buộc" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất một nguyên tử để thêm được ràng buộc" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất hai nguyên tử để thêm được ràng buộc liên " #~ "kết" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất ba nguyên tử để thêm được ràng buộc về góc" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất bốn nguyên tử để thêm được ràng buộc về " #~ "độ xoắn" #~ msgid "Trajectory..." #~ msgstr "Quỹ đạo..." #~ msgid "Open chemical file format" #~ msgstr "Mở định dạng file hoá học" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Các files hoá học (*.xyz)" #~ msgid "Import Trajectory" #~ msgstr "Nhập quỹ đạo" #~ msgid "Import trajectory files" #~ msgstr "Nhập các file quỹ đạo" #~ msgid "Calculate Energy" #~ msgstr "Tính năng lượng" #~ msgid "Conformer Search..." #~ msgstr "Tìm đồng phân..." #~ msgid "Constraints..." #~ msgstr "Ràng buộc..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Không thể thiết lập trường lực đang được chọn cho phân tử này. Chuyển " #~ "sang UFF." #~ msgid "ForceField" #~ msgstr "Trường lực" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Tối ưu hoá phân tử và phát sinh các đồng phân bằng cách dùng trường lực " #~ "cơ phân tử" #~ msgid "Change H to Methyl" #~ msgstr "Thay H bằng mê-tyl" #~ msgid "H to Methyl" #~ msgstr "H bằng mê-tyl" #~ msgid "H2Methyl" #~ msgstr "H-Metyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Chuyển hi-đrô thành các nhóm mê-tyl" #~ msgid "Add or remove hydrogens" #~ msgstr "Thêm hoặc bỏ hi-đrô" #~ msgid "Peptide..." #~ msgstr "Pep-tit..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Chèn các chuỗi ô-li-gô-pep-tit" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Giá trị uớc tính của mô-men lưỡng cực (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "Lấy theo tên hoá học..." #~ msgid "Fetch from URL..." #~ msgstr "Lấy từ URL..." #~ msgid "PDB Entry" #~ msgstr "Mục PDB" #~ msgid "PDB entry to download." #~ msgstr "Mục PDB để tải xuống." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL của phân tử cần tải xuống." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Không tải được phân tử đã cho: %1" #~ msgid "Fetch molecule files over the network." #~ msgstr "Lấy file phân tử qua mạng." #~ msgid "Show Preview" #~ msgstr "Hiện khung xem thử" #~ msgid "Hide Preview" #~ msgstr "Ẩn khung xem thử" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Lưu hình đã được hiển thị dưới dạng POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Các file ảnh (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Chưa có tên file hợp lệ nào được nhập vào." #~ msgid "Does not compute." #~ msgstr "Không tính toán." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Bạn yêu cầu trực tiếp vẽ POV-Ray nhưng không giữ lại file POV-Ray. Điều " #~ "này đồng nghĩa với việc kết quả sẽ không được lưu lại. Bạn chắc rằng muốn " #~ "như vậy chứ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "Không thể ghi vào file %1. Bạn có quyền ghi vào file này không?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray khởi động không thành công." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray khởi động không thành công. Có thể đường dẫn đến file chương " #~ "trình chạy chưa được đặt đúng." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Tạo các file POV-Ray và vẽ chúng bằng chương trình POV-Ray từ dòng lệnh." #~ msgid "Conformer Properties..." #~ msgstr "Thuộc tính đồng phân..." #~ msgid "Python Terminal" #~ msgstr "Cửa sổ lệnh Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Cửa sổ lệnh tương tác Python" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Chọn EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Chọn QM..." #~ msgid "You must make a selection!" #~ msgstr "Bạn phải lựa chọn!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Không có chuyển đổi SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Không có chuyển đổi định dạng SMILES!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Tạo file đầu vào cho gói phần mềm hóa lượng tử GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Đã thay đổi các yếu tố cài đặt nâng cao" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Các yếu tố cài đặt nâng cao bị thay đổi.\n" #~ "Hủy bỏ thay đổi này?" #~ msgid "Advanced Settings Reset" #~ msgstr "Đã đặt mặc định cho các cài đặt nâng cao" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Bạn có chắc rằng muốn đưa các cài đặt nâng cao trở về mặc định?\n" #~ "Mọi thay đổi sẽ mất đi!" #~ msgid "Basic Settings Reset" #~ msgstr "Đã đặt mặc định cho các cài đặt cơ bản" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Bạn có chắc rằng muốn đưa các cài đặt cơ bản trở về mặc định?\n" #~ "Mọi thay đổi sẽ mất đi!" #~ msgid "Gaussian Input Deck" #~ msgstr "Bảng nhập đầu vào Gauss" #~ msgid "The G03 executable, cannot be found." #~ msgstr "Không tìm thấy file chạy G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Không thể khởi động G03. Có lẽ nó đã không được cài đặt thành công." #~ msgid "Running Gaussian calculation..." #~ msgstr "Đang chạy tính toán Gauss..." #~ msgid "G03 Crashed." #~ msgstr "G03 bị lỗi và dừng chạy." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "G03 bị lỗi và dừng chạy. Có lẽ nó đã không được cài đặt thành công." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gauss..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck" #~ msgstr "Bảng nhập số liệu Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Cảnh báo về dữ liệu đầu vào MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Bảng nhập số liệu MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Đang chạy MOPAC" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC đang chạy. Hãy đợi đến khi phép tính trước đó được hoàn thành." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC chưa được cài đặt" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Không tìm được file chương trình chạy MOPAC" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Không khởi động được MOPAC. Có lẽ nó đã không được cài đặt đúng." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC đang tính toán..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC bị lỗi và dừng chạy." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC không hoạt động bình thường. Có lẽ nó đã không được cài đặt đúng" #~ msgid "NWChem Input Deck" #~ msgstr "Bảng nhập số liệu NWChem" #~ msgid "QChem Input Deck" #~ msgstr "Bảng nhập số liệu QChem" #~ msgid "Select SMARTS..." #~ msgstr "Chọn SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Thêm vào lựa chọn đã đặt tên..." #~ msgid "SMARTS Selection" #~ msgstr "Chọn SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Mẫu SMARTS dùng để chọn" #~ msgid "There is no current selection." #~ msgstr "Không có lựa chọn hiện thời nào." #~ msgid "Add Named Selection" #~ msgstr "Thêm vào lựa chọn đã được đặt tên" #~ msgid "Name cannot be empty." #~ msgstr "Phải có tên" #~ msgid "There is already a selection with this name." #~ msgstr "Đã có một lựa chọn với tên này." #~ msgid "Open a vertex shader source file" #~ msgstr "Mở một file nguồn tô đỉnh" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "File tô đỉnh (*.vert)" #~ msgid "Intensity (arb. units)" #~ msgstr "Cường độ (đ.vị bất kì)" #~ msgid "Density of States (states/cell)" #~ msgstr "Mật độ trạng thái (số trạng thái/ô)" #~ msgid "Density of States (states/atom)" #~ msgstr "Mật độ trạng thái (số trạng thái/nguyên tử)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Mật độ trạng thái (số trạng thái/e hóa trị)" #~ msgid "Transmittance (%)" #~ msgstr "Độ dẫn (%)" #~ msgid "Absorbance (%)" #~ msgstr "Độ hấp thụ (%)" #~ msgid "No intensities" #~ msgstr "Không có cường độ" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Số liệu rung động trong nguyên tử bạn vừa tải lên không bao gồm bất kì số " #~ "liệu cường độ nào. Để phục vụ việc hiển thị, các cường độ được đặt giá " #~ "trị bất kì." #~ msgid "Activity" #~ msgstr "Hoạt độ" #~ msgid "X Axis" #~ msgstr "Trục X" #~ msgid "Y Axis" #~ msgstr "Trục Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Đặt thuộc tính phổ &hồng ngoại" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Đặt thuộc tính &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&CD Settings" #~ msgstr "Cài đặt &CD" #~ msgid "&Raman Settings" #~ msgstr "Cài đặt &Raman" #~ msgid "No data" #~ msgstr "Không có số liệu" #~ msgid "Dark" #~ msgstr "Đậm" #~ msgid "Publication" #~ msgstr "Xuất bản" #~ msgid "Handdrawn" #~ msgstr "Được vẽ bằng tay" #~ msgid "New Scheme" #~ msgstr "Sơ đồ mới" #~ msgid "Confirm Scheme Removal" #~ msgstr "Khẳng định việc xóa bỏ sơ đồ" #~ msgid "Really remove current scheme?" #~ msgstr "Chắc chắn xóa bỏ sơ đồ hiện hành?" #~ msgid "Change Scheme Name" #~ msgstr "Đổi tên sơ đồ" #~ msgid "Enter new name for current scheme:" #~ msgstr "Đặt tên mới cho sơ đồ hiện hành:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Dạng giá trị ngăn cách bởi dấu Tab (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Dạng giá trị ngăn cách bởi dấu Tab" #~ msgid "Comma Separated Values" #~ msgstr "Dạng giá trị ngăn cách bởi dấu phảy" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Không rõ phần mở rộng: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Số liệu PWscf IR (*.out)" #~ msgid "Data Format" #~ msgstr "Định dạng dữ liệu" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Dạng thức:" #~ msgid "Load Spectral Data" #~ msgstr "Tải số liệu phổ" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Dạng thức tập tin ảnh có thẻ (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap (BMP)" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Lưu ảnh phổ" #~ msgid "&Advanced <<" #~ msgstr "&Thêm <<" #~ msgid "&Advanced >>" #~ msgstr "&Thêm >>" #~ msgid "&Spectra..." #~ msgstr "&Phổ..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Hiển thị số liệu phổ từ kết quả tính toán hóa lượng tử" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Tính toán rung động" #~ msgid "No vibrational displacements exist." #~ msgstr "Không tồn tại chuyển vị rung." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Hiển thị các mode rung động từ kết quả tính toán hóa lượng tử" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sắp xếp các rung động %1 theo tần số..." #~ msgid "Molecular Orbitals..." #~ msgstr "Orbital phân tử..." #~ msgid "Orbitals" #~ msgstr "Các orbital" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Không có gì" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Mật độ electron" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Lỗi - kiểu không xác định" #~ msgid "Calculating VdW Cube" #~ msgstr "Tính mặt cầu VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Tính MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Tính mật độ orbital phân tử và các mặt khác" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Khiển tố GL không được cài đặt đúng để có thể tạo ra đoạn phim video" #~ msgid "Building video " #~ msgstr "Đang tạo video " #~ msgid "Set Aspect Ratio" #~ msgstr "Đặt tỉ lệ các trục" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Khung hình Avogadro hiện thời có kích thước %1x%2 điểm ảnh, tức là có tỉ " #~ "lệ kích thước %3.\n" #~ "Bạn có thể giữ giá trị này, chẳng hạn nếu muốn dùng POV-Ray\n" #~ "để tạo ra một hình %4x1000 điểm ảnh, hoặc có thể nhập vào một số dương " #~ "khác, chẳng hạn\n" #~ "số 1 nếu bạn muốn dùng POV-Ray để tạo ra một ảnh hình vuông 1000x1000 " #~ "điểm ảnh." #~ msgid "Connect" #~ msgstr "Kết nối" #~ msgid "Disconnect" #~ msgstr "Ngắt kết nối" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Dò Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Dò theo chuyển động bằng điều khiển từ xa của Wii" #~ msgid "Debug Information" #~ msgstr "Thông tin gỡ lỗi" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Kích thước khung nhìn: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Nguyên tử: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: không gọi được đến chỉ số %1." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Kiểu file '%1' không được hỗ trợ cho việc đọc số liệu." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Kiểu của file '%1' không được hỗ trợ cho việc đọc số liệu." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Không đọc được phân tử có chỉ số %1 từ file '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: không gọi được đến chỉ số %1." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Kiểu file '%1' không được hỗ trợ việc ghi dữ liệu." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Kiểu file của '%1' không được hỗ trợ việc ghi dữ liệu." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Không thể mở file '%1' để đọc dữ liệu." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Không thay thế được phân tử với chỉ số %1 trong file '%2'." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Không thể mở file %1 để đọc dữ liệu." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Không thể mở file %1 để ghi dữ liệu." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Không lưu được file phân tử - không thể đổi tên file gốc." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Không lưu được file phân tử - không thể đổi tên file mới." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Không lưu được file phân tử - không thể xoá file cũ." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Không ghi được thông tin về một phân tử vào file '%1'. Hàm OpenBabel " #~ "không hoạt động." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Không thể mở file %1 để ghi." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Không ghi được số liệu các đồng đẳng vào file '%1'." #~ msgid "Molecule %1" #~ msgstr "Phân tử %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Không rõ loại máy Python" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: đang kiểm tra " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script không có lớp 'Engine' nào được định nghĩa" #~ msgid " - no module" #~ msgstr " - không có module" #~ msgid "Unknown Python Extension" #~ msgstr "Không rõ phần mở rộng Python" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: đang kiểm tra " #~ msgid " - script has no 'Extension' class defined" #~ msgstr "" #~ " - mã lệnh không có lớp 'Extension' [Phần mở rộng] nào được định nghĩa" #~ msgid "Unknown Python Tool" #~ msgstr "Không rõ công cụ Python" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: đang kiểm tra " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - mã lệnh không có lớp 'Tool' [công cụ] nào được định nghĩa" #~ msgid "Tools" #~ msgstr "Công cụ" #~ msgid "Align:" #~ msgstr "Dóng:" #~ msgid "Everything" #~ msgstr "Mọi thứ" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Tự động tối ưu: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Ràng buộc số: %1" #~ msgid "Steps per Update:" #~ msgstr "Số bước trong mỗi lượt cập nhật:" #~ msgid "Algorithm:" #~ msgstr "Thuật toán:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Động lực học phân tử (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Động lực học phân tử (900K)" #~ msgid "Ignored atoms are movable" #~ msgstr "Các nguyên tử được bỏ qua đều di chuyển được" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Tối ưu hoá tự động cho dạng hình học phân tử" #~ msgid "AutoOptimization Settings" #~ msgstr "Cài đặt cho tối ưu hoá tự động" #~ msgid "Auto Rotation Tool" #~ msgstr "Công cụ xoay tự động" #~ msgid "x rotation:" #~ msgstr "xoay quanh trục x:" #~ msgid "x rotation" #~ msgstr "xoay quanh trục x" #~ msgid "y rotation:" #~ msgstr "xoay quanh trục y:" #~ msgid "y rotation" #~ msgstr "xoay quanh trục y" #~ msgid "z rotation:" #~ msgstr "xoay quanh trục z:" #~ msgid "z rotation" #~ msgstr "xoay quanh trục z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Xoay tự động các phân tử" #~ msgid "AutoRotate Settings" #~ msgstr "Cài đặt cho xoay tự động" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Chiều dài liên kết: %L1" #~ msgid " Show Angles" #~ msgstr " Hiện các góc" #~ msgid "Bond Centric Manipulate" #~ msgstr "Thao tác với liên kết" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Thao tác chiều dài, góc, độ xoắn của liên kết" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Các cài đặt liên quan đến thao tác với liên kết" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Khoảng cách (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Khoảng cách (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Góc nhị diện: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Khoảng cách:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Đo chiều dài, góc, và góc nhị diện của liên kết" #~ msgid "Draw Bond" #~ msgstr "Vẽ liên kết" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Vẽ và chỉnh sủa nguyên tử và liên kết" #~ msgid "Draw Settings" #~ msgstr "Cài đặt cho thao tác vẽ" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Dịch chuyển, quay, chỉnh các nguyên tử và các đoạn" #~ msgid "Manipulate Settings" #~ msgstr "Cài đặt cho việc thao tác" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Dịch chuyển, xoay và thu phóng quanh khung nhìn hiện thời" #~ msgid "Navigate Settings" #~ msgstr "Cài đặt cho việc di chuyển" #~ msgid "Selection Mode:" #~ msgstr "Chế độ lựa chọn:" #~ msgid "Atom/Bond" #~ msgstr "Nguyên tử/Liên kết" #~ msgid "Change color of the atom" #~ msgstr "Đổi màu nguyên tử" #~ msgid "Change label of the atom" #~ msgstr "Đổi nhãn của nguyên tử" #~ msgid "Change label of the bond" #~ msgstr "Đổi nhãn của liên kết" #~ msgid "Change radius of the atom" #~ msgstr "Thay đổi bán kính nguyên tử" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Bán kính mới, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Chọn các nguyên tử, dư chất, và phân tử" #~ msgid "Symbol" #~ msgstr "Ký hiệu" #~ msgid "Bond Length" #~ msgstr "Độ dài liên kết" #~ msgid "Dihedral Angle" #~ msgstr "Góc nhị diện" #~ msgid "Z Matrix Editor..." #~ msgstr "Công cụ biên tập ma trận Z..." #~ msgid "Z-Matrix" #~ msgstr "Ma trận Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Tạo ra/sửa một ma trận Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Cài đặt cho ma trận Z" #~ msgid "Hydrophobicity" #~ msgstr "Tính kị nước" #~ msgid "Axes:" #~ msgstr "Trục:" #~ msgid "Cartesian Axes" #~ msgstr "Trục Đề-các" #~ msgid "Orthogonal Axes" #~ msgstr "Trục vuông góc" #~ msgid "Axis 1:" #~ msgstr "Trục 1:" #~ msgid "Axis 2:" #~ msgstr "Trục 2:" #~ msgid "Axis 3:" #~ msgstr "Trục 3:" #~ msgid "Norm" #~ msgstr "Chuẩn" #~ msgid "Preserve vector norms" #~ msgstr "Giữ nguyên chuẩn véc-tơ" #~ msgid "Atom Radius:" #~ msgstr "Bán kính nguyên tử:" #~ msgid "Bond Radius:" #~ msgstr "Bán kính liên kết:" #~ msgid "Shape" #~ msgstr "Hình" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Vòng" #~ msgid "Dipole:" #~ msgstr "Lưỡng cực:" #~ msgid "Custom Vector" #~ msgstr "Véc-tơ tự chọn" #~ msgid "Cut-off radius:" #~ msgstr "Bán kính cắt bỏ:" #~ msgid "Cut-off angle:" #~ msgstr "Góc cắt bỏ:" #~ msgid "Rendering Engine:" #~ msgstr "Bộ phận lên hình:" #~ msgid "TextRenderer" #~ msgstr "Phần mềm hiện chữ" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Đoạn chữ :" #~ msgid "Symbol & Number in Group" #~ msgstr "Ký hiệu & số trong nhóm" #~ msgid "Symbol & Atom number" #~ msgstr "Ký hiệu & số nguyên tử" #~ msgid "Custom data" #~ msgstr "Dữ liệu do người dùng cấp" #~ msgid "Change Font" #~ msgstr "Thay đổi phông chữ" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Dịch chuyển nhãn:" #~ msgid "Bond length" #~ msgstr "Độ dài liên kết" #~ msgid "Bond number" #~ msgstr "Số liên kết" #~ msgid "Bond order" #~ msgstr "Bậc liên kết" #~ msgid "Radius:" #~ msgstr "Bán kính:" #~ msgid "Include Nitrogens" #~ msgstr "Chứa nitơ" #~ msgid "VdW Opacity:" #~ msgstr "Độ đục VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Lên hình:" #~ msgid "Fill" #~ msgstr "Tô đầy" #~ msgid "Points" #~ msgstr "Điểm" #~ msgid "Draw Box:" #~ msgstr "Vẽ khung:" #~ msgid "Positive" #~ msgstr "Dương" #~ msgid "Negative" #~ msgstr "Âm" #~ msgid "Show Atoms" #~ msgstr "Hiện các nguyên tử" #~ msgid "Animate Trajectory" #~ msgstr "Qũy đạo chuyển động" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Vòng" #~ msgid "Save as .avi..." #~ msgstr "Lưu dưới dạng .avi..." #~ msgid "Bohrs" #~ msgstr "Bo" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, chỉ có toạ độ" #~ msgid "GAMESS Input #2" #~ msgstr "Đầu vào GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Đầu vào Priroda" #~ msgid "Apply Changes" #~ msgstr "Áp dụng các thay đổi" #~ msgid "Cut All" #~ msgstr "Cắt toàn bộ" #~ msgid "Paste to the End" #~ msgstr "Dán vào cuối" #~ msgid "(None)" #~ msgstr "(Không)" #~ msgid "Sort by " #~ msgstr "Sắp xếp theo " #~ msgid "Number of atoms:" #~ msgstr "Số nguyên tử:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Số liên kết xoay được:" #~ msgid "Ignore Atom" #~ msgstr "Bỏ qua nguyên tử" #~ msgid "Fix Atom" #~ msgstr "Cố định nguyên tử" #~ msgid "Fix Atom X" #~ msgstr "Cố định toạ độ X của nguyên tử" #~ msgid "Fix Atom Y" #~ msgstr "Cố định toạ độ Y của nguyên tử" #~ msgid "Fix Atom Z" #~ msgstr "Cố định toạ độ Z của nguyên tử" #~ msgid "Torsion angle" #~ msgstr "Góc xoắn" #~ msgid "Save" #~ msgstr "Lưu" #~ msgid "Load" #~ msgstr "Tải" #~ msgid "Cartesian" #~ msgstr "Đề-các" #~ msgid "All" #~ msgstr "Tất cả" #~ msgid "File Import..." #~ msgstr "Nhập file..." #~ msgid "Setup Force Field" #~ msgstr "Thiết lập trường lực" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Số bước" #~ msgid "Algorithm" #~ msgstr "Thuật toán" #~ msgid "L" #~ msgstr "T" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Xoắn an-pha" #~ msgid "Pi Helix" #~ msgstr "Xoắn Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "Đ" #~ msgid "F" #~ msgstr "T" #~ msgid "Dipole Moment (D):" #~ msgstr "Mô-men lưỡng cực (D):" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Nâng cao" #~ msgid "Grid" #~ msgstr "Lưới" #~ msgid "POV-Ray Export" #~ msgstr "Xuất dưới dạng POV-Ray" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Làm trơn hình toàn cảnh" #~ msgid "Antialias" #~ msgstr "Làm trơn" #~ msgid "Set the background color to be transparent" #~ msgstr "Đặt nền trong suốt" #~ msgid "Alpha transparency" #~ msgstr "Độ trong alpha" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Lên hình phân tử bằng cách trực tiếp dùng lệnh POV-Ray" #~ msgid "Path:" #~ msgstr "Đường dẫn:" #~ msgid "Compute..." #~ msgstr "Tính..." #~ msgid "Basics" #~ msgstr "Cơ bản" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "&Advanced Setup" #~ msgstr "Cài đặt &nâng cao" #~ msgid "Hessian" #~ msgstr "Hesse" #~ msgid "System" #~ msgstr "Hệ thống" #~ msgid "Misc" #~ msgstr "Các thứ khác" #~ msgid "Read" #~ msgstr "Đọc" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Hoá trị zeta kép" #~ msgid "Dunning/Hay DZ" #~ msgstr "DZ Dunning/Hay" #~ msgid "SBKJA Valence" #~ msgstr "Hoá trị SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hoá trị Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Kiểu ECP:" #~ msgid "Default" #~ msgstr "Mặc định" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "Polar:" #~ msgstr "Cực:" #~ msgid "Max SCF Iterations:" #~ msgstr "Số lần lặp SCF cực đại:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Saddle Point" #~ msgstr "Điểm yên ngựa" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Cực trị gradient" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Spin Orbit" #~ msgstr "Quỹ đạo spin" #~ msgid "Finite Electric Field" #~ msgstr "Trường điện tích hữu hạn" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Tối ưu hoá toàn cục" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Tối ưu hoá FMO" #~ msgid "Raman Intensities" #~ msgstr "Các cường độ Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Không (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Kiểu SCF:" #~ msgid "Localization Method:" #~ msgstr "Phương pháp địa phương hoá:" #~ msgid "Exec Type:" #~ msgstr "Kiểu thực thi:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC tuyến tính hoá" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Chạy bình thường" #~ msgid "Check" #~ msgstr "Kiểm tra" #~ msgid "Debug" #~ msgstr "Gỡ lỗi" #~ msgid "Run Type:" #~ msgstr "Kiểu chạy:" #~ msgid "Use MP2" #~ msgstr "Dùng MP2" #~ msgid "Use DFT" #~ msgstr "Dùng DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# của biến ma trận Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Toạ độ Đề-các duy nhất" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Dùng tính đối xứng trong quá trình tính toán" #~ msgid "Point Group:" #~ msgstr "Nhóm điểm:" #~ msgid "Minutes" #~ msgstr "Phút" #~ msgid "Hours" #~ msgstr "Giờ" #~ msgid "Days" #~ msgstr "Ngày" #~ msgid "Weeks" #~ msgstr "Tuần" #~ msgid "Years" #~ msgstr "Năm" #~ msgid "Millenia" #~ msgstr "Thiên niên kỉ" #~ msgid "MegaWords" #~ msgstr "MegaWord" #~ msgid "MegaBytes" #~ msgstr "MegaByte" #~ msgid "GigaWords" #~ msgstr "GigaWord" #~ msgid "GigaBytes" #~ msgstr "GigaByte" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Tạo file \"lõi\" khi huỷ bỏ công việc" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Bộ nhớ :" #~ msgid "Diagonalization Method:" #~ msgstr "Phương pháp chéo hoá:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Kiểu cân bằng tải song song" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Vòng" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Giá trị kết tiếp" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Dùng cách thể hiện dữ liệu ngoài cho các thông báo" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Đọc MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Đã lưu MO (DICTNRY)" #~ msgid "Skip" #~ msgstr "Bỏ qua" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Xoay các orbital Alpha và Beta" #~ msgid "Print the Initial Guess" #~ msgstr "In giá trị đoán ban đầu" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Giao diện GAMESS với các mã khác" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Phiên bản nước Anh)" #~ msgid "Solvate with Water" #~ msgstr "Hoà trong dung môi nước" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Phát sinh các orbital tự nhiên UHF" #~ msgid "Direct SCF" #~ msgstr "SCF trực tiếp" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: tương quan Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: tương quan Lee-Yang-Parr" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: tương quan SLATER + Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: tương quan SLATER + OP" #~ msgid "Grid-Free" #~ msgstr "Không cần lưới" #~ msgid "Duplicated on Each Node" #~ msgstr "Lặp lại trên mỗi nút" #~ msgid "Compute MP2 Properties" #~ msgstr "Tính toán các thuộc tính MP2" #~ msgid "Segmented Transformation" #~ msgstr "Biến đổi phân đoạn" #~ msgid "Numeric" #~ msgstr "Dạng số" #~ msgid "Double Differenced Hessian" #~ msgstr "Hesse sai phân kép" #~ msgid "Print Internal Force Constants" #~ msgstr "In các hằng số nội lực" #~ msgid "Displacement Size:" #~ msgstr "Kích thước chuyển vị:" #~ msgid "bohrs" #~ msgstr "bo" #~ msgid "Initial Hessian" #~ msgstr "Hesse ban đầu" #~ msgid "Read (from $HESS)" #~ msgstr "Đọc (từ $HESS)" #~ msgid "Update Step Size" #~ msgstr "Cập nhật độ dài bước" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "In các orbital tại mỗi lần lặp" #~ msgid "Stationary Point" #~ msgstr "Điểm dừng" #~ msgid "Initial:" #~ msgstr "Ban đầu:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Tối ưu hàm số phân thức" #~ msgid "Quadratic Approximation" #~ msgstr "Xấp xỉ bậc hai" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (giả-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Tối ưu hoá có ràng buộc" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Tính lại Hesse mỗi:" #~ msgid "Basis:" #~ msgstr "Cơ sở:" #~ msgid "Z-matrix" #~ msgstr "ma trận Z" #~ msgid "Gaussian Input" #~ msgstr "Đầu vào Gauss" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Tiêu chuẩn" #~ msgid "Checkpoint:" #~ msgstr "Điểm kiểm tra:" #~ msgid "Z-matrix (compact)" #~ msgstr "ma trận Z (thu gọn)" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Display Type:" #~ msgstr "Kiểu hiển thị:" #~ msgid "Change Font..." #~ msgstr "Đổi phông chữ..." #~ msgid "New..." #~ msgstr "Tạo mới..." #~ msgid "Rename..." #~ msgstr "Đổi tên..." #~ msgid "&Schemes:" #~ msgstr "&Sơ đồ:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "Bề &rộng:" #~ msgid "&Height" #~ msgstr "Chiều &cao" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "inch" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Dùng một giá trị tối ưu cho cỡ phông chữ thay vì giá trị được chỉ định " #~ "theo sơ đồ (việc chuyển từ màn hình sang cỡ phông sẽ không đẹp!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Tự động điều chỉnh cỡ &phông chữ" #~ msgid "&Gaussian Width:" #~ msgstr "Bề rộng &Gauss:" #~ msgid "&Label peaks" #~ msgstr "Đặt &nhãn cho các đỉnh" #~ msgid "&Y Axis Units:" #~ msgstr "Đơn vị trục &Y:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "&Bề rộng Gauss:" #~ msgid "Reset &Plot Axes" #~ msgstr "Đặt lại các &trục để vẽ" #~ msgid "Label Peaks:" #~ msgstr "Đặt nhãn cho các đỉnh:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Rung động của phân tử" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "các rung động với tần số cao sẽ cho thấy chuyển động nhanh hơn" #~ msgid "Animation speed set by frequency" #~ msgstr "Tốc độ hoạt hình đặt theo tần số" #~ msgid "Display force &vectors" #~ msgstr "Hiển thị &véc-tơ lực" #~ msgid "Surface Type:" #~ msgstr "Kiểu mặt:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Thấp" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Trung bình" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Cao" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Rất cao" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Trong kiểu hiển thị:" #~ msgid "New Display" #~ msgstr "Cửa sổ hiển thị mới" #~ msgid "Advanced..." #~ msgstr "Thêm..." #~ msgid "Display visual cues" #~ msgstr "Hiện các hỗ trợ xem hình" #~ msgid "Python Settings" #~ msgstr "Đặt chế độ cho Python" #~ msgid "Z Matrix Editor" #~ msgstr "Soạn thảo ma trận Z" OpenChemistry-avogadrolibs-ceb949f/i18n/zh_CN.po000066400000000000000000012746601516317240700216320ustar00rootroot00000000000000# Simplified Chinese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Liu Tao , 2021. # 刘韬 , 2021. # Hugel , 2022. # FAN JI , 2022. # Shusong Zhang , 2023. # alchemistcai , 2023. # Chiyu Liang <532117255@qq.com>, 2023, 2024, 2026. # Sihan Zhang , 2024. # KeysBits , 2024, 2026. # Weblate Translation Memory , 2024, 2026. # LibreTranslate , 2024, 2025, 2026. # zhang tengshuo , 2024. # Eisuke Kawashima , 2024, 2025, 2026. # kuyoeku , 2025. # gmkeebiy , 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-04-01 10:32+0000\n" "Last-Translator: KeysBits \n" "Language-Team: Chinese (Simplified Han script) \n" "Language: zh_CN\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "批处理作业 #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "未指定消息。" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "脚本 --print-options 的输出必须是顶级的JSON对象。接收：\n" "%1" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "返回非字符串警告。" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "'warnings' 成员不是数组。" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "目标文件 '%1' 不存在。" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "填充文件 %1 时出错：%2" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "文件 '%1' 格式错误。缺少字符串 'contents' 或 'filePath' 成员。" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "文件输入异常：文件名/内容丢失，或者不是字符串：\n" "%1" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "位于 %1 的文件输入异常：不是对象。" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "'files' 成员不是数组。" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "缺少 'files' 成员。" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' 成员未指向 'file' 中的条目。" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "'mainFile' 成员必须是字符串。" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "响应必须是顶级 JSON 对象。" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "脚本输出：\n" "%1" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "解析偏移 %L1 时出错：'%2'\n" "原始 Json：\n" "\n" "%3" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "保存分子表示为字符串时出错：未识别的文件格式： %1" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "保存分子表示为字符串时出错： %1" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "生成 cjson 对象时出错：偏移 %1： %2 的解析错误\n" "原始 Json：\n" "\n" "%3" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "生成 cjson 对象时出错：解析的 JSON 不是对象：\n" "%1" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "输入生成器（错误）" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, qt-format msgid "%1 Input Generator" msgstr "%1 输入生成器" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "继续" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "关闭" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "未知" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "已修改以下文件：\n" "\n" "%1\n" "\n" "是否覆盖更改以反映新的几何构型或作业选项？" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "覆盖修改后的输入文件？" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "输入生成过程中出现问题：" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "没有要保存的输入文件！" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "无法连接到 MoleQueue" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "无法连接到 MoleQueue 服务器。请确保它正在运行，然后重试。" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "提交 %1 计算" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "作业失败" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "该作业没有成功完成。" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "脚本返回警告：\n" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "隐藏警告(&W)" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "显示警告(&W)" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "发生错误：" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "选择输出文件名" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "内部错误：找不到文件名为 '%1' 的文本小组件" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "输出错误" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "向文件 %1 中写入时失败。" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "选择输出目录" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1：目录不存在！" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1：无法读取目录！" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1：文件将被覆盖。" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1：文件不可写。" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "由于未知错误，无法写入输入文件。" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "无法写入输入文件：\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "无法写入输入文件：\n" "\n" "%1\n" "\n" "警告：\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "警告：\n" "\n" "%1\n" "\n" "继续吗？" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "写入输入文件" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "配置作业" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "正在向 MoleQueue 提交作业…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "作业提交超时" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro 等待 MoleQueue 的回复超时。" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "等待工作 %1 “%2” 完成…" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "停止等待" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "正在获取已完成作业信息…" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "作业检索超时" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "Avogadro 从 MoleQueue 获取已完成作业详情超时。" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "提交作业时出错" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue已拒绝作业：%1" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "没有选择程序。" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "请从 \"Queue and Program\" 列表选择目标程序。" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "用户端向 MoleQueue 提交作业失败。" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "内部错误。" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "无法解析程序选择。这是一个错误。" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "没有在 BackgroundFileFormat 中设置分子！" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "没有在 BackgroundFileFormat 中设置 Io::FileFormat！" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "没有在 BackgroundFileFormat 中设置文件名！" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "水平拆分" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "垂直拆分" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "氢" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "氦" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "锂" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "铍" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "硼" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "碳" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "氮" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "氧" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "氟" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "氖" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "钠" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "镁" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "铝" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "硅" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "磷" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "硫" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "氯" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "氩" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "钾" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "钙" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "钪" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "钛" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "钒" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "铬" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "锰" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "铁" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "钴" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "镍" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "铜" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "锌" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "镓" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "锗" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "砷" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "硒" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "溴" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "氪" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "铷" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "锶" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "钇" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "锆" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "铌" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "钼" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "锝" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "钌" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "铑" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "钯" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "银" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "镉" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "铟" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "锡" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "锑" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "碲" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "碘" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "氙" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "铯" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "钡" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "镧" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "铈" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "镨" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "钕" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "钷" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "钐" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "铕" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "钆" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "铽" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "镝" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "钬" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "铒" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "铥" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "镱" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "镥" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "铪" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "钽" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "钨" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "铼" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "锇" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "铱" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "铂" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "金" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "汞" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "铊" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "铅" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "铋" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "钋" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "砹" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "氡" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "钫" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "镭" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "锕" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "钍" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "镤" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "铀" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "镎" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "钚" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "镅" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "锔" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "锫" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "锎" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "锿" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "镄" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "钔" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "锘" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "铹" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "𬬻" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "𬭊" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "𬭳" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "𬭛" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "𬭶" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "鿏" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "𫟼" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "𬬭" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "鿔" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "鿭" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "𫓧" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "镆" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "𫟷" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "鿬" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "鿫" #: qtgui/filebrowsewidget.cpp:24 msgid "Browse" msgstr "浏览" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "选择文件：" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "选择可执行文件：" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "无法为所选文件找到合适的读取器。" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "文件缺少拓展名，无法确定格式。添加拓展名吗？" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "无法为所选文件找到合适的写入器。" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "句柄" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "处理" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "读取器" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "读取" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "写入器" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "写入" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "找到多个可以 %2 该格式的 %1。应当使用哪个？" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "所有文件" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "所有受支持的格式" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "读取分子表示时出错：未识别的文件格式：%1" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "%1 消息" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "%1 警告" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "%1 错误" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "写入分子表示时出错：未识别的文件格式：%1" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "写入分子表示时出错：%1" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "缺少 'userOptions' 。" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "找不到选项“%1”。" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' 不是选项 '%1' 的字符串。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "标题" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "基础文件名" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "处理器核心" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "内存" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "计算类型" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "理论" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "基组" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "电荷" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "多重态" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "溶剂" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "模型" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "用户名称" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "密码" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "无法识别选项 '%2' 的类型 '%1'。" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "设置选项 '%1' 的默认值时发生错误。无效的小组件类型。" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "设置选项 '%1' 的默认值时发生错误。无效的默认值：" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "设置选项 '%1' 的默认值时发生错误。找不到有效的组合条目索引：" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "选项 '%1' 的 collectOption 中有小组件未处理。" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 msgid "[no molecule]" msgstr "[没有分子]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "图层 %1" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "球棍模型" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "卡通渲染" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "近距接触" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "晶格" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "力" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 msgid "Labels" msgstr "标签" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "棒状渲染" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "表面" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "非共价的" #: qtgui/layermodel.cpp:188 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM（分子中原子的量子理论）" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "对称元素" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "范德华渲染" #: qtgui/layermodel.cpp:194 msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "范德华渲染（环境光遮蔽）" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "体积" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "线框" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "参考轴" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "未命名" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "编辑分子" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "未保存" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "创建新视图" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "元素周期表" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "包模式要求 pixi 但未找到。" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "运行脚本 '%1 %2' 时出错：等待启动超时 (%3)。" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "运行脚本 '%1 %2' 时出错：写入 stdin 失败（len=%3，已写入 %4 字节，QProcess 错" "误：%5）。" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "运行脚本 '%1 %2' 时出错：等待完成超时 (%3)。" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "运行脚本 '%1 %2' 时出错：异常的退出状态 %3 (%4: %5)\n" "\n" "输出：\n" "%6" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "警告 '%1'" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "将原始请求写入 stdin 时出错（len=%1, 已写入 %2 字节，QProcess 错误： %3）。" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "脚本启动失败。" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "脚本崩溃。" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "脚本超时。" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "读取错误。" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "写入错误。" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "未知的错误。" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "修改图层" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "删除图层" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "删除图层信息" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "添加图层" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "添加图层信息" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "更改图层" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "添加原子" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "删除原子" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "清除原子" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "调整氢原子数目" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "更改元素" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "更改元素" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "更改原子杂化" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "更改原子形式电荷" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "更改原子颜色" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "更改残基颜色" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "更改原子图层" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "添加键" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "已移除键" #: qtgui/rwmolecule.cpp:347 msgid "Clear Bonds" msgstr "清除所有键" #: qtgui/rwmolecule.cpp:361 msgid "Set Bond Orders" msgstr "设置键级" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "更改键级" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "更新键" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "更新键" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "添加晶胞…" #: qtgui/rwmolecule.cpp:445 msgid "Remove Unit Cell" msgstr "移除晶胞" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "编辑晶胞" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "将原子包裹到晶胞内" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "缩放晶胞体积" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "构建超胞" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "Niggli 约化" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "旋转到标准取向" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "约化为原胞" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "转换为惯用胞" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "对称化晶胞" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "填充晶胞" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "填充平移副本" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "约化为非对称单元" #: qtgui/rwmolecule.h:215 msgid "Change Atom Positions" msgstr "更改原子位置" #: qtgui/rwmolecule.h:225 msgid "Change Atom Position" msgstr "更改原子位置" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "更改原子标签" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "更改键标签" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "更改选择" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "修改分子" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "设置" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "计算中…" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "剩余不到 1 秒" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "剩余 %n 秒" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "剩余 %n 分钟" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "剩余 1 小时 %n 分钟" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "剩余 %n 小时" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML 模块。" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "文件(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "导出(&E)" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "更改元素…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "构建(&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "元素：" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "炼金术" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "更改原子中的元素。" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "对齐" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" "对齐分子\n" "\n" "鼠标左键：选择至多两个原子。\n" "\t第一个原子将被放置于原点。\n" "\t第二个原子将被对齐到选定的坐标轴。\n" "鼠标右键：重置对齐。\n" "鼠标双击：将原子回中到原点。" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "轴：" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "对齐到原点" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "对齐到轴" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "将原子居中置于原点。" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "旋转分子以将原子对齐到选定的坐标轴。" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "对齐工具" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "对齐分子到笛卡尔坐标轴" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "运行 APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "打开输出文件…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "输入(&I)" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "打开输出文件" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX 文件 (*.dx)" #: qtplugins/apbs/apbs.cpp:115 msgid "IO Error" msgstr "IO 错误" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "读取结构文件 (%1) 时出错。" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "OpenDX 错误" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "读取 OpenDX 文件时出错：%1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "读取 OpenDX 文件时出错：找不到立方体" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "与 APBS 实用工具交互。" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "打开 PDB 文件" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB 文件 (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "打开 PQR 文件" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR 文件 (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "错误" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "运行 APBS 时出错：%1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "请指定 PDB 文件" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 msgid "Success" msgstr "成功" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "已生成 %1" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "运行 PDB2PQR 时出错" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "保存 APBS 输入文件" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS 输入 (*.in)" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "输入文件已写入 '%1'" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "无法保存文件 %1。" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "按自定义颜色…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "按原子序数…" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "按距离…" #: qtplugins/applycolors/applycolors.cpp:62 msgid "By Element" msgstr "按元素" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "按链" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "部分电荷…" #: qtplugins/applycolors/applycolors.cpp:83 msgid "By Secondary Structure" msgstr "按二级结构" #: qtplugins/applycolors/applycolors.cpp:88 msgid "By Amino Acid" msgstr "按氨基酸" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "按 Shapely 主题" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "Gray" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "将颜色主题应用于原子和残基。" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "视图(&V)" #: qtplugins/applycolors/applycolors.cpp:153 msgid "Color Atoms" msgstr "为原子着色" #: qtplugins/applycolors/applycolors.cpp:155 msgid "Color Residues" msgstr "为残基着色" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "选择配色方案" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "配色方案：" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "按索引着色" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "按电荷着色" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "按距离着色" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "重置原子颜色" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "应用自定义颜色" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "应用自定义残基颜色" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "重置残基颜色" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "按二级结构着色" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "按氨基酸着色" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "应用 Shapely 配色" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "应用配色" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "自动优化" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "自动优化工具\t(%1)\n" "\n" "在空白部分点击以启用导航。\n" "鼠标左键：旋转空间\n" "鼠标中键：缩放空间\n" "鼠标右键：移动空间\n" "双击：重置视角\n" "\n" "运行中：\n" "鼠标左键：点击并拖拽原子以移动。\n" "鼠标右键：点击并拖拽原子以旋转。" #: qtplugins/autoopt/autoopt.cpp:205 msgid "Optimize" msgstr "优化" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "动力学" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "任务：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "方式：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "温度：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "时间步长：" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "开始" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "停止" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 msgid "Optimize Geometry" msgstr "优化几何结构" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "分子动力学" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "%1 T = %L2" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "%1 ΔE = %L2" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "自动优化工具" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "交互式分子几何构型优化" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "原子尺寸" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "键尺寸" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "不透明度" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "显示多重键" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "显示氢" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "将原子渲染为球体，将键渲染为圆柱体。" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "化学键操纵" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "化学键操纵工具\t(%1)\n" "\n" "鼠标左键：按下并拖动以旋转视图。\n" "鼠标中键：按下并拖动以缩放。\n" "鼠标右键：按下并拖动以移动视图。\n" "双击：重设视图。\n" "\n" "鼠标左键 & 在化学键上拖动以设置操作平面\n" "鼠标左键 & 在成键原子上拖动以改变键角\n" "鼠标右键 & 在成键原子上拖动以改变键长" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "化学键操作工具。" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "基于键长和键角的分子几何构型修改工具。" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "成键原子" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "推断键级" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "移除化学键" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "配置成键…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "让选定的原子间成键" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 msgid "Bond" msgstr "键" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "将键从所有选中的原子上移除。" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "在所有选中的原子间创建键。" #: qtplugins/bonding/bonding.cpp:76 msgid "Perceive bond orders." msgstr "推断键级。" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "成键" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "执行键操作。" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "骨架" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "轨迹线" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "管状" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "条带状" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "简单卡通" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "卡通" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "绳索状" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "展示生物大分子条带/卡通。" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "添加几何重心" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "添加质心" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "添加垂直方向" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "几何重心" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "添加重心和质心。" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 msgid "Maximum distance:" msgstr "最大距离：" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "线条宽度：" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "接触" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "盐桥" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "排斥作用" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "渲染原子间的紧密接触。" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "扩展(&E)" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 msgid "Scripts" msgstr "脚本(&S)" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "读取输出文件'%1'时出错：\n" "%2" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "正在处理 %1" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "设置 Python 解释器路径：" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "选择用以运行外部脚本的 Python 解释器。\n" "更改将在 Avogadro 重启后生效。" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "命令脚本" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "运行外部指令和脚本" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "Python 设置…" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "安装 Python" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "许多 Avogadro 功能都使用 Python。您希望现在下载 Python 吗？" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "配置 Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "配置 Python 环境。" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "其它…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "约束…" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 msgid "&Calculate" msgstr "计算(&C)" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "约束" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "设置用于几何构型优化的约束" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "距离" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "角度" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "扭转角" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "冻结原子" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "冻结 X 轴" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "冻结 Y 轴" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "冻结 Z 轴" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "类型" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "值" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 msgid "Atom 1" msgstr "原子 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 msgid "Atom 2" msgstr "原子 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 msgid "Atom 3" msgstr "原子 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 msgid "Atom 4" msgstr "原子 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "原子和坐标编辑器(&C)…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "坐标编辑器" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "原子坐标的文本编辑。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "覆盖更改？" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "文本文档已被修改。撤销更改并回退到当前分子吗？" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "行中项目过少。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "无效的元素名称。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "元素名称。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "无效的元素符号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "元素符号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "无效的原子标签。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "无效的原子编号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "原子编号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "无效的原子序数。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "原子序数。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "无效的坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X 坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y 坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z 坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' 晶格坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' 晶格坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' 晶格坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "应用几何构型时出错" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "无法解析要求的几何构型。请在修复高亮显示的错误后重试。\n" "\n" "（提示：将鼠标悬停在红色文本上以查看错误描述。）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "修改原子坐标" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "自定义" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ 格式 （符号）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ 格式 （名称）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ 格式 （原子序数）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "晶格坐标 （符号）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "晶格坐标 （名称）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "晶格坐标 （原子序数）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS 格式 （符号）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS 格式 （名称）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole 格式" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 msgid "Copy" msgstr "复制" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "剪切" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "删除" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "粘贴(&P)" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "InChI" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "编辑(&E)" #: qtplugins/copypaste/copypaste.cpp:87 msgid "Copy As" msgstr "复制为" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "错误剪切分子" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "生成剪贴板数据时出错。" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "输出格式： %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "读取器错误：\n" "%1" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "粘贴分子时出错" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "无法粘贴分子。剪贴板为空！" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "读取剪贴板数据错误。" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "检测到的格式： %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "复制粘贴" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "与剪贴板交互。" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K 输入" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "为 CP2K 生成输入。" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "能量" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "能量和力" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 msgid "Geometry Optimization" msgstr "几何构型优化" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "电子结构方法（DFT）" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 msgid "Molecular Mechanics" msgstr "分子力学" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "杂交量子经典方法 （尚不支持）" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 msgid "Conjugate Gradients" msgstr "共轭梯度法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 msgid "Steepest descent" msgstr "最速下降法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "输入文件已被修改。希望覆盖您的更改以反映新的几何形状或作业选项吗？" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "覆盖修改后的输入文件？" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "保存 CP2K 输入文件" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "提交 CP2K 计算" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "从剪贴板导入晶体…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "切换晶胞" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "编辑晶胞…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "将原子移动到晶胞中(&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "旋转到标准方向(&O)" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "缩放晶胞体积(&V)…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "构建超胞(&S)…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "约化晶胞 (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "&Crystal" msgstr "晶体(&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "移除晶胞(&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "添加晶胞(&U)" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "从剪贴板导入晶体" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "将原子包裹到晶胞内。" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "旋转晶胞到标准取向。" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "Niggli 约化晶体" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "晶胞已被约化。" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "晶体" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "晶体编辑/分析工具。" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "着色轴：" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "线条颜色：" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "渲染晶胞边界。" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "无法解析文本" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "无法使用提供的格式读取文件。" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "没有晶胞。" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "晶胞编辑器" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "忽略奇异晶胞矩阵" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "忽略奇异分数坐标晶胞矩阵" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "重新指定自定义元素…" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "在当前分子中操作自定义元素类型。" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "自定义元素" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "偶极矩" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "渲染分子的偶极矩。" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "绘制" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" "绘制工具\t(%1)\n" "\n" "鼠标左键：按下并拖动以创建原子和化学键\n" "鼠标右键：删除原子" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "绘制原子" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "更改化学键类型" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "移除化学键" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "距离：" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "编辑器工具" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "自动化" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "单键" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "双键" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "三键" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "导入(&I)" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "从 PDB 获取" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "无法读取 PDB 分子：%1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB编号" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "下载化学结构。" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "无效的PDB编号" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB编号必须为四个字符。" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB 编码的第一个字符必须为1-9。" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "正在查询 %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "网络下载失败" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "网络超时或发生其它错误。" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "特定的分子没有找到: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "从 PDB 获取" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "从 Protein Data Bank 下载 PDB 模型" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "聚焦到所选项" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "取消聚焦" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "聚焦" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "将视图聚焦于特定特征。" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "为分子中的原子渲染力场可视化。" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "相互作用" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "建立力场…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "固定选择的原子" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "冻结 X 轴" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "冻结 Y 轴" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "冻结 Z 轴" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "释放所选择的原子" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "融合选定的原子" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "取消融合选定的原子" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "没有提供给优化的原子" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "能量：%L1" #: qtplugins/forcefield/forcefield.cpp:638 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 能量 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 力的范数 = %L2" #: qtplugins/forcefield/forcefield.h:61 msgid "Forcefield optimization" msgstr "力场优化" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "力场最小化，包括脚本" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "选项…" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "无效的模型选项" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "无法解析对模型 '%1' 的用户选项。" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "%1 选项" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "自动检测 (%1)" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "通用力场" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "广义 Amber 力场" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "Merck 分子力场 94" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS输入" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "生成 GAMESS 输入。" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 msgid "Single Point" msgstr "单点能" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "平衡态几何体" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "过渡态" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "频率" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "构建 EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "核心势" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "无" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "D1" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "D2" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "D3" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "D4" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "气体" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "水" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "单重态" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "双重态" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "三重态" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "二价阳离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "阳离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "中性" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "阴离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "二价阴离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "保存 GAMESS 输入文件" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "提交 GAMESS 计算" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "调整氢原子数目(&A)" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "添加氢原子" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "删除多余的氢原子(&x)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "移除所有氢原子(&R)" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "在当前分子上添加/移除氢。" #: qtplugins/hydrogens/hydrogens.cpp:57 msgid "&Hydrogens" msgstr "氢原子(&H)" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "氢" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "搜索 PQR(&S)…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "从 PQR 导入" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "从 PQR 下载分子。" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "插入(&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "插入 DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "尿嘧啶" #: qtplugins/insertdna/insertdna.cpp:168 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "胸腺嘧啶" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "插入分子…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "正在生成 3D 分子…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "插入 DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "通过对话框插入 DNA / RNA 片段。" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "分子…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "晶体…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "读取文件时出错 (%1)。" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "导入晶体结构" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "插入片段" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "插入片段" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "插入分子片段以构建更大的分子。" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "肽…" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "插入肽" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "插入肽" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "插入寡肽序列。" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "颜色:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "与中心的距离：" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "标签尺寸：" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "原子编号" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "唯一D" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "元素" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "元素与编号" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "元素 & ID" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "部分电荷" #: qtplugins/label/label.cpp:222 msgid "Atom Label:" msgstr "原子标签：" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "长度" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "键标签：" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "名称" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "名称与 ID" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "残基标签：" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "在球棍模型上展示标签。" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "编辑标签" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" "原子标记工具\n" "\n" "鼠标左键：在原子上点击以添加自定义标签" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "创建标签" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "标签编辑工具" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS 输入" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "生成 LAMMMPS 输入文件。" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "您是否希望更新预览文本？所有在 Lammps 输入预览面板中所做的修改都将丢失。" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "不透明度：" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "将原子渲染为棒状模型。" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 msgid "No descriptors found!" msgstr "未找到描述符！" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "未找到行格式读取器！" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "无法加载所请求格式的读取器。" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "未找到坐标！" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "无法生成 3D 坐标。" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "通过输入对话框加载单行分子描述符。" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "操纵" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" "操纵工具\t(%1)\n" "\n" "鼠标左键：点击并拖动以移动原子\n" "鼠标右键：点击并拖动以旋转选中的原子。" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "操纵工具" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "测量" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" "测量工具\t(%1)\n" "\n" "鼠标左键：选择至多四个原子。\n" "\t测量原子1-2和原子2-3之间的距离\n" "\t以2号原子为顶点，测量原子1-3的角度\n" "\t按1-2-3-4的顺序测定二面角\n" "鼠标右键：重置测量。" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "二面体：" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "角度：" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "测量工具" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "（待定）" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "属性" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "分子名称" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "分子量 (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "单一同位素质量 (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "化学式" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "原子数" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "键数" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "坐标集" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "残基数" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "链数量" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "净电荷" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "净自旋多重度" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "偶极矩 (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO 能量 (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO 能量 (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO 能量 (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "总能量 (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "零点能 (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "焓 (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "熵 (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs 自由能 (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "点群" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "分子(&M)…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "查看分子的一般属性。" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "分析(&A)" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "属性(&P)" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "分子属性" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "分子属性" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 msgid "Export CSV" msgstr "导出" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV 文件 (*.csv);;所有文件 (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 msgid "Could not open the file for writing." msgstr "无法打开文件以写入。" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "写入文件时出错。" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "导出…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "导航" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" "导航工具\t(%1)\n" "\n" "鼠标左键：点击并拖动以旋转视角。\n" "鼠标中键：点击并拖动以缩放。\n" "鼠标右键：点击并拖动以移动视角。" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "绕 x/y/z 轴旋转场景。" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "缩放场景。" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "移动场景(&T)..." #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "滚动时反向缩放" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" "默认：向下滚动以缩小，向上滚动以放大\n" "反向：向上滚动以缩小，向下滚动以放大" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "导航工具" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "化学名称" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "网络数据库" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "与在线数据库交互，如查询结构等。" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "角度容差：" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "卤素" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "氧族元素" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "渲染一些非共价相互作用。" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "配置力场…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "搜索构象异构体…" #: qtplugins/openbabel/openbabel.cpp:66 msgid "Perceive Bonds" msgstr "推断化学键" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "添加特定 pH 下的氢原子…" #: qtplugins/openbabel/openbabel.cpp:84 msgid "Remove Hydrogens" msgstr "删除氢原子" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "未找到 %1！正在禁用 Open Babel 插件操作。" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "Open Babel 文件格式尚未准备好被添加。" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "正在从 Open Babel 载入分子…" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "出现内部错误：OpenBabel:: 已调用 readMolecule，但没有可用于解析的输出！" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "运行 Open Babel 时发生错误 (%1)。" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "解析 openbabel 输出时出错。" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "检索受支持的力场列表时出错。 (using '%1')." #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "无效的分子。无法优化几何形状。" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "无法通过 Open Babel 优化几何结构。" #: qtplugins/openbabel/openbabel.cpp:471 msgid "Optimizing Geometry (Open Babel)" msgstr "优化几何结构 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "生成中…" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "生成当前分子的 Open Babel 表示时发生内部错误。" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "启动 %1…" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "步骤 %1 共%2\n" "当前的能量： %3\n" "dE： %4" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "正在更新分子…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "解释 Open Babel 输出时出错。" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "obabel 输出中的原子数 （%1） 与原始分子中的原子数 （%2） 不匹配。" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "无效的分子。无法生成构象异构体。" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "无法通过 Open Babel 生成构象异构体。" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "生成构象异构体 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "生成构象异构体" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "无法通过 Open Babel 打开文件。" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "无效的分子：无法推断化学键。" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "推断化学键 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "正在生成 XYZ 表示文件…" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "生成 XYZ 字符串时出错。" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "正在使用 %1 将 XYZ 转换为 Open Babel…" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "正在从 Open Babel 更新分子…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "无法通过 Open Babel 添加氢。" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 msgid "Adding Hydrogens (Open Babel)" msgstr "添加氢原子 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "正在生成 Open Babel 输入文件…" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "生成 Open Babel 输入时出错。" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "正在运行 %1…" #: qtplugins/openbabel/openbabel.cpp:876 msgid "Add hydrogens for pH" msgstr "添加特定pH下的氢原子" #: qtplugins/openbabel/openbabel.cpp:876 msgid "pH:" msgstr "pH值：" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "正在生成 obabel 输入文件…" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "无法通过 Open Babel 移除氢。" #: qtplugins/openbabel/openbabel.cpp:924 msgid "Removing Hydrogens (Open Babel)" msgstr "删除氢原子 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "生成 Open Babel 数据时出错。" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "正在读取 obabel 输出…" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "Open Babel 正在运行。请等待其他操作完成后再重试。" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "与 OpenBabel 实用工具交互。" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM 脚本…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM 输入" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "生成 OpenMM 输入。" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "您是否希望更新预览文本？这将丢失所有在 OpenMM 输入预览面板中所做的修改？" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "在角落渲染参考轴。" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "管理插件…" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "包安装器" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "安装，更新和移除 Avogadro 包。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "下载插件列表时错误：%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "错误：服务器响应为空。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "获取 README 文件时出错：%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "未选中任何项目" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "勾选插件旁的复选框以下载或更新。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "%1 (要求 %2)" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "版本不兼容性" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" "这些插件需要更新的 Avogadro 版本：\n" "\n" "%1\n" "\n" "仍要安装吗？" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "无可用下载" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" "所选插件未提供可下载的源 URL：\n" "\n" "%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "下载 %1 时重定向失败。\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "从 %1 下载时失败：状态 %2，%3\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "从 %1 下载时失败：%2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "正在下载 %1 到 %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "解压 %1...\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "解压完成 (%1 个文件)\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "错误：无法将解压后的包 %1 移动到 %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "解压错误：%1" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "解压未提取到文件。\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "安装完成。\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "无可移除项" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "勾选已安装插件旁的复选框以移除。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "移除插件" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "移除所选的 %n 个插件？" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "保留文件" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "删除文件" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "选择插件路径" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "无效目录" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "所选的目录下没有 pyproject.toml 文件。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "插件已经安装为符号链接：%1\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "创建符号链接：%1 → %2\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "符号链接创建失败；正在直接复制文件...\n" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "复制包到 %1 失败。" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "正在从 %1 下载插件...\n" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "未安装" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "已安装（已是最新版本）" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "有可用更新" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "已本地安装（不在在线目录中）" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "要求 Avogadro %1 或更新的版本（正在运行 %2）" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" "功能图标：\n" "%1" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "状态" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "版本" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "功能" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "描述" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "静电学" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "能量模型" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "文件格式" #: qtplugins/packageinstaller/packagemodel.cpp:570 msgid "Input Generators" msgstr "输入生成器" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "命令" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" "错误：无法打开 zip 文件以列出内容。\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" "错误：无法打开 zip 文件以提取文件。\n" "(%1)" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "警告：(%1)" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "播放器" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "动画工具\t(%1)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "帧：" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "起始：" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "终止：" #: qtplugins/playertool/playertool.cpp:138 msgid "Dynamic bonding?" msgstr "动态成键？" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "帧率：" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "播放" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "录像…" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "暂停" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "视频 (*.mp4)" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "导出位图图形" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "视频 (*.mp4);;视频 (*.avi);;动图 (*.gif)" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "动图 (*.gif)" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "GIF 帧率支持警告" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF 文件格式不支持 100 FPS 以上的帧率。" #: qtplugins/playertool/playertool.cpp:360 msgid "Movie (*.avi)" msgstr "视频文件 (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "错误：无法向视频中添加帧。" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "播放器工具" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "轨迹重放" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "绘制构象数据图…" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "构象异构体分析" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "绘图类型：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "RMSD" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "速度" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "能量单位：" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "to" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "相对能量 (%1)" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "力 (N)" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "速度 (m/s)" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "绘制构象异构体" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "生成并绘制构象异构体数据 (RMSD 或能量)。" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "绘制径向分布函数…" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "生成径向分布函数图像时失败" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "错误消息： " #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "绘制径向分布函数" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "生成并绘制径向分布函数曲线。" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "绘制理论预测 XRD 图像…" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "生成 XRD 图像失败" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "将分子转换为 CIF 格式失败。" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "从 genXrdPattern 读取的数据似乎被污染了！" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "错误：找不到 getXrdPattern 可执行文件！" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "错误： " #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "绘制 Xrd" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "使用 ObjCryst++ 生成并绘制理论 XRD 图像。" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "升级" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "下载插件数据时失败。" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "解析插件数据时失败。" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "该插件需要安装特定依赖包。\n" "是否安装？" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "总是" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "从不" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "从 %1 下载时失败：状态码 %2，%3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "正在提取 %1 到 %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "已完成 %1 份文件\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "提取成功\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "提取时出错：%1" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "安装已取消\n" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "下载插件…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "下载插件" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "从 Github 仓库下载插件。" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY 渲染…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 msgid "Save File" msgstr "保存文件" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;文本文件 (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "使用 PLY 渲染场景。" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray 渲染…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;文本文件 (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "使用 POV-Ray 渲染场景。" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "点击以更改颜色" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "化合价" #: qtplugins/propertytables/propertymodel.cpp:634 msgid "Formal Charge" msgstr "形式电荷" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 部分电荷" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "标签" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "同位素" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 msgid "Color" msgstr "颜色" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "原子" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "起始原子" #: qtplugins/propertytables/propertymodel.cpp:668 msgid "End Atom" msgstr "结束原子" #: qtplugins/propertytables/propertymodel.cpp:670 msgid "Bond Order" msgstr "键级" #: qtplugins/propertytables/propertymodel.cpp:674 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "长度 (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "链" #: qtplugins/propertytables/propertymodel.cpp:691 msgid "Secondary Structure" msgstr "二级结构" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "杂原子" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "顶点" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 msgid "Angle (°)" msgstr "键角 (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "能量 (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "调整片段" #: qtplugins/propertytables/propertymodel.cpp:1195 msgctxt "pi helix" msgid "π Helix" msgstr "π螺旋" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "弯曲" #: qtplugins/propertytables/propertymodel.cpp:1199 msgctxt "alpha helix" msgid "α Helix" msgstr "α螺旋" #: qtplugins/propertytables/propertymodel.cpp:1201 msgctxt "beta sheet" msgid "β Sheet" msgstr "β 折叠" #: qtplugins/propertytables/propertymodel.cpp:1203 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "310 螺旋" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "β 桥" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "转角" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "卷曲" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "原子属性…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "键属性…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "键角属性…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "扭转属性…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "残基属性…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "构象异构体属性…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "以表格形式显示和编辑原子、化学键、键角和扭转角等属性。" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "属性表格" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "原子属性" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "键属性" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "键角属性" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "扭转属性" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "构象异构体属性" #: qtplugins/propertytables/propertyview.cpp:61 msgid "Residue Properties" msgstr "残基属性" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "部分电荷类型" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "选择部分电荷类型：" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "更改电荷类型…" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "冻结原子" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "冻结 X 轴" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "冻结 Y 轴" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "冻结 Z 轴" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "释放原子" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "约束键" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "约束角" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "约束扭转" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "移除约束" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "无法读取文件 %1。" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "创建临时文件失败。" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM（分子中原子的量子理论）" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "使用 QTAIM 属性渲染原胞" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "分子图…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "带有孤对电子的分子图…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "原子电荷…" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "打开 WFN 文件" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN 文件 (*.wfn);;所有文件 (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM 拓展" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "量子输入" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "生成量子代码的输入。" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "居中" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "对齐视图到坐标轴" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "对齐视图到坐标轴。" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "重置视图" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "操纵视图相机。" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "脚本电荷模型" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "从外部脚本加载静电模型。" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "脚本文件格式" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "从外部脚本加载文本读取器/写入器。" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "全选" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "全不选" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "反转选择" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "按元素选择…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "按原子编号选择…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "按残基选择…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "选择骨架原子…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "选择侧链原子…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "选择水" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "增大选区" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "缩小选区" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "以选中内容创建新图层" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "更改选择" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "选择(&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "选择元素" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "选择骨架" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "选择侧链" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "按原子编号选择" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "要选择的原子：" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "选择原子" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "按残基选择原子" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "要选择的残基：" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "选择残基" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 msgid "Select" msgstr "选择" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "选择" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" "选择工具\t(%1)\n" "\n" "鼠标左键：单击以选中单个原子、残基或片段\n" "\t拖动以选择一定范围内的原子\n" "鼠标右键：分子外单击以清除选中内容\n" "使用 Ctrl 选中/取消选中，使用 Shift 添加到选区。\n" "双击：选择整个片段。" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "绘制原子" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "选择工具" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "新图层" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "推断空间群…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "对称化" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "约化为非对称单元" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "设置容差…" #: qtplugins/spacegroup/spacegroup.cpp:95 msgid "Fill Unit Cell…" msgstr "填充晶胞…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "填充平移胞…" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "空间群" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "按照晶体空间群填充对称原子。" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "按照晶体空间群填充所有原子。" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "推断空间群" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "空间群已经设定为： %1 。\n" "是否覆盖设置？" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" "空间群推断成功：\n" "容差：%1 Å\n" "空间群：%2\n" "Hall 记号：%3\n" "国际记号：%4" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "失败" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "空间群感知失败。\n" "是否以不同的容差值重试？" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "原胞约化" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "当前的容差值为：%1。\n" "是否以该值继续进行？" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "原胞约化失败。\n" "请检查晶体结构，并使用不同的容差重试。" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "晶胞转换为惯用胞失败。\n" "请检查晶体结构，并使用不同的容差重试。" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "对称化失败。\n" "请检查晶体结构，并使用不同的容差重试。" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" "在容差 %1 Å 的限制下，空间群推断为：\n" "国际数字标记：%2\n" "Hall 符号：%3\n" "国际符号：%4\n" "\n" "以该空间群继续进行？" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "选择 Å 为单位的容差：" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "三斜晶系" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "单斜晶系" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "正交晶系" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "四方晶系" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "三方晶系" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "菱方晶系" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "六方晶系" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "立方晶系" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "检测到原胞" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" "当前晶胞似乎是原胞（存在非 90° 角），但空间群 %1 能够指定一个居中惯用胞。\n" "\n" "填充晶胞可能会创造预期外的重复原子。\n" "\n" "需要先创建惯用胞吗？" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "惯用化晶胞失败。" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "国际" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "赫尔曼-莫甘" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "晶系" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "选择空间群" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "空间群" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "晶体的空间群特征。" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "绘制光谱…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 msgid "Spectra" msgstr "光谱" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "显示光谱谱图。" #: qtplugins/spectra/spectradialog.cpp:567 msgid "Infrared" msgstr "红外" #: qtplugins/spectra/spectradialog.cpp:571 msgid "Raman" msgstr "拉曼" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "振动圆二色谱" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "磁圆二色谱" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 msgid "Electronic" msgstr "电子能谱" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "圆二色性" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 msgid "Density of States" msgstr "态密度" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "选择背景颜色" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "选择前景颜色" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "选择理论光谱的颜色" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "选择原始光谱的颜色" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "选择导入的光谱的颜色" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "波长 (nm)" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "频率 (Hz)" #: qtplugins/spectra/spectradialog.cpp:751 msgid "Vibrational Spectra" msgstr "振动光谱" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "波数 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "透射率" #: qtplugins/spectra/spectradialog.cpp:765 msgid "Raman Spectra" msgstr "拉曼光谱" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "强度" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "振动圆二色性" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "磁圆二色性" #: qtplugins/spectra/spectradialog.cpp:804 msgid "NMR Spectra" msgstr "NMR 光谱" #: qtplugins/spectra/spectradialog.cpp:805 msgid "Chemical Shift (ppm)" msgstr "化学位移 (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 msgid "Electronic Spectra" msgstr "电子能谱" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "能量 (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "圆二色光谱" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "密度" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "平滑后" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "原始" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "导入的" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "导入数据" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "CSV 文件 (*.csv);;TSV 文件 (*.tsv)" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "表面" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "体积" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "样式：" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "渲染分子表面。" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "分子轨道…" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "轨道窗口" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "展示轨道列表。" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "轨道" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "对称" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "占有率" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "自旋" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "分子轨道" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "溶剂可达" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "排除溶剂" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "分子轨道" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "电子密度" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "自旋密度" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "分子轨道 %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "从文件" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " 共 %0" #: qtplugins/surfaces/surfaces.cpp:88 msgid "Create Surfaces…" msgstr "创建表面…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "按 van der Waals 表面渲染原子。" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "渲染分子的 van der Waals 表面。" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "渲染分子的溶剂可达表面。" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "渲染分子的排除溶剂表面。" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 msgid "Render a molecular orbital." msgstr "渲染分子轨道。" #: qtplugins/surfaces/surfaces.cpp:128 msgid "Render the electron density." msgstr "渲染电子密度。" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "渲染自旋密度。" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "渲染文件提供的立方体。" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "立方体 %1" #: qtplugins/surfaces/surfaces.cpp:624 msgid "Calculating electron density" msgstr "计算电子密度" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "计算自旋密度" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "计算分子轨道%L1" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "表面绘制完成" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "视频 AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "导出视频" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "视频 MP4 (*.mp4);;视频 AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "无法找到活动的渲染小组件，失败。" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "读取并渲染表面。" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "将场景渲染到 SVG 文件。" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "类" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "对称性…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "提供对称功能。" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "渲染对称元素。" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, qt-format msgid "Group %1" msgstr "群 %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "模板" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" "模板工具\t(%1)\n" "\n" "插入片段，包括金属中心。\n" "选择元素和配位结构，然后点击以插入一个片段。\n" "\n" "选择一个配体或官能团，然后在氢原子上点击以附加。" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "剪贴板" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "插入模板" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "插入配体" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "模板工具" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW 球的简化显示。" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 msgid "Start Animation" msgstr "开始动画" #: qtplugins/vibrations/vibrationdialog.cpp:40 msgid "Stop Animation" msgstr "停止动画" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "振动模式…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "显示振动模式对话框。" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "设置振动模式。" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "设置振幅。" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "开始振动动画演示。" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "停止振动动画演示。" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "振动" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "显示振动模式。" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML 渲染…" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;文本文件 (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "使用 VRML 渲染场景。" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "将分子渲染为线框。" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "计算键结构…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "无法计算能带结构：没有晶胞！" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop执行错误：\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "未能读取Yaehmop能带结构输出！" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "在Yaehmop输出中仅发现一个特殊k点！需要两个或以上！" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "k 空间" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "能带 %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "费米能级" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "无法找到Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 #, qt-format msgid "Error: %1 failed to start" msgstr "错误：%1 启动失败" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "Yaehmop输入" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "使用Yaehmop进行扩展Hückel方法计算。" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "对话" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "表单" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "计算设置" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "占位符文本…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "重置" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "调试脚本…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "提交计算…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "保存输入…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "队列与程序：" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "刷新" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "

为该作业保留的处理器内核数。

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "处理器内核：" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" "

作业完成时移除工作文件。结果仍将首先被复制到本地 " "MoleQueue 作业缓存。

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "在完成时删除远程文件：" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" "

勾选以默认阻止该作业出现在 MoleQueue GUI 界面中。

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "在 MoleQueue 中隐藏作业：" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" "

当作业状态变更时，显示系统弹窗提醒。

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "显示进度提醒：" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "完成时打开输出文件：" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "重命名元素" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "插入片段…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "筛选：" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "键入名称或部分名称以显示匹配的文件。" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "插入" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML 代码段" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "复制到剪贴板(&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "结构输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "从 PDB 生成输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB 文件：" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "力场:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "运行 PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "加载现有的 PQR 文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR 文件：" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS 输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "保存输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "运行 APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "完成!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "加载结构文件" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "加载立方体文件" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "部分电荷" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "电荷模型:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "距离容差：" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "最小距离：" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "仅有conda “base”环境。\n" "是否为Avogadro创建新环境？\n" "这将会生成你base环境的副本。\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "环境名称：" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "选择运行脚本的Python版本。\n" "Avogadro必须重启以生效。" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "环境：" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "添加约束" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "类型：" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "原子索引：" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "值：" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "添加" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "选项" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "获取约束" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "删除所选项" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "全部删除" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "确定" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "坐标编辑器" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "预设：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "距离单位：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "埃" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "玻尔" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "格式：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" "

格式规范。每个字符表示为每个原子写入的一个值：

" "# - 原子索引（1, 2, ..., numAtoms" "）
Z - 原子序数（例如“6”表示碳" "）
G - GAMESS 格式的原子序数（例" "如“6.0”表示碳）
N - 元素名称（例" "如“Carbon”）
S - 元素符号（例如“" "C”表示碳）
L - 原子标签（例如“C2" "”表示第二个碳原子，“H1”表示第一个氢原子）
x - X 坐标
y - Y 坐标
z - Z 坐标
" "a - 晶格坐标 a（仅晶体）
b - 晶格坐标 b（仅晶体）
c - 晶格坐标 c（仅晶体）
_ - 一个空格字符（\" \"），用于对齐
" "0 - 字面量“0”，用于优化标志
" "1 - 字面量“1”，用于优化标志

" "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "帮助…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "粘贴" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "撤销" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) msgid "Clear" msgstr "清除" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "应用" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K 输入" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "全部重置" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "默认" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "保存文件…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "基本设置(&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "标题:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "基础文件名：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "作业" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "计算：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "基组：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "泛函" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "分子力学" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "力场参数：Emax / 样条插值 / 自旋" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "力场截断半径" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "泊松求解：Ewald 类型" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "泊松求解：Ewald 参数 α" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "泊松求解：Ewald 最大 G 向量" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "量子力学" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "局域自旋密度近似" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "SCF 最大迭代步数" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "SCF 收敛阈值" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF 初猜" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "外层 SCF 最大迭代步数" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "外层 SCF 收敛阈值" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T 最小化器" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "Open Babel 转换的文件拓展名 （默认 - Avogadro::POSCAR）：" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "超晶胞参数" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "超晶胞选项" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 重复:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 重复:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 重复:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "晶胞点阵：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "分数阶矩阵：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "转换原子(&T)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "应用(&A)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "撤销(&R)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "隐藏(&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "比例缩放晶胞体积" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "新建体积(&V)：" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "缩放因子(&S)：" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "当前体积：" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "文本标签" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "键级：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "几何形状优化参数" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "收敛判据" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "能量收敛：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "步限制：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " 单位" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " 步骤" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "梯度收敛：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "优化方法" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "力场：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "自动检测" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS输入" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "输入：" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "CONV 阈值" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "多重度：" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "电荷:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "从 PQR 导入…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "搜索" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "名称" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "标签" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "同义词" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "化学式" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "搜索： " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "化学式：" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "下载" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "名称：" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "插入核酸" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA 构建器" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "核酸：" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "腺嘌呤" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "胞嘧啶" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "鸟嘌呤" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "序列:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "螺旋结构每圈的碱基对数" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Other" msgstr "其它" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "每圈碱基对数：" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "链：" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "单链" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "双链" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "多肽构建器" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "丙氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "精氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "天冬酰胺" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "天冬氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "半胱氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "谷氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "谷氨酰胺" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "甘氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "组氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "异亮氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "缬氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "酪氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "色氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "苏氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "丝氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "脯氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "Pro" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "苯丙氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "甲硫氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "赖氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "亮氨酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "氨基酸：" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "序列 (N to C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "立体化学:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N端:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C端:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "结构：" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "直链" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "α 螺旋" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "β 折叠" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "310 螺旋" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "π 螺旋" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "链编号:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "新多肽所用的链编号" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS 输入" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "输入文件注释" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "选择模拟中使用的单位格式。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "单位体系" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "真实" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "金属" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "电子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "溶剂势" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "选择数据文件采用的 atom_style。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "原子类型" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "角度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic（原子型，无键连接）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond（含键相互作用的分子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge（带电原子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole（偶极子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid（椭球粒子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full（完整分子类型，含键、角、电荷等）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line（线性粒子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso（介观粒子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular（分子型，含拓扑信息）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri（周体动力学粒子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere（球形粒子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri（三角面片粒子类型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket（波包粒子类型，量子相关模型）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "指定坐标文件的名称。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "坐标数据文件" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "系综" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT（恒粒子数-体积-温度系综）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE（恒粒子数-体积-能量系综）" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "温度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "在 NVT 系综中选择 Nosé–Hoover 链的数量。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Nosé–Hoover 链数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "模拟时间步长（单位遵循“单位体系”设置）。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "时间步长" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "模拟中写入的XYZ文件名称。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "导出 XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "系统维度数。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "维度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "更改 Z 方向边界条件。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "更改 Y 方向边界条件。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "更改 X 方向边界条件。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "选择 X、Y、Z 方向的边界条件类型。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "边界条件" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "X、Y、Z 方向的重复次数。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "重复" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "在 X 方向上复制。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "在 Y 方向上复制。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "在 Z 方向上复制。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "运行模拟的总时间步数。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "总步数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "导出间隔" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "为模拟设置初始原子速度。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "初始速度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "选择初始原子速度的分布。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "高斯分布" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "均匀分布" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "按指定温度生成初始原子速度。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "从初始速度中移除系统线性动量。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "线性动量归零" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "从初始速度中移除系统角动量。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "角动量归零" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "控制模拟过程中的热力学输出。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "输出" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "输出间隔" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "二维" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "三维" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "热力学输出样式。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "单行" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "多行" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "使用表单" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "生成…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "描述符：" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "平移量：" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "旋转轴：" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "原点" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "分子中心" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "选区中心" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X 轴" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y 轴" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z 轴" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "移动：" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "选中原子" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "其余部分" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "搜索构象异构体" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "算法" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "构象异构体数量：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "系统性旋转搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "随机旋转搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "权重旋转搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "遗传算法搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "每个构象的优化次数：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "遗传算法选项" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "每个父结构生成的子代数量" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "子代数量：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "变异频率（数值越小表示变异越频繁）" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "变异率：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "判定收敛前允许的相同代数" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "收敛代数：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "评分方法：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "遗传算法评分方法（RMSD = 几何距离，energy = 最低能量）" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "优化算法：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "线搜索方法：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "最速下降法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "共轭梯度法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "普通" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "牛顿法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "限制非成键相互作用" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "范德华截止距离：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "配对更新频率：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "静电作用截止距离：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "“能量”收敛：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM 脚本构建器" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "作业脚本：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "脚本" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "输入坐标：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "输入拓扑：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "力场：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "水模型：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "隐式溶剂模型（OBC）" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "平台：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "参考" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "精度：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "单精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "混合精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "双精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "设备索引：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL 平台索引：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "非键相互作用方法：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "无截断" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "非周期性截断" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "周期性截断" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald 求和" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald 容差：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "约束条件：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "氢键" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "所有键" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "含氢角度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "约束容差：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "刚性水分子？" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "非键截断：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "随机初始速度：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "生成温度：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "积分器：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin 动力学" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet 积分" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "布朗动力学" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "可变步长 Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "可变步长 Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "误差容差：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "碰撞速率：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "压力调节器：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "蒙特卡罗方法" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "压强：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "气压调节器间隔" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "报告器：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "状态数据" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "输出间隔：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "平衡阶段步数：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "生产阶段步数：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "最小化？" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "最大最小化步数：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "状态数据选项：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "步数索引" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "时间" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "速度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "进度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "势能" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "动能" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "总能量" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "搜索插件…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "从目录安装…" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "移除所选插件" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "安装 / 更新所选插件" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF 绘图选项" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "最大半径：" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "步长 (dr)：" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "理论 XRD 图选项" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "

峰底展宽（度）。

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" "

最大 2theta 值（度）

默认值：162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" "

峰底展宽（度）。

默认值：0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "点数：" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "峰宽：" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "波长：" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" "

X 射线波长（Å）

默认值：1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" "

需要生成的 2theta 点数量。

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "最大 2θ：" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "下载所选项" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "临界点半径：" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "键路径半径：" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "共价" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "恒定大小" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "应用颜色" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "光谱可视化" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "缩放因子：" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X 轴最小值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X 轴最大值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "偏移量：" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y 轴最大值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y 轴最小值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "峰宽：" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "峰阈值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "单位：" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "外观(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "设置颜色…" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "导入光谱:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "字体大小：" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "线宽：" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "显示" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "导入实验光谱 tsv 文件以覆盖当前绘图。" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "导入(&I)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "背景：" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "计算所得光谱：" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "原始光谱：" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "导出(&E)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "导出数据" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "关闭(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "选项(&O)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "控制:\n" "双击左键: 恢复默认坐标轴范围\n" "右击+拖动: 移动绘图\n" "中击+拖动: 缩放到区域\n" "滚轮: 按光标缩放" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "加载数据(&L)…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "质量： " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "非常低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "中" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "非常高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "渲染" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "配置" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "创建表面" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "表面：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "着色依据：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "静电势" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "分辨率：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "等值面值：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "平滑：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "明亮" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "强" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "计算" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "录制视频…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "分子" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "对称等价原子：" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "锁定对称" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "操作" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "对称元素：" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "子群" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "子群：" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "容差：" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "紧密" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "正常" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "宽松" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "非常宽松" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "检测对称" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "中心" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "形式电荷：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "坐标：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6：八面体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1：线性" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2：线性" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3：平面三角" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4：四面体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4：平面四方" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5：三角双锥" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5：四方锥" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6：三棱柱" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7：五角双锥" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8：四方反棱柱" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "配体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "单齿配体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "双齿配体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "三齿配体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "四齿配体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "六齿配体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "触控" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "从剪贴板" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "配体：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "群" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "群：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "酰胺" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "羧酸盐" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "酯" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "乙烯" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "乙炔" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "硝基" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "苯基" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "磷酸盐" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "磺酸盐" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "振动模式" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "幅度：" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop 能带" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "最小 y 值： " #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" "

勾选此项前需要知道费米能级。费米能级可以从态密度计算中" "得到（在数据的顶部）。如果已经进行了态密度计算，此处的费米能级将自动采用计算" "结果。

若勾选此项，请确保右侧输入框中的费米能级已正确设置。

默认" "值：关闭

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "绘制费米能级？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" "

调整能量，使零为费米能级？仅在绘制费米能级时可用。


默认：关闭

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "归零费米能级？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "连接特殊 k 点的中间 k 点数：" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "特殊 k 点" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "最大 y 值： " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "

费米能级

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" "

按以下格式输入特殊 k 点：

L 0.5 0.5 0.5

G " "0.0 0.0 0.0

X 0.5 0.0 0.5

即， <符号> <x> <y> " "<z>x、y、z 为分数倒易空间坐标。绘图时将按输入顺序连接这些 k 点。晶胞方" "向可能会影响倒易空间点的位置。

如果已设置或推断出晶体空间群，软件会自动" "填充该空间群原胞的高对称 k 点。某些空间群的高对称点会随晶格参数不同而变化（" "如 a > b 或 a < b），软件会自动处理。

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" "\n" "\n" "

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" "

输入连接特殊 k 点的中间 k 点数。中间点越多，图像越平滑" "，但计算时间可能更长。

默认值：40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" "

限制图像 y 轴范围？

默认值：关闭

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "限制 y 范围？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" "

周期维度数。


若设置为 1，材料将" "仅在晶体的 A 轴方向上周期拓展。


若设置为 2，材料将同时在" "晶体的 A 轴、B 轴方向上周期拓展。


若设置为 3，材料将同时" "在晶体的 A 轴、B 轴、C 轴方向上周期拓展。


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "维度数：" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "显示 Yaehmop 输入？" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Launchpad Contributions: Ann J,Avogadro Team,Chen Siqiong,Chen Yang,Chiyu " "Liang,Colin Zhao,David Gao,Feng Chao,MarkWu,Tao Wei,Wylmer Wang,Xinfeng,Ye " "Qing,ZhangCheng,cuiweicui,tmpplus,yjjart,郑思涵,英华,张腾烁" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "cuiweicui1985@gmail.com,rainofchaos@gmail.com,yjjart@gmail.com,sihanzheng@gmail.com,weitao1979@gmail.com,wantinghard@gmail.com,avogadro-" "devel@lists.sourceforge.net,chensiqiong@126.com,frankensteinyang@gmail.com,chaofeng111@gmail.com,allen19920930@gmail.com,skyxxzc@gmail.com,sihanzheng@gmail.com,cyliang532@gmail.com,zhangtengshuo@gmail.com" #, qt-format #~ msgid "Option '%1' does not refer to an object." #~ msgstr "选项 '%1' 未指向对象。" #, qt-format #~ msgid "Tab %1" #~ msgstr "标签页 %1" #, qt-format #~ msgid "Error: value must be object for key '%1'." #~ msgstr "错误：值必须为键 '%1' 的对象。" #~ msgid "Edit Color Opacity Map…" #~ msgstr "编辑颜色透明度图…" #~ msgid "ColorOpacityMap" #~ msgstr "颜色透明度图" #~ msgid "Edit color opacity maps, primarily for volume rendering." #~ msgstr "编辑颜色透明度图，主要用于体积渲染。" #~ msgid "Volume Rendering" #~ msgstr "体渲染" #~ msgid "Enable volume rendering" #~ msgstr "启用体渲染" #~ msgid "Enable surface rendering" #~ msgstr "启用表面渲染" #, qt-format #~ msgid "Error retrieving metadata for energy script: %1" #~ msgstr "检索能量脚本的元数据时出错： %1" #, qt-format #~ msgid "Error parsing metadata for energy script: %1" #~ msgstr "解析能量脚本的元数据时出错： %1" #, qt-format #~ msgid "" #~ "Error parsing metadata for energy script: %1\n" #~ "Result is not a JSON object.\n" #~ msgstr "" #~ "解析能量脚本的元数据时出错： %1\n" #~ "结果不是 JSON 对象。\n" #, qt-format #~ msgid "Cannot load script %1" #~ msgstr "无法加载脚本 %1" #, qt-format #~ msgid "Checking for %1 scripts in path %2" #~ msgstr "正在检查路径 %2 中的 %1 脚本" #, qt-format #~ msgid "%L1°" #~ msgstr "%L1°" #, qt-format #~ msgid "%L1 Å" #~ msgstr "%L1 Å" #~ msgid " Å" #~ msgstr " Å" #, qt-format #~ msgid "%1 %L2" #~ msgstr "%1 %L2" #, fuzzy #~ msgid "Angles:" #~ msgstr "角度：" #~ msgid " °" #~ msgstr " °" #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "取消" #~ msgid "Å" #~ msgstr "Å" #~ msgid "°" #~ msgstr "°" #~ msgid " " #~ msgstr " " #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(待定)" #, fuzzy #~ msgid "unknown molecule" #~ msgstr "不明分子" #, fuzzy #~ msgid " & " #~ msgstr " & " #~ msgid "Reference Axes Overlay" #~ msgstr "参考轴叠加" #~ msgid "Meshes" #~ msgstr "网" #~ msgid "Plot RMSD curve…" #~ msgstr "绘制 RMSD 曲线…" #~ msgid "PlotRmsd" #~ msgstr "PlotRmsd" #~ msgid "Generate and plot an RMSD curve." #~ msgstr "生成并绘制 RMSD 曲线。" #, fuzzy, qt-format #~ msgid "" #~ "Atom Label Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "原子标签工具\t(%1)\n" #~ "\n" #~ "鼠标左键：在原子上点击以添加自定义标签" #, fuzzy, qt-format #~ msgid "" #~ "Bond Centric Manipulation Tool\t(%1)\n" #~ "\n" #~ "Left Mouse:\tClick and drag to rotate the view.\n" #~ "Middle Mouse:\tClick and drag to zoom in or out.\n" #~ "Right Mouse:\tClick and drag to move the view.\n" #~ "Double-Click:\tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "化学键操作工具\t(%1)\n" #~ "\n" #~ "鼠标左键：按下并拖动以旋转视图。\n" #~ "鼠标中键：按下并拖动以缩放。\n" #~ "鼠标右键：按下并拖动以移动视图。\n" #~ "双击：重设视图。\n" #~ "\n" #~ "鼠标左键 & 在化学键上拖动以设置操作平面：\n" #~ "鼠标左键 & 在成键原子上拖动以改变键角\n" #~ "鼠标右键 & 在成键原子上拖动以改变键长" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "用于显示原子、化学键、键角和扭矩属性的窗口。" #~ msgid "" #~ "Align Molecules\n" #~ "\n" #~ "Left Mouse: \tSelect up to two atoms.\n" #~ "\tThe first atom is centered at the origin.\n" #~ "\tThe second atom is aligned to the selected axis.\n" #~ "Right Mouse: \tReset alignment.\n" #~ "Double-Click: \tCenter the atom at the origin." #~ msgstr "" #~ "对齐分子\n" #~ "\n" #~ "鼠标左键：选择至多两个原子。\n" #~ "\t第一个原子将被放置于原点。\n" #~ "\t第二个原子将被对齐到选定的坐标轴。\n" #~ "鼠标右键：重置对齐。\n" #~ "鼠标双击：将原子放置在原点。" #~ msgid "" #~ "Default:\t Scroll down to shrink, scroll up to zoom\n" #~ "Reversed:\t Scroll up to shrink, scroll down to zoom" #~ msgstr "" #~ "默认：向下滚动以缩小，向上滚动以放大\n" #~ "反向：向上滚动以缩小，向下滚动以放大" #~ msgid "Render polygon meshes." #~ msgstr "渲染多边形网格。" #~ msgid "&Analysis" #~ msgstr "分析(&A)" #~ msgid "∞" #~ msgstr "∞" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "导入(&I)…" #~ msgid "Set Color..." #~ msgstr "设置颜色..." #~ msgid "&Export..." #~ msgstr "导出(&E)…" #~ msgid "&Load data..." #~ msgstr "载入数据(&L)…" #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "部分电荷" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "化学键操作工具\n" #~ "\n" #~ "鼠标左键：按下并拖动以旋转视图。\n" #~ "鼠标中键：按下并拖动以缩放。\n" #~ "鼠标右键：按下并拖动以移动视图。\n" #~ "双击：重设视图。\n" #~ "\n" #~ "鼠标左键 & 在化学键上拖动以设置操作平面：\n" #~ "鼠标左键 & 在成键原子上拖动以改变键角\n" #~ "鼠标右键 & 在成键原子上拖动以改变键长" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "绘制工具\n" #~ "\n" #~ "鼠标左键：按下并拖动以创建原子和化学键\n" #~ "鼠标右键：删除原子" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "原子标签工具\n" #~ "\n" #~ "鼠标左键：在原子上点击以添加自定义标签" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "测量工具\n" #~ "\n" #~ "鼠标左键：选择至多四个原子。\n" #~ "\t将测量原子1-2和原子2-3之间的距离\n" #~ "\t将角度原子1-3的角度，以2号原子为顶点\n" #~ "\t将按1-2-3-4的顺序测定二面角\n" #~ "鼠标右键: \t重置测量。" #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "导航工具\n" #~ "\n" #~ "鼠标左键：点击并拖动以旋转视角。\n" #~ "鼠标中键：点击并拖动以缩放。\n" #~ "鼠标右键：点击并拖动以移动视角。\n" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "动画" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "选择工具\n" #~ "\n" #~ "鼠标左键：单击以选中单个原子、残基或片段\n" #~ "\t拖动以选择一定范围内的原子\n" #~ "鼠标右键：分子外单击以清除选中内容\n" #~ "使用 Ctrl 选中/取消选中，使用 Shift 添加到选区。\n" #~ "双击：选择整个片段。" #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "模板工具\n" #~ "\n" #~ "插入片段，包括金属中心。\n" #~ "选择元素和配位结构，然后点击以插入一个片段。\n" #~ "\n" #~ "选择一个配体或官能团，然后在氢原子上点击以附加。" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "操作工具\n" #~ "\n" #~ "鼠标左键：点击并拖动以移动原子\n" #~ "鼠标右键：点击并拖动以旋转选中的原子。\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "带环境光遮挡的 VdW 球的简化显示。" #~ msgid "Geometry" #~ msgstr "几何结构" #~ msgid "Add Unit Cell" #~ msgstr "添加晶胞" #~ msgid "By Atomic Index" #~ msgstr "原子编号" #~ msgid "By Distance" #~ msgstr "按距离" #~ msgid "Select Water…" #~ msgstr "选择水…" #~ msgid "&Copy" #~ msgstr "复制(&C)" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "分子电荷:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "分子量 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "化学方程:" #~ msgid "Number of Atoms:" #~ msgstr "原子的数量:" #~ msgid "Number of Bonds:" #~ msgstr "化学键的数量:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "跳转尺度:" #~ msgid "In." #~ msgstr "输入。" #~ msgid "El." #~ msgstr "元素名" #~ msgid "El.&No." #~ msgstr "元素与编号" #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "APBS 输入文件 (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "选择用以运行输入文件生成脚本的 Python 解释器。\n" #~ "更改将在 Avogadro 重启后生效。" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "片段..." #~ msgid "Submit Calculation..." #~ msgstr "提交计算..." #~ msgid "Other..." #~ msgstr "其它..." #~ msgid "Filename" #~ msgstr "文件名" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "加载结构文件" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "导航" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "导航" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "元素名称。" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "所有文件 (*);;" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "二面体：" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "插入分子..." #, fuzzy #~| msgid "Error Pasting Molecule" #~ msgid "Generating 3D molecule..." #~ msgstr "错误粘贴分子" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #, fuzzy #~ msgid "Crystal..." #~ msgstr "晶体..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "添加pH为...时的氢键" #~ msgid "Atom Properties..." #~ msgstr "原子属性..." #~ msgid "Bond Properties..." #~ msgstr "键属性..." #~ msgid "Angle Properties..." #~ msgstr "键角属性..." #~ msgid "Torsion Properties..." #~ msgstr "扭转属性..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "分子属性..." #~ msgid "Create Surfaces..." #~ msgstr "创建表面..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "对称" #~ msgid "&Exit" #~ msgstr "退出(&E)" #~ msgid "Insert Fragment..." #~ msgstr "插入片段..." #~ msgid "Theory:" #~ msgstr "理论:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "距离：%L1 Å" #~ msgid "Rotatable" #~ msgstr "可旋转的" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "构象异构体%1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "构象异构体%1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "角度%1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "构象异构体%1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "扭转 %1" #~ msgid "Torsion" #~ msgstr "扭转" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "能量 (kJ/mol):" #, fuzzy #~ msgid "Yes" #~ msgstr "年" #, fuzzy #~ msgid "No" #~ msgstr "氖" #, fuzzy #~ msgid "&Quantum" #~ msgstr "&量子" #, fuzzy #~ msgid "Import" #~ msgstr "导入" #~ msgid "Insert SMILES" #~ msgstr "插入SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "插入SMILES片段:" #~ msgid "Insert Crystal" #~ msgstr "插入晶体" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "插入分子片段以构建更大的分子" #~ msgid "E&xtensions" #~ msgstr "扩展(&X)" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "优化几何结构(&O)" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "几何优化" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "添加氢原子" #, fuzzy #~ msgid "Stopped" #~ msgstr "停止" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "表面" #~ msgid "Color by Index" #~ msgstr "按索引着色" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "按索引着色 (红，橙，黄，绿，蓝，紫)" #~ msgid "Color by Partial Charge" #~ msgstr "按部分电荷着色" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "按原子部分电荷着色（蓝色=正电荷，红色=负电荷。）" #~ msgid "Custom Color:" #~ msgstr "自定义颜色：" #~ msgid "Set custom colors for objects" #~ msgstr "为物体设置自定义颜色" #~ msgid "Color by Distance" #~ msgstr "按距离着色" #~ msgid "Color by distance from the first atom." #~ msgstr "按与第一个原子的距离远近着色。" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "按元素着色 (碳=灰色，氧=红色，...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "按残基着色（氨基酸类型，疏水性，...）" #~ msgid "SMARTS Pattern:" #~ msgstr "SMART 模式：" #~ msgid "Highlight Color:" #~ msgstr "高亮颜色：" #~ msgid "Color by SMARTS Pattern" #~ msgstr "以 SMARTS 模式着色" #~ msgid "Ununtrium" #~ msgstr "Uut" #~ msgid "Ununpentium" #~ msgstr "Uup" #~ msgid "Ununseptium" #~ msgstr "Uus" #~ msgid "Ununoctium" #~ msgstr "Uuo" #~ msgid "Engines" #~ msgstr "引擎" #~ msgid "Axes" #~ msgstr "轴" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "以球（原子）和棍（键）模式渲染几何体" #~ msgid "Hydrogen Bond" #~ msgstr "氢键" #~ msgid "Renders hydrogen bonds" #~ msgstr "渲染氢键" #~ msgid "Select Atom Labels Color" #~ msgstr "选择原子标签颜色" #~ msgid "Select Bond Labels Font" #~ msgstr "选择键标签字体" #~ msgid "Polygon" #~ msgstr "多边形" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "将原子渲染为正四面体，正八面体，以及其它多面体" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "将蛋白质骨架渲染为带状" #~ msgid "Ring" #~ msgstr "环" #~ msgid "Renders rings with colored planes" #~ msgstr "将环渲染为彩色平面" #~ msgid "Simple Wireframe" #~ msgstr "简单线框" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "将化学键渲染为线框 (线)，对大分子较合适" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals球体" #~ msgid "Stick" #~ msgstr "棒状" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "电子密度, 等高面 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 等高面 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "将键渲染为线框（线），对于大的（生物）分子很理想" #~ msgid "Trajectory files" #~ msgstr "轨道文件" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "添加.avi扩展名" #~ msgid "Animation..." #~ msgstr "动画" #~ msgid "Cannot read file format of file %1." #~ msgstr "无法读取文件 %1 的格式" #~ msgid "Read trajectory file %1 failed." #~ msgstr "读取轨迹文件 %1 失败" #~ msgid "Must specify a valid .avi file name" #~ msgstr "必须指定一个有效的.avi文件名" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "为保存视频用的GL小工具没有正确初始化" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "无效的文件名。必须包含完整路径。" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "无效的文件名。必须包含完整路径和文件名，以.avi结尾。" #~ msgid "Could not determine format from filename: %1" #~ msgstr "无法从文件名 %1 猜测出文件格式" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "将轨迹、反应和振动进行动画化。" #~ msgid "Cartesian Editor..." #~ msgstr "笛卡尔坐标编辑器..." #~ msgid "Cartesian editor" #~ msgstr "笛卡尔编辑器" #~ msgid "Number of atoms: %1" #~ msgstr "原子个数: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "可旋转化学键个数: %1" #~ msgid "Add constraint" #~ msgstr "添加限制条件" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "您的分子必须包含至少一个原子才能添加限制条件" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "您的分子必须包含至少两个原子以添加化学键限制条件" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "您的分子必须包含至少三个原子以添加键角限制条件" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "您的分子必须包含至少四个原子以添加扭转限制条件" #~ msgid "&Crystallography" #~ msgstr "&结晶学" #~ msgid "&Length Unit" #~ msgstr "&长度单位" #~ msgid "&Angle Unit" #~ msgstr "&角度单位" #~ msgid "&Matrix Display" #~ msgstr "矩阵显示(&M)" #~ msgid "Hide &Editors" #~ msgstr "隐藏编辑器(&E)" #~ msgid "Show &Editors" #~ msgstr "显示编辑器(&E)" #~ msgid "Hide &Property Display" #~ msgstr "隐藏属性显示(&P)" #~ msgid "Show &Property Display" #~ msgstr "显示属性显示(&P)" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "晶格类型：%1" #~ msgid "Undefined" #~ msgstr "未定义" #~ msgid "&Fill Unit Cell" #~ msgstr "填充晶胞(&F)" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "使用当前空间群填充晶胞。" #~ msgid "&Bohr" #~ msgstr "玻尔(&B)" #~ msgid "&Nanometer" #~ msgstr "纳米(&N)" #~ msgid "&Picometer" #~ msgstr "皮米(&P)" #~ msgid "&Degree" #~ msgstr "度数(&D)" #~ msgid "&Radian" #~ msgstr "弧度(&R)" #~ msgid "Display &cartesian coordinates" #~ msgstr "显示笛卡尔坐标(&C)" #~ msgid "Display &cartesian matrix" #~ msgstr "显示笛卡尔矩阵(&C)" #~ msgid "&Crystal View Options..." #~ msgstr "晶体视图选项(&C)..." #~ msgid "Set Fractional Coordinates" #~ msgstr "设定分数坐标" #~ msgid "Working..." #~ msgstr "正在进行..." #~ msgid "Build" #~ msgstr "构建" #~ msgid "Please select one or more atoms." #~ msgstr "请选择一个或多个原子。" #~ msgid "Trajectory..." #~ msgstr "轨迹..." #~ msgid "Open chemical file format" #~ msgstr "打开化学文件格式" #~ msgid "Chemical files (*.xyz)" #~ msgstr "化学文件 (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "化学文件 (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "导入轨迹" #~ msgid "Import trajectory files" #~ msgstr "导入轨迹文件" #~ msgid "Calculate Energy" #~ msgstr "计算能量" #~ msgid "Conformer Search..." #~ msgstr "搜寻构象异构体" #~ msgid "Constraints..." #~ msgstr "限制条件" #~ msgid "Systematic Rotor Search" #~ msgstr "系统性旋转搜索" #~ msgid "Random Rotor Search" #~ msgstr "随机性旋转搜索" #~ msgid "Weighted Rotor Search" #~ msgstr "权重旋转搜索" #~ msgid "ForceField" #~ msgstr "力场" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "优化分子并用分子动力学力场生成构象异构体" #~ msgid "&Vector Graphics..." #~ msgstr "&矢量图形..." #~ msgid "Common vector image formats" #~ msgstr "普通矢量图格式" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "矢量图输出" #~ msgid "Change H to Methyl" #~ msgstr "将氢替换为甲基" #~ msgid "H to Methyl" #~ msgstr "氢到甲基" #~ msgid "H2Methyl" #~ msgstr "氢到甲基" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "将氢原子转换为甲基" #~ msgid "Add or remove hydrogens" #~ msgstr "添加或删除氢原子" #~ msgid "Peptide..." #~ msgstr "多肽..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "插入寡多肽序列" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "未知" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "偶极矩估计值（D）:" #~ msgid "Display standard molecular properties." #~ msgstr "显示标准分子属性。" #~ msgid "Fetch from URL..." #~ msgstr "从URL获取..." #~ msgid "PDB Entry" #~ msgstr "PDB项目" #~ msgid "PDB entry to download." #~ msgstr "下载PDB项目。" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "从URL下载分子。" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "特定的分子无法载入: %1" #~ msgid "Network Fetch" #~ msgstr "网络获取" #~ msgid "Fetch molecule files over the network." #~ msgstr "从网络获取分子文件。" #~ msgid "Show Preview" #~ msgstr "显示预览" #~ msgid "Hide Preview" #~ msgstr "隐藏预览" #~ msgid "Save POV-Ray rendered image" #~ msgstr "保存用POV-Ray渲染的图像" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "图像文件 (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "没有提供有效的文件名。" #~ msgid "Does not compute." #~ msgstr "没有计算。" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "你要求不要直接用POV-Ray渲染，并且不保存POV-Ray文件。这会导致没有任何输出被" #~ "保存。你确定这是你希望的么？" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "无法写入到文件%1。是否拥有写入到该地址的许可？" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray启动失败。" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "POV-Ray未能启动。可能是因为可执行文件的路径设置不正确。" #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "创建POV-Ray文件并用命令行POV-Ray程序渲染。" #~ msgid "Conformer Properties..." #~ msgstr "构象属性..." #~ msgid "Python Terminal" #~ msgstr "Python终端" #~ msgid "pythonTerminalDock" #~ msgstr "python终端托盘" #~ msgid "Interactive python scripting terminal" #~ msgstr "交互式Python脚本终端" #~ msgid "QM Matches" #~ msgstr "量子力学匹配" #~ msgid "You must make a selection!" #~ msgstr "您必须进行选择" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES 不能转换" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES 格式转换不能使用" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "为GAMESS量子化学软件包创建输入文件" #~ msgid "Advanced Settings Changed" #~ msgstr "高级设置更改" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "高级设置已更改.\n" #~ "要放弃吗?" #~ msgid "Advanced Settings Reset" #~ msgstr "重设高级设置" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您确定要重设高级设置吗?\n" #~ "所有改动都将丢失!" #~ msgid "Basic Settings Reset" #~ msgstr "基本设置重设" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您确定要重设基本设置吗?\n" #~ "所有改动都将丢失!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian输入卡片生成器警告" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian输入卡片" #~ msgid "Gaussian Running." #~ msgstr "Gaussian正在运行。" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian已经在运行了。请等待之前的计算完成。" #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian没有被安装。" #~ msgid "The G03 executable, cannot be found." #~ msgstr "无法找到G03的可执行程序。" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03没有启动。也许它没有被正确安装。" #~ msgid "Running Gaussian calculation..." #~ msgstr "运行Gaussian计算..." #~ msgid "G03 Crashed." #~ msgstr "G03崩溃了。" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian没有正常运行，也许是因为它没有被正确安装。" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC输入警告" #~ msgid "MOPAC Running." #~ msgstr "MOPAC正在运行。" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC已经在运行了。请等待前期计算的完成。" #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC没有安装。" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "未能找到MOPAC可执行文件。" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC没有启动。也许是因为它没有被正确安装。" #~ msgid "Running MOPAC calculation..." #~ msgstr "运行MOPAC计算..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC崩溃了。" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC没有正确运行。也许是因为它没有被正确安装。" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem输入卡片生成器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "您是否希望更新预览文字，并丢失所有在NWChem输入卡片预览面板中所做的更改？" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem输入卡片生成器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "您是否想更新预览文本，并丢失所有在Q-Chem输入卡片预览面板中所做的修改？" #~ msgid "Select SMARTS..." #~ msgstr "选择SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "添加已命名的选择" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS选择" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS模版选择" #~ msgid "There is no current selection." #~ msgstr "当前没有选择。" #~ msgid "Add Named Selection" #~ msgstr "添加已命名的选择" #~ msgid "Name cannot be empty." #~ msgstr "名称不能为空。" #~ msgid "There is already a selection with this name." #~ msgstr "该名称已经有对应的选择了。" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "选择原子，键，残基..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL着色器..." #~ msgid "Open a vertex shader source file" #~ msgstr "打开顶点着色器源文件" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "顶点着色器文件 (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "打开片段着色器源文件" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "片段着色器文件 (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "打开着色器参数文件" #~ msgid "Shader parameters files (*.params)" #~ msgstr "着色器参数文件 (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL着色器" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "载入并使用OpenGL 2.0 GLSL着色器" #~ msgid "Transmittance (%)" #~ msgstr "透射比 (%)" #~ msgid "Absorbance (%)" #~ msgstr "吸光度 (%)" #~ msgid "No intensities" #~ msgstr "没有强度" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "您加载的分子振动数据没有任何强度数值。强度应当被赋予一个数值以便显示。" #~ msgid "X Axis" #~ msgstr "X 轴" #~ msgid "Y Axis" #~ msgstr "Y 轴" #~ msgid "&Infrared Spectra Settings" #~ msgstr "红外光谱设置(&I)" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "核磁共振" #~ msgid "&NMR Spectra Settings" #~ msgstr "核磁共振谱设置(&N)" #~ msgid "No data" #~ msgstr "没有数据" #~ msgid "Dark" #~ msgstr "灰暗" #~ msgid "Publication" #~ msgstr "发布" #~ msgid "Handdrawn" #~ msgstr "手绘" #~ msgid "New Scheme" #~ msgstr "新原理图" #~ msgid "Confirm Scheme Removal" #~ msgstr "确认移除原理图" #~ msgid "Really remove current scheme?" #~ msgstr "真的要移除当前原理图吗?" #~ msgid "Change Scheme Name" #~ msgstr "改变原理图名称" #~ msgid "Enter new name for current scheme:" #~ msgstr "为当前原理图输入新名字:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "制表符分隔数值格式 (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab分隔数值" #~ msgid "Comma Separated Values" #~ msgstr "逗号分隔数值" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "未知扩展名: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR 数据 (*.out)" #~ msgid "Data Format" #~ msgstr "数据格式" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "格式:" #~ msgid "Load Spectral Data" #~ msgstr "载入光谱数据" #~ msgid "Portable Network Graphics" #~ msgstr "便携式网络图形(PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "标签图像文件格式(TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Windows 位图" #~ msgid "Portable Pixmap" #~ msgstr "可移动点阵图" #~ msgid "X11 Bitmap" #~ msgstr "X11 位图" #~ msgid "X11 Pixmap" #~ msgstr "X11 点阵图" #~ msgid "Save Spectra Image" #~ msgstr "保存光谱图像" #~ msgid "&Spectra..." #~ msgstr "光谱(&S)..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "由量子化学计算结果将光谱数据可视化" #~ msgid "No vibrational displacements exist." #~ msgstr "没有振动位移存在。" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "从量子化学计算中显示振动模式。" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "按照频率对 %1 的振动进行分类..." #~ msgid "Super Cell Builder..." #~ msgstr "超晶胞构建器..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "该文档目前是一个单独的分子。你需要创建一个单位晶胞。" #~ msgid "Build and display crystallographic super cells" #~ msgstr "构建并显示晶体学中的超晶胞" #~ msgid "Orbitals" #~ msgstr "轨道" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "无" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "电子密度" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "错误 - 未定义的类型" #~ msgid "Calculating VdW Cube" #~ msgstr "计算VdW立方体" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "计算分子轨道%L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL小工具未能正确启动以制作视频" #~ msgid "GL widget has no molecule" #~ msgstr "GL小工具未包含任何分子" #~ msgid "Building video " #~ msgstr "建构视频 " #~ msgid "Could not run mencoder." #~ msgstr "无法运行mencoder。" #~ msgid "Set Aspect Ratio" #~ msgstr "设置长宽比" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "当前Avogadro场景有 %1x%2 像素大小，因此长宽比为 %3。\n" #~ "您可以保留这个数值，例如当您想使用POV-Ray的时候。\n" #~ "要生成 %4x1000 像素的图像，或者您可以输入任何正值，\n" #~ "例如您想用POV-Ray生成正方形的像 1000x1000 像素的图像." #~ msgid "Connect" #~ msgstr "连接" #~ msgid "Disconnect" #~ msgstr "断开" #~ msgid "&WiiTrack" #~ msgstr "&Wii跟踪" #~ msgid "Wii Tracking" #~ msgstr "Wii跟踪" #~ msgid "Track motion using Wii remotes" #~ msgstr "使用Wii遥控器跟踪运动" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "不正确的OpenGL内容.\n" #~ "也许您的OpenGL安装被完全破坏 (您是否在运行某些OpenGL程序? ), 或者您遇到了" #~ "一个Bug." #~ msgid "Debug Information" #~ msgstr "调试信息" #~ msgid "FPS: %L1" #~ msgstr "帧速率: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "显示尺寸: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "原子: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "文件类型 '%1' 不支持读取操作。" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "文件 '%1' 的文件类型不支持读取操作。" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "读取含有索引 %1 的分子信息的文件 '%2' 失败。" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "文件类型 '%1' 不支持写入操作。" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "文件 '%1' 的文件类型不支持写入操作。" #~ msgid "Could not open file '%1' for reading." #~ msgstr "无法打开文件 '%1' 并读取。" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "用索引 %1替换文件 '%2' 中的分子失败。" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "文件 %1 无法被打开并读取。" #~ msgid "File %1 can not be opened for writing." #~ msgstr "文件 %1 无法被打开并写入。" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "保存分子文件失败 - 无法重命名原始文件。" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "保存分子文件失败 - 无法重命名新文件。" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "保存分子文件失败 - 无法删除旧文件。" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "将分子写入到文件 '%1' 失败。 OpenBabel功能失效。" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "文件 %1 无法被打开并写入。" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "将构象异构体写入到文件 '%1' 失败" #~ msgid "Molecule %1" #~ msgstr "分子 %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "未知Python引擎" #~ msgid "PythonEngine: checking " #~ msgstr "Python引擎: 检查中 " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - 脚本没有定义“引擎”种类" #~ msgid " - no module" #~ msgstr " - 没有模块" #~ msgid "Unknown Python Extension" #~ msgstr "未知Python扩展" #~ msgid "PythonExtension: checking " #~ msgstr "Python扩展: 检查中 " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - 脚本没有定义“扩展”类型" #~ msgid "Unknown Python Tool" #~ msgstr "未知Python工具" #~ msgid "PythonTool: checking " #~ msgstr "Python工具: 检查中 " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - 脚本没有定义“工具”类型" #~ msgid "Tools" #~ msgstr "工具" #~ msgid "Align:" #~ msgstr "对齐：" #~ msgid "Everything" #~ msgstr "所有内容" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "自动优化: 不能建立力场...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "自动优化: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "每次更新步骤数:" #~ msgid "Algorithm:" #~ msgstr "算法：" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "分子动力学 (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "分子动力学 (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "设置固定的原子为可移动的" #~ msgid "Ignored atoms are movable" #~ msgstr "设置已忽略的原子为可移动的" #~ msgid "AutoOpt Molecule" #~ msgstr "自动优化分子" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "自动优化分子几何构型" #~ msgid "AutoOptimization Settings" #~ msgstr "自动优化设置" #~ msgid "Auto Rotation Tool" #~ msgstr "自动旋转工具" #~ msgid "x rotation:" #~ msgstr "x轴旋转" #~ msgid "x rotation" #~ msgstr "x轴旋转" #~ msgid "y rotation:" #~ msgstr "y轴旋转" #~ msgid "y rotation" #~ msgstr "y轴旋转" #~ msgid "z rotation:" #~ msgstr "z轴旋转" #~ msgid "z rotation" #~ msgstr "z轴旋转" #~ msgid "Automatic rotation of molecules" #~ msgstr "自动旋转分子" #~ msgid "AutoRotate Settings" #~ msgstr "自动旋转设置" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "键长: %L1" #~ msgid " Show Angles" #~ msgstr " 显示键角" #~ msgid "Bond Centric Manipulate" #~ msgstr "化学键操纵" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "操纵键长，键角和扭转" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "化学键操纵设置" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "距离(2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "距离(3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "二面角: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "距离(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "测量键长，键角和二面角" #~ msgid "Draw Bond" #~ msgstr "绘制化学键" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "绘制并编辑原子和键" #~ msgid "Draw Settings" #~ msgstr "绘制设置" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "平移，旋转并调整原子和片段" #~ msgid "Manipulate Settings" #~ msgstr "操纵设置" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "平移，旋转并在当前视图内缩放" #~ msgid "Navigate Settings" #~ msgstr "导航设置" #~ msgid "Selection Mode:" #~ msgstr "选择模式:" #~ msgid "Atom/Bond" #~ msgstr "原子/键" #~ msgid "Residue" #~ msgstr "残基" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "选择原子，残基和分子" #~ msgid "Symbol" #~ msgstr "符号" #~ msgid "Bond Length" #~ msgstr "键长" #~ msgid "Dihedral Angle" #~ msgstr "二面角" #~ msgid "Z Matrix Editor..." #~ msgstr "Z矩阵编辑器..." #~ msgid "Z-Matrix" #~ msgstr "Z-矩阵" #~ msgid "Create/edit a z-matrix" #~ msgstr "创建/编辑一个Z矩阵" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-矩阵设置" #~ msgid "Color residues by:" #~ msgstr "给残基着色按：" #~ msgid "Hydrophobicity" #~ msgstr "疏水性" #~ msgid "Atom Radius:" #~ msgstr "原子半径:" #~ msgid "Bond Radius:" #~ msgstr "键半径:" #~ msgid "Shape" #~ msgstr "图形" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "环" #~ msgid "Dipole:" #~ msgstr "偶极:" #~ msgid "Cut-off radius:" #~ msgstr "截断半径：" #~ msgid "Cut-off angle:" #~ msgstr "截断角度:" #~ msgid "Residue number" #~ msgstr "残基序数" #~ msgid "Bond length" #~ msgstr "键长" #~ msgid "Bond number" #~ msgstr "键序数:" #~ msgid "Bond order" #~ msgstr "键级" #~ msgid "Radius:" #~ msgstr "半径：" #~ msgid "Include Nitrogens" #~ msgstr "包含氮" #~ msgid "VdW Opacity:" #~ msgstr "VdW 不透明度:" #~ msgid "Orbital:" #~ msgstr "轨道:" #~ msgid "Render:" #~ msgstr "渲染:" #~ msgid "Fill" #~ msgstr "填充" #~ msgid "Points" #~ msgstr "点" #~ msgid "Draw Box:" #~ msgstr "绘制盒：" #~ msgid "Mapped Colors" #~ msgstr "映射的颜色" #~ msgid "Positive" #~ msgstr "正" #~ msgid "Negative" #~ msgstr "负" #~ msgid "Show Atoms" #~ msgstr "显示原子" #~ msgid "Animate Trajectory" #~ msgstr "动画轨迹" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Save as .avi..." #~ msgstr "保存为.avi文件..." #~ msgid "Number of atoms:" #~ msgstr "原子数量" #~ msgid "Number of rotatable bonds:" #~ msgstr "可旋转键数量" #~ msgid "Ignore Atom" #~ msgstr "忽略原子" #~ msgid "Fix Atom" #~ msgstr "修正原子" #~ msgid "Fix Atom X" #~ msgstr "修正原子X" #~ msgid "Fix Atom Y" #~ msgstr "修正原子Y" #~ msgid "Fix Atom Z" #~ msgstr "修正原子Z" #~ msgid "Torsion angle" #~ msgstr "扭转角" #~ msgid "Save" #~ msgstr "保存" #~ msgid "Load" #~ msgstr "载入" #~ msgid "Cartesian" #~ msgstr "笛卡尔" #~ msgid "All" #~ msgstr "全部" #~ msgid "File Import..." #~ msgstr "导入文件..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "尝试检测化学键？" #~ msgid "Setup Force Field" #~ msgstr "建立力场" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "步骤数" #~ msgid "Algorithm" #~ msgstr "算法" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha螺旋" #~ msgid "Beta Sheet" #~ msgstr "Beta片层" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "残基的数量:" #~ msgid "Dipole Moment (D):" #~ msgstr "偶极矩 (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "高级" #~ msgid "Control" #~ msgstr "控制" #~ msgid "Grid" #~ msgstr "网格" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray导出" #~ msgid "Select..." #~ msgstr "选择..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "使用全场景抗锯齿" #~ msgid "Antialias" #~ msgstr "抗锯齿" #~ msgid "Set the background color to be transparent" #~ msgstr "设置背景色为透明" #~ msgid "Alpha transparency" #~ msgstr "Alpha透明" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "使用命令行POV-Ray直接渲染分子" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "渲染完成后保留POV-Ray源文件" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "渲染后保留POV-Ray源文件" #~ msgid "Path:" #~ msgstr "路径:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "计算..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "Property:" #~ msgstr "属性：" #~ msgid "EFP Matches" #~ msgstr "EFP匹配" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "高级设置" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "起始点" #~ msgid "System" #~ msgstr "系统" #~ msgid "MO Guess" #~ msgstr "分子轨道猜测" #~ msgid "Misc" #~ msgstr "其它" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D 重原子极化函数:" #~ msgid "Read" #~ msgstr "读取" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "散射重原子的S壳层" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "散射重原子的L壳层" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "双Zeta化合价" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "三Zeta化合价" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA化合价" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt 化合价" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP 类型:" #~ msgid "Default" #~ msgstr "默认" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F 重原子极化函数:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#氢原子极化函数:" #~ msgid "Polar:" #~ msgstr "极化:" #~ msgid "Max SCF Iterations:" #~ msgstr "最大 SCF 迭代:" #~ msgid "Gradient" #~ msgstr "渐变" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "马鞍点" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "渐变极值" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "放射性过渡力矩" #~ msgid "Spin Orbit" #~ msgstr "自旋轨道" #~ msgid "Finite Electric Field" #~ msgstr "有限电场" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "全局优化" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO 优化" #~ msgid "Raman Intensities" #~ msgstr "Raman强度" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "无 (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF 类型:" #~ msgid "Localization Method:" #~ msgstr "本地化方式:" #~ msgid "Exec Type:" #~ msgstr "执行类型:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "被限制占据的多重活动空间" #~ msgid "CI Singles" #~ msgstr "CI 单体" #~ msgid "Full Second Order CI" #~ msgstr "完全二级 CI" #~ msgid "General CI" #~ msgstr "通用 CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: 线性化CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: 含有Doubles的CC" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: 含有Singles和Doubles的CC" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "正常运行" #~ msgid "Check" #~ msgstr "检查" #~ msgid "Debug" #~ msgstr "调试" #~ msgid "Run Type:" #~ msgstr "运行模式:" #~ msgid "Use MP2" #~ msgstr "使用 MP2" #~ msgid "Use DFT" #~ msgstr "使用 DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# 个Z-矩阵变量" #~ msgid "Ǻngstrom" #~ msgstr "埃" #~ msgid "Order of Principal Axis:" #~ msgstr "主轴级数:" #~ msgid "Coordinate Type:" #~ msgstr "坐标类型:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "独立笛卡尔坐标." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "Use Symmetry During Calculation" #~ msgstr "计算中使用对称性" #~ msgid "Point Group:" #~ msgstr "点群:" #~ msgid "Minutes" #~ msgstr "分" #~ msgid "Hours" #~ msgstr "时" #~ msgid "Days" #~ msgstr "日" #~ msgid "Weeks" #~ msgstr "周" #~ msgid "Millenia" #~ msgstr "千年" #~ msgid "MegaWords" #~ msgstr "百万词" #~ msgid "MegaBytes" #~ msgstr "兆字节" #~ msgid "Force Parallel Methods" #~ msgstr "力平行方式" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "当取消时创建\"核心\"文件" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "内存：" #~ msgid "Diagonalization Method:" #~ msgstr "可对角化方式:" #~ msgid "Parallel Load Balance Type" #~ msgstr "平行载入平衡类型" #~ msgid "Use External Data Representation for Messages" #~ msgstr "使用外部数据来表示信息" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "H核" #~ msgid "MO Read ($VEC)" #~ msgstr "MO 读取 ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO 已保存 (DICTNRY)" #~ msgid "Skip" #~ msgstr "跳过" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "旋转Alpha和Beta轨道" #~ msgid "Print the Initial Guess" #~ msgstr "打印初始猜测" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS界面到其它编码" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "强制检查运行类型" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK版)" #~ msgid "Solvate with Water" #~ msgstr "使用水进行溶剂化" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF 自然轨道" #~ msgid "Direct SCF" #~ msgstr "直接 SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "在Fock矩阵中仅计算改变项" #~ msgid "Slater exchange" #~ msgstr "Slater交换" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 交换" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) 相关" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr 相关" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater交换 + VWN相关" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE 交换 + VWN5 相关" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE 交换 + LYP 相关" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 交换" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) 交换" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive 相关" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) 相关" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP 相关" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE 交换 + OP 相关" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL 交换 + VWN5 相关" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL 交换 + LYP 相关" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE 交换 + VWN6 相关" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE 交换 +LYP 相关" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE 交换 + OP 相关" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE 交换 + LYP 相关" #~ msgid "Grid-Free" #~ msgstr "无网格" #~ msgid "Duplicated on Each Node" #~ msgstr "在每个节点上复制" #~ msgid "Distributed Across All Nodes" #~ msgstr "穿过所有节点进行分布" #~ msgid "words" #~ msgstr "词" #~ msgid "Compute MP2 Properties" #~ msgstr "计算MP2属性" #~ msgid "Integral Retention Cutoff:" #~ msgstr "整合阻拦切断" #~ msgid "Use Localized Orbitals" #~ msgstr "使用定域轨道" #~ msgid "# of Core Electrons:" #~ msgstr "# 个核心电子:" #~ msgid "Transformation Method" #~ msgstr "变形方式" #~ msgid "Two Phase Bin Sort" #~ msgstr "两相贮存分类" #~ msgid "Segmented Transformation" #~ msgstr "片段化变形" #~ msgid "Numeric" #~ msgstr "数值" #~ msgid "Double Differenced Hessian" #~ msgstr "双微分Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "打印内部力常数" #~ msgid "Displacement Size:" #~ msgstr "置换尺寸" #~ msgid "Purify Hessian" #~ msgstr "纯Hessian" #~ msgid "bohrs" #~ msgstr "玻尔" #~ msgid "Initial Hessian" #~ msgstr "初始Hessian" #~ msgid "Guess (+ define)" #~ msgstr "猜测 (+ 定义)" #~ msgid "Read (from $HESS)" #~ msgstr "读取 (从 $HESS)" #~ msgid "Update Step Size" #~ msgstr "更新步长" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "每次迭代后打印轨道" #~ msgid "Stationary Point" #~ msgstr "不动点" #~ msgid "Initial:" #~ msgstr "初始" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "有理函数优化" #~ msgid "Quadratic Approximation" #~ msgstr "二次近似" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (类-NR)" #~ msgid "Constrained Optimization" #~ msgstr "限制性优化" #~ msgid "Recalculate Hessian Every:" #~ msgstr "重新计算Hessian在每:" #~ msgid "Follow Mode:" #~ msgstr "跟随模式:" #~ msgid "Basis:" #~ msgstr "基准:" #~ msgid "Z-matrix" #~ msgstr "Z-矩阵" #~ msgid "Gaussian Input" #~ msgstr "Gaussian输入" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "标准" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "检查点:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-矩阵 (致密的)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO输入" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "四重" #~ msgid "Quintet" #~ msgstr "五重" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem导入" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "载入着色器" #~ msgid "Shader Name:" #~ msgstr "着色器名称:" #~ msgid "Vertex Shader:" #~ msgstr "顶点着色器:" #~ msgid "Fragment Shader:" #~ msgstr "片段着色器:" #~ msgid "Assign Shader" #~ msgstr "指定着色器" #~ msgid "Display Type:" #~ msgstr "显示模式：" #~ msgid "Font:" #~ msgstr "字体:" #~ msgid "Change Font..." #~ msgstr "更换字体..." #~ msgid "New..." #~ msgstr "新建..." #~ msgid "Rename..." #~ msgstr "改名..." #~ msgid "&Schemes:" #~ msgstr "原理图(&S):" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "宽度(&W):" #~ msgid "&Height" #~ msgstr "高度(&H)" #~ msgid "cm" #~ msgstr "厘米" #~ msgid "mm" #~ msgstr "毫米" #~ msgid "in" #~ msgstr "英寸" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "使用优化的字体大小而非原理图定义的值(屏幕与图像点大小将不能很好地转换!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "自动调整字体大小(&O)" #~ msgid "&Gaussian Width:" #~ msgstr "高斯宽度(&G):" #~ msgid "&Label peaks" #~ msgstr "标记谱峰(&L)" #~ msgid "&Y Axis Units:" #~ msgstr "&Y轴单位:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "高斯宽度(&W):" #~ msgid "Reset &Plot Axes" #~ msgstr "重设坐标轴(&P)" #~ msgid "Label Peaks:" #~ msgstr "标记谱峰:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "分子振动" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "高振动频率会显示更快的运动" #~ msgid "Animation speed set by frequency" #~ msgstr "动画速度为频率所设置" #~ msgid "Display force &vectors" #~ msgstr "显示力矢量(&V)" #~ msgid "Surface Type:" #~ msgstr "表面类型:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "低" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "中" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "高" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "非常高" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "在显示模式:" #~ msgid "New Display" #~ msgstr "新建显示" #~ msgid "Advanced..." #~ msgstr "高级..." #~ msgid "Python Settings" #~ msgstr "Python设置" #~ msgid "Z Matrix Editor" #~ msgstr "Z矩阵编辑器" OpenChemistry-avogadrolibs-ceb949f/i18n/zh_TW.po000066400000000000000000012136031516317240700216520ustar00rootroot00000000000000# Traditional Chinese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # crlambda , 2021. # LibreTranslate , 2024. # Ricky From Hong Kong , 2024. # Eisuke Kawashima , 2024, 2025, 2026. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2026-03-22 03:46+0000\n" "PO-Revision-Date: 2026-03-11 10:10+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Chinese (Traditional Han script) \n" "Language: zh_TW\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.17-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:71 qtgui/interfacescript.cpp:90 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:203 qtgui/interfacescript.cpp:246 #: qtgui/interfacescript.cpp:398 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:206 qtgui/interfacescript.cpp:249 #: qtgui/interfacescript.cpp:401 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:226 qtgui/interfacescript.cpp:421 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:228 qtgui/interfacescript.cpp:423 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:427 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:271 qtgui/interfacescript.cpp:460 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:277 qtgui/interfacescript.cpp:466 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:472 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:287 qtgui/interfacescript.cpp:476 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:298 qtgui/interfacescript.cpp:487 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:303 qtgui/interfacescript.cpp:492 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:314 qtgui/interfacescript.cpp:503 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:318 qtgui/interfacescript.cpp:507 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:361 qtgui/interfacescript.cpp:551 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:385 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:393 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:406 qtgui/interfacescript.cpp:618 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:415 qtgui/interfacescript.cpp:627 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:47 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:49 #: qtplugins/quantuminput/quantuminput.cpp:279 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1匯入產生器" #: molequeue/inputgeneratorwidget.cpp:123 msgid "Continue" msgstr "繼續" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:380 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:961 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:123 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "關閉" #: molequeue/inputgeneratorwidget.cpp:171 qtgui/elementtranslator.cpp:372 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 #: qtplugins/spacegroup/spacegroup.cpp:630 msgid "Unknown" msgstr "未知" #: molequeue/inputgeneratorwidget.cpp:172 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:178 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:204 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:293 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:301 #: molequeue/inputgeneratorwidget.cpp:609 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:980 #: qtplugins/gamessinput/gamessinputdialog.cpp:917 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:302 #: molequeue/inputgeneratorwidget.cpp:610 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:981 #: qtplugins/gamessinput/gamessinputdialog.cpp:918 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:333 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:349 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1017 #: qtplugins/gamessinput/gamessinputdialog.cpp:954 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:350 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1018 #: qtplugins/gamessinput/gamessinputdialog.cpp:955 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:367 qtgui/interfacewidget.cpp:62 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:384 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:390 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:407 qtgui/interfacewidget.cpp:78 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:458 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:470 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:486 #: molequeue/inputgeneratorwidget.cpp:597 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:970 #: qtplugins/gamessinput/gamessinputdialog.cpp:907 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:487 #: molequeue/inputgeneratorwidget.cpp:598 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:971 #: qtplugins/gamessinput/gamessinputdialog.cpp:908 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:498 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:521 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:531 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:536 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:549 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:553 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:562 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:573 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:577 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:624 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:87 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:106 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:119 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:129 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:130 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:197 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:198 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:27 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:31 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:17 qtplugins/noncovalent/noncovalent.cpp:409 msgid "Hydrogen" msgstr "Hydrogen (氫)" #: qtgui/elementtranslator.cpp:20 msgid "Helium" msgstr "Helium (氦)" #: qtgui/elementtranslator.cpp:23 msgid "Lithium" msgstr "Lithium (鋰)" #: qtgui/elementtranslator.cpp:26 msgid "Beryllium" msgstr "Beryllium (鈹)" #: qtgui/elementtranslator.cpp:29 msgid "Boron" msgstr "Boron (硼)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:32:2109 msgid "Carbon" msgstr "Carbon (碳)" #: qtgui/elementtranslator.cpp:35 msgid "Nitrogen" msgstr "Nitrogen (氮)" #: qtgui/elementtranslator.cpp:38 msgid "Oxygen" msgstr "Oxygen (氧)" #: qtgui/elementtranslator.cpp:41 msgid "Fluorine" msgstr "Fluorine (氟)" #: qtgui/elementtranslator.cpp:44 msgid "Neon" msgstr "Neon (氖)" #: qtgui/elementtranslator.cpp:47 msgid "Sodium" msgstr "Sodium (鈉)" #: qtgui/elementtranslator.cpp:50 msgid "Magnesium" msgstr "Magnesium (鎂)" #: qtgui/elementtranslator.cpp:53 msgid "Aluminum" msgstr "Aluminum (鋁)" #: qtgui/elementtranslator.cpp:56 msgid "Silicon" msgstr "Silicon (矽)" #: qtgui/elementtranslator.cpp:59 msgid "Phosphorus" msgstr "Phosphorus (磷)" #: qtgui/elementtranslator.cpp:62 msgid "Sulfur" msgstr "Sulfur (硫)" #: qtgui/elementtranslator.cpp:65 msgid "Chlorine" msgstr "Chlorine (氯)" #: qtgui/elementtranslator.cpp:68 msgid "Argon" msgstr "Argon (氬)" #: qtgui/elementtranslator.cpp:71 msgid "Potassium" msgstr "Potassium (鉀)" #: qtgui/elementtranslator.cpp:74 msgid "Calcium" msgstr "Calcium (鈣)" #: qtgui/elementtranslator.cpp:77 msgid "Scandium" msgstr "Scandium (鈧)" #: qtgui/elementtranslator.cpp:80 msgid "Titanium" msgstr "Titanium (鈦)" #: qtgui/elementtranslator.cpp:83 msgid "Vanadium" msgstr "Vanadium (釩)" #: qtgui/elementtranslator.cpp:86 msgid "Chromium" msgstr "Chromium (鉻)" #: qtgui/elementtranslator.cpp:89 msgid "Manganese" msgstr "Manganese (錳)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:92:2112 msgid "Iron" msgstr "Iron (鐵)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:95:2115 msgid "Cobalt" msgstr "Cobalt (鈷)" #: qtgui/elementtranslator.cpp:98 msgid "Nickel" msgstr "Nickel (鎳)" #: qtgui/elementtranslator.cpp:101 msgid "Copper" msgstr "Copper (銅)" #: qtgui/elementtranslator.cpp:104 msgid "Zinc" msgstr "Zinc (鋅)" #: qtgui/elementtranslator.cpp:107 msgid "Gallium" msgstr "Gallium (鎵)" #: qtgui/elementtranslator.cpp:110 msgid "Germanium" msgstr "Germanium (鍺)" #: qtgui/elementtranslator.cpp:113 msgid "Arsenic" msgstr "Arsenic (砷)" #: qtgui/elementtranslator.cpp:116 msgid "Selenium" msgstr "Selenium (硒)" #: qtgui/elementtranslator.cpp:119 msgid "Bromine" msgstr "Bromine (溴)" #: qtgui/elementtranslator.cpp:122 msgid "Krypton" msgstr "Krypton (氪)" #: qtgui/elementtranslator.cpp:125 msgid "Rubidium" msgstr "Rubidium (銣)" #: qtgui/elementtranslator.cpp:128 msgid "Strontium" msgstr "Strontium (鍶)" #: qtgui/elementtranslator.cpp:131 msgid "Yttrium" msgstr "Yttrium (釔)" #: qtgui/elementtranslator.cpp:134 msgid "Zirconium" msgstr "Zirconium (鋯)" #: qtgui/elementtranslator.cpp:137 msgid "Niobium" msgstr "Niobium (鈮)" #: qtgui/elementtranslator.cpp:140 msgid "Molybdenum" msgstr "Molybdenum (鉬)" #: qtgui/elementtranslator.cpp:143 msgid "Technetium" msgstr "Technetium (鎝)" #: qtgui/elementtranslator.cpp:146 msgid "Ruthenium" msgstr "Ruthenium (釕)" #: qtgui/elementtranslator.cpp:149 msgid "Rhodium" msgstr "Rhodium (銠)" #: qtgui/elementtranslator.cpp:152 msgid "Palladium" msgstr "Palladium (鈀)" #: qtgui/elementtranslator.cpp:155 msgid "Silver" msgstr "Silver (銀)" #: qtgui/elementtranslator.cpp:158 msgid "Cadmium" msgstr "Cadmium (鎘)" #: qtgui/elementtranslator.cpp:161 msgid "Indium" msgstr "Indium (銦)" #: qtgui/elementtranslator.cpp:164 msgid "Tin" msgstr "Tin (錫)" #: qtgui/elementtranslator.cpp:167 msgid "Antimony" msgstr "(銻)" #: qtgui/elementtranslator.cpp:170 msgid "Tellurium" msgstr "Tellurium (碲)" #: qtgui/elementtranslator.cpp:173 msgid "Iodine" msgstr "Iodine (碘)" #: qtgui/elementtranslator.cpp:176 msgid "Xenon" msgstr "Xenon (氙)" #: qtgui/elementtranslator.cpp:179 msgid "Cesium" msgstr "Cesium 銫" #: qtgui/elementtranslator.cpp:182 msgid "Barium" msgstr "Barium (鋇)" #: qtgui/elementtranslator.cpp:185 msgid "Lanthanum" msgstr "Lantanum (鑭)" #: qtgui/elementtranslator.cpp:188 msgid "Cerium" msgstr "Cerium (鈰)" #: qtgui/elementtranslator.cpp:191 msgid "Praseodymium" msgstr "Praseodymium (鐠)" #: qtgui/elementtranslator.cpp:194 msgid "Neodymium" msgstr "Neodymium (釹)" #: qtgui/elementtranslator.cpp:197 msgid "Promethium" msgstr "Promethium (鉕)" #: qtgui/elementtranslator.cpp:200 msgid "Samarium" msgstr "Samarium (釤)" #: qtgui/elementtranslator.cpp:203 msgid "Europium" msgstr "Europium (銪)" #: qtgui/elementtranslator.cpp:206 msgid "Gadolinium" msgstr "Gadolinium (釓)" #: qtgui/elementtranslator.cpp:209 msgid "Terbium" msgstr "Terbium (鋱)" #: qtgui/elementtranslator.cpp:212 msgid "Dysprosium" msgstr "Dysprosium (鏑)" #: qtgui/elementtranslator.cpp:215 msgid "Holmium" msgstr "Holmium (鈥)" #: qtgui/elementtranslator.cpp:218 msgid "Erbium" msgstr "Erbium (鉺)" #: qtgui/elementtranslator.cpp:221 msgid "Thulium" msgstr "Thulium (銩)" #: qtgui/elementtranslator.cpp:224 msgid "Ytterbium" msgstr "Ytterbium (鐿)" #: qtgui/elementtranslator.cpp:227 msgid "Lutetium" msgstr "Lutetium (鎦)" #: qtgui/elementtranslator.cpp:230 msgid "Hafnium" msgstr "Hafnium (鉿)" #: qtgui/elementtranslator.cpp:233 msgid "Tantalum" msgstr "Tantalum (鉭)" #: qtgui/elementtranslator.cpp:236 msgid "Tungsten" msgstr "Tungsten (鎢)" #: qtgui/elementtranslator.cpp:239 msgid "Rhenium" msgstr "Rhenium (錸)" #: qtgui/elementtranslator.cpp:242 msgid "Osmium" msgstr "Osmium (鋨)" #: qtgui/elementtranslator.cpp:245 msgid "Iridium" msgstr "Iridium (銥)" #: qtgui/elementtranslator.cpp:248 msgid "Platinum" msgstr "Platinum (鉑)" #: qtgui/elementtranslator.cpp:251 msgid "Gold" msgstr "Gold (金)" #: qtgui/elementtranslator.cpp:254 msgid "Mercury" msgstr "Mercury (汞)" #: qtgui/elementtranslator.cpp:257 msgid "Thallium" msgstr "Thallium (鉈)" #: qtgui/elementtranslator.cpp:260 msgid "Lead" msgstr "Lead (鉛)" #: qtgui/elementtranslator.cpp:263 msgid "Bismuth" msgstr "Bismuth (鉍)" #: qtgui/elementtranslator.cpp:266 msgid "Polonium" msgstr "Polonium (釙)" #: qtgui/elementtranslator.cpp:269 msgid "Astatine" msgstr "Astatine (砈)" #: qtgui/elementtranslator.cpp:272 msgid "Radon" msgstr "Radon (氡)" #: qtgui/elementtranslator.cpp:275 msgid "Francium" msgstr "Francium (鍅)" #: qtgui/elementtranslator.cpp:278 msgid "Radium" msgstr "Radium (鐳)" #: qtgui/elementtranslator.cpp:281 msgid "Actinium" msgstr "Actinium (錒)" #: qtgui/elementtranslator.cpp:284 msgid "Thorium" msgstr "Thorium (釷)" #: qtgui/elementtranslator.cpp:287 msgid "Protactinium" msgstr "Protactinium (鏷)" #: qtgui/elementtranslator.cpp:290 msgid "Uranium" msgstr "Uranium (鈾)" #: qtgui/elementtranslator.cpp:293 msgid "Neptunium" msgstr "Neptunium (錼)" #: qtgui/elementtranslator.cpp:296 msgid "Plutonium" msgstr "Plutonium (鈽)" #: qtgui/elementtranslator.cpp:299 msgid "Americium" msgstr "Americium (鋂)" #: qtgui/elementtranslator.cpp:302 msgid "Curium" msgstr "Curium (鋦)" #: qtgui/elementtranslator.cpp:305 msgid "Berkelium" msgstr "Berkelium (鉳)" #: qtgui/elementtranslator.cpp:308 msgid "Californium" msgstr "Californium (鉲)" #: qtgui/elementtranslator.cpp:311 msgid "Einsteinium" msgstr "Eisteinium (鑀)" #: qtgui/elementtranslator.cpp:314 msgid "Fermium" msgstr "Fermium (鐨)" #: qtgui/elementtranslator.cpp:317 msgid "Mendelevium" msgstr "Mendelevium (鍆)" #: qtgui/elementtranslator.cpp:320 msgid "Nobelium" msgstr "Nobelium (鍩)" #: qtgui/elementtranslator.cpp:323 msgid "Lawrencium" msgstr "Lawrencium (鐒)" #: qtgui/elementtranslator.cpp:326 msgid "Rutherfordium" msgstr "Rutherfordium (鑪)" #: qtgui/elementtranslator.cpp:329 msgid "Dubnium" msgstr "Dubnium (𨧀)" #: qtgui/elementtranslator.cpp:332 msgid "Seaborgium" msgstr "Seaborgium (金希)" #: qtgui/elementtranslator.cpp:335 msgid "Bohrium" msgstr "bohrium (𨨏)" #: qtgui/elementtranslator.cpp:338 msgid "Hassium" msgstr "Hassium (𨭆)" #: qtgui/elementtranslator.cpp:341 msgid "Meitnerium" msgstr "Meitnerium (䥑)" #: qtgui/elementtranslator.cpp:344 msgid "Darmstadtium" msgstr "Darmstadtium (鐽)" #: qtgui/elementtranslator.cpp:347 msgid "Roentgenium" msgstr "Roentgenium (錀)" #: qtgui/elementtranslator.cpp:350 msgid "Copernicium" msgstr "Copernicium (鎶)" #: qtgui/elementtranslator.cpp:353 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:356 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:359 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:362 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:365 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:368 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:24 #, fuzzy msgid "Browse" msgstr "瀏覽" #: qtgui/filebrowsewidget.cpp:97 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:100 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "所以的檔案" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:263 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:336 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:343 #, qt-format msgid "%1 Warning" msgstr "" #: qtgui/interfacescript.cpp:350 #, qt-format msgid "%1 Error" msgstr "" #: qtgui/interfacescript.cpp:593 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:601 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:101 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:108 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:115 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:193:895 msgid "Title" msgstr "標題" #: qtgui/jsonwidget.cpp:197 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:209 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:204 qtgui/jsonwidget.cpp:212 msgid "Memory" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:221 msgid "Theory" msgstr "理論" #: qtgui/jsonwidget.cpp:221 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:226 qtgui/jsonwidget.cpp:230 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:227 qtgui/jsonwidget.cpp:232 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:239 msgid "Solvent" msgstr "" #: qtgui/jsonwidget.cpp:240 msgctxt "solvation method / model" msgid "Model" msgstr "" #: qtgui/jsonwidget.cpp:386 msgid "User Name" msgstr "" #: qtgui/jsonwidget.cpp:388 msgid "Password" msgstr "" #: qtgui/jsonwidget.cpp:674 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:683 qtgui/jsonwidget.cpp:718 qtgui/jsonwidget.cpp:739 #: qtgui/jsonwidget.cpp:760 qtgui/jsonwidget.cpp:798 qtgui/jsonwidget.cpp:819 #: qtgui/jsonwidget.cpp:841 qtgui/jsonwidget.cpp:862 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:690 qtgui/jsonwidget.cpp:725 qtgui/jsonwidget.cpp:746 #: qtgui/jsonwidget.cpp:767 qtgui/jsonwidget.cpp:805 qtgui/jsonwidget.cpp:826 #: qtgui/jsonwidget.cpp:848 qtgui/jsonwidget.cpp:869 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:704 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:930 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:975 qtplugins/cp2kinput/cp2kinputdialog.cpp:451 #: qtplugins/gamessinput/gamessinputdialog.cpp:524 #, fuzzy msgid "[no molecule]" msgstr "[沒有設定分子]" #: qtgui/layermodel.cpp:118 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:170 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "球與棒 (原子與鍵)" #: qtgui/layermodel.cpp:172 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "卡通" #: qtgui/layermodel.cpp:174 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:176 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:178 qtplugins/force/force.h:28 msgid "Force" msgstr "力" #: qtgui/layermodel.cpp:180 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "標記" #: qtgui/layermodel.cpp:182 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:184 qtplugins/surfacerender/surfacerender.h:29 #: qtplugins/surfaces/orbitals.cpp:480 qtplugins/surfaces/orbitals.cpp:572 #: qtplugins/surfaces/surfaces.cpp:883 qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "表面/曲面" #: qtgui/layermodel.cpp:186 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:188 #, fuzzy msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:190 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:192 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "凡得瓦" #: qtgui/layermodel.cpp:194 #, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" msgstr "凡得瓦" #: qtgui/layermodel.cpp:196 msgctxt "volumetric clouds" msgid "Volumes" msgstr "" #: qtgui/layermodel.cpp:198 qtplugins/surfacerender/surfacerender.cpp:271 #: qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "網架" #: qtgui/layermodel.cpp:200 qtplugins/overlayaxes/overlayaxes.h:28 msgid "Reference Axes" msgstr "" #: qtgui/moleculemodel.cpp:120 msgid "Untitled" msgstr "未命名" #: qtgui/moleculemodel.cpp:135 msgid "Edit molecule" msgstr "" #: qtgui/moleculemodel.cpp:142 msgid "Not saved" msgstr "" #: qtgui/multiviewwidget.cpp:187 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "週期表" #: qtgui/pythonscript.cpp:132 msgid "Package mode requires pixi but it was not found." msgstr "" #: qtgui/pythonscript.cpp:230 qtgui/pythonscript.cpp:327 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:239 qtgui/pythonscript.cpp:336 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:253 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:263 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:273 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:393 #, qt-format msgid "" "Error writing raw request to script stdin (len=%1, wrote %2 bytes, QProcess " "error: %3)." msgstr "" #: qtgui/pythonscript.cpp:428 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:431 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:434 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:437 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:440 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:444 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:264:1789 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:43 qtgui/rwmolecule.cpp:52 msgid "Add Atom" msgstr "新增原子" #: qtgui/rwmolecule.cpp:74 qtgui/rwmolecule.cpp:89 #: qtplugins/editor/editor.cpp:142 msgid "Remove Atom" msgstr "移除原子" #: qtgui/rwmolecule.cpp:99 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:111 qtgui/rwmolecule.cpp:119:491 msgid "Adjust Hydrogens" msgstr "自動加上氫原子" #: qtgui/rwmolecule.cpp:147 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "變更元素" #: qtgui/rwmolecule.cpp:159 msgid "Change Element" msgstr "變更元素" #: qtgui/rwmolecule.cpp:240 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:252 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:274 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:286 msgid "Change Residue Color" msgstr "" #: qtgui/rwmolecule.cpp:298 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Add Bond" msgstr "新增鍵" #: qtgui/rwmolecule.cpp:340 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:347 #, fuzzy msgid "Clear Bonds" msgstr "刪除鍵" #: qtgui/rwmolecule.cpp:361 #, fuzzy msgid "Set Bond Orders" msgstr "鍵的級數" #: qtgui/rwmolecule.cpp:373 msgid "Change Bond Order" msgstr "改變鍵級" #: qtgui/rwmolecule.cpp:395 msgid "Update Bonds" msgstr "更新鍵" #: qtgui/rwmolecule.cpp:414 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:433 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:445 #, fuzzy msgid "Remove Unit Cell" msgstr "移除單位晶格" #: qtgui/rwmolecule.cpp:541 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:557 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:580 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:600 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:624 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:646 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:675 qtplugins/spacegroup/spacegroup.cpp:66 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:709 qtplugins/spacegroup/spacegroup.cpp:72 #: qtplugins/spacegroup/spacegroup.cpp:468 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:743 qtplugins/spacegroup/spacegroup.cpp:496 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:770 msgid "Fill Unit Cell" msgstr "填入單位晶胞" #: qtgui/rwmolecule.cpp:786 msgid "Fill Translational Copies" msgstr "" #: qtgui/rwmolecule.cpp:806 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:215 #, fuzzy msgid "Change Atom Positions" msgstr "改變原子位置" #: qtgui/rwmolecule.h:225 #, fuzzy msgid "Change Atom Position" msgstr "改變原子位置" #: qtgui/rwmolecule.h:243 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:261 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:267 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:101 msgid "Settings" msgstr "設定" #: qtgui/timedprogressdialog.cpp:75 msgid "Calculating…" msgstr "" #: qtgui/timedprogressdialog.cpp:79 msgid "Less than a second remaining" msgstr "" #: qtgui/timedprogressdialog.cpp:82 #, qt-plural-format msgctxt "" msgid "%n second(s) remaining" msgid_plural "%n second(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:85 #, qt-plural-format msgctxt "" msgid "%n minute(s) remaining" msgid_plural "%n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:93 #, qt-plural-format msgctxt "" msgid "1 hour %n minute(s) remaining" msgid_plural "1 hour %n minute(s) remaining" msgstr[0] "" #: qtgui/timedprogressdialog.cpp:96 #, qt-plural-format msgctxt "" msgid "%n hour(s) remaining" msgid_plural "%n hour(s) remaining" msgstr[0] "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&File" msgstr "檔案" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:44 #: qtplugins/povray/povray.cpp:44 qtplugins/svg/svg.cpp:46 #: qtplugins/vrml/vrml.cpp:44 msgid "&Export" msgstr "&匯出" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:62 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:32 #: qtplugins/customelements/customelements.cpp:40 #: qtplugins/hydrogens/hydrogens.cpp:57 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Build" msgstr "建立" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:485 rc.cpp:2103 msgid "Element:" msgstr "元素：" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 qtplugins/aligntool/aligntool.cpp:94 msgid "Align" msgstr "排列" #: qtplugins/aligntool/aligntool.cpp:53 msgid "" "Align Molecules\n" "\n" "Left Mouse:\tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse:\tReset alignment.\n" "Double-Click:\tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:81:1831 msgid "Axis:" msgstr "軸：" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:193 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:295 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:298 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "將分子排到直角座標的軸" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:46 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:80 #: qtplugins/quantuminput/quantuminput.cpp:322 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:75 #: qtplugins/quantuminput/quantuminput.cpp:136 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:115 #, fuzzy msgid "IO Error" msgstr "錯誤" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/apbs/apbsdialog.cpp:166 qtplugins/apbs/apbsdialog.cpp:189 #: qtplugins/commandscripts/command.cpp:152 #: qtplugins/cp2kinput/cp2kinput.cpp:85 qtplugins/fetchpdb/fetchpdb.cpp:143 #: qtplugins/gamessinput/gamessinput.cpp:91 #: qtplugins/insertfragment/insertfragment.cpp:111 #: qtplugins/lammpsinput/lammpsinput.cpp:62 #: qtplugins/molecularproperties/molecularview.cpp:150 #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/openbabel/openbabel.cpp:211 qtplugins/openbabel/openbabel.cpp:220 #: qtplugins/openbabel/openbabel.cpp:230 qtplugins/openbabel/openbabel.cpp:372 #: qtplugins/openbabel/openbabel.cpp:400 qtplugins/openbabel/openbabel.cpp:427 #: qtplugins/openbabel/openbabel.cpp:436 qtplugins/openbabel/openbabel.cpp:490 #: qtplugins/openbabel/openbabel.cpp:540 qtplugins/openbabel/openbabel.cpp:553 #: qtplugins/openbabel/openbabel.cpp:572 qtplugins/openbabel/openbabel.cpp:581 #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 #: qtplugins/openbabel/openbabel.cpp:704 qtplugins/openbabel/openbabel.cpp:739 #: qtplugins/openbabel/openbabel.cpp:753 qtplugins/openbabel/openbabel.cpp:782 #: qtplugins/openbabel/openbabel.cpp:794 qtplugins/openbabel/openbabel.cpp:840 #: qtplugins/openbabel/openbabel.cpp:890 qtplugins/openbabel/openbabel.cpp:932 #: qtplugins/openbabel/openbabel.cpp:964 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:439 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:653 #: qtplugins/plugindownloader/downloaderwidget.cpp:103 #: qtplugins/plugindownloader/downloaderwidget.cpp:109 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #: qtplugins/propertytables/propertyview.cpp:504 #: qtplugins/propertytables/propertyview.cpp:537 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:162 #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:450 #: qtplugins/qtaim/qtaimwavefunction.h:48 #: qtplugins/qtaim/qtaimwavefunction.h:81 #: qtplugins/quantuminput/quantuminput.cpp:152 #: qtplugins/spacegroup/spacegroup.cpp:675 msgid "Error" msgstr "錯誤" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:161 qtplugins/apbs/apbsdialog.cpp:178 #, fuzzy msgid "Success" msgstr "成功了" #: qtplugins/apbs/apbsdialog.cpp:162 #, qt-format msgid "Generated %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:166 msgid "Error running PDB2PQR" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:190 qtplugins/fetchpdb/fetchpdb.cpp:144 #: qtplugins/packageinstaller/packagemanagerdialog.cpp:440 #: qtplugins/playertool/playertool.cpp:424 #: qtplugins/plugindownloader/downloaderwidget.cpp:369 #: qtplugins/qtaim/qtaimwavefunction.h:49 qtplugins/surfaces/surfaces.cpp:1018 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/applycolors/applycolors.cpp:47 #: qtplugins/applycolors/applycolors.cpp:68 msgid "By Custom Color…" msgstr "自訂顏色…" #: qtplugins/applycolors/applycolors.cpp:52 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:57 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:62 #, fuzzy msgid "By Element" msgstr "元素" #: qtplugins/applycolors/applycolors.cpp:73 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:78 msgid "By Partial Charge…" msgstr "部份電荷…" #: qtplugins/applycolors/applycolors.cpp:83 #, fuzzy msgid "By Secondary Structure" msgstr "二級結構" #: qtplugins/applycolors/applycolors.cpp:88 #, fuzzy msgid "By Amino Acid" msgstr "胺基酸" #: qtplugins/applycolors/applycolors.cpp:93 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:803 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:805 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/surfaces/surfaces.cpp:807 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/surfaces/surfaces.cpp:809 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:312 #: qtplugins/surfaces/surfaces.cpp:811 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:813 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:313 #: qtplugins/surfaces/surfaces.cpp:815 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:817 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:124 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:314 #: qtplugins/surfaces/surfaces.cpp:819 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:821:183 rc.cpp:1979 #, fuzzy msgctxt "colormap" msgid "Spectral" msgstr "光譜" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 #: qtplugins/surfaces/surfaces.cpp:823:180 rc.cpp:1976 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/surfaces/surfaces.cpp:825:174 rc.cpp:1970 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:132 #: qtplugins/surfaces/surfaces.cpp:827:177 rc.cpp:1973 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:134 #: qtplugins/applycolors/applycolors.cpp:214 #: qtplugins/applycolors/applycolors.cpp:315 #: qtplugins/surfaces/surfaces.cpp:829:186 rc.cpp:1982 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:142 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:153 #: qtplugins/applycolors/applycolors.cpp:155 qtplugins/focus/focus.cpp:40 #: qtplugins/resetview/resetview.cpp:77 msgid "&View" msgstr "檢視" #: qtplugins/applycolors/applycolors.cpp:153 #, fuzzy msgid "Color Atoms" msgstr "顏色" #: qtplugins/applycolors/applycolors.cpp:155 #, fuzzy msgid "Color Residues" msgstr "依照殘基上顏色" #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:217 #: qtplugins/applycolors/applycolors.cpp:318:171 rc.cpp:1967 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.cpp:225 msgid "Apply Index Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:289 msgid "Apply Charge Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:327 msgid "Apply Distance Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:353 msgid "Reset Atom Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:379 msgid "Apply Custom Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:416 msgid "Apply Custom Residue Color" msgstr "" #: qtplugins/applycolors/applycolors.cpp:440 msgid "Reset Residue Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:474 msgid "Apply Secondary Structure Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:562 msgid "Apply Amino Acid Colors" msgstr "" #: qtplugins/applycolors/applycolors.cpp:589 msgid "Apply Shapely Colors" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/autoopt/autoopt.cpp:67 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/autoopt/autoopt.cpp:68 msgid "Auto Optimize" msgstr "" #: qtplugins/autoopt/autoopt.cpp:70 #, qt-format msgid "" "Auto Optimize Tool\t(%1)\n" "\n" "Navigation Functions when clicking in empty space.\n" "Left Mouse:\tRotate Space\n" "Middle Mouse:\tZoom Space\n" "Right Mouse:\tMove Space\n" "Double-Click:\tReset View\n" "\n" "When running:\n" "Left Mouse:\tClick and drag atoms to move them.\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/autoopt/autoopt.cpp:205 #, fuzzy #| msgid "Optimization" msgid "Optimize" msgstr "最適化" #: qtplugins/autoopt/autoopt.cpp:206 msgid "Dynamics" msgstr "" #: qtplugins/autoopt/autoopt.cpp:210 msgid "Task:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/autoopt/autoopt.cpp:235:344 msgid "Method:" msgstr "方式:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) #: qtplugins/autoopt/autoopt.cpp:247:1603 msgid "Temperature:" msgstr "溫度：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) #: qtplugins/autoopt/autoopt.cpp:259:1589 msgid "Timestep:" msgstr "" #: qtplugins/autoopt/autoopt.cpp:266 qtplugins/autoopt/autoopt.cpp:394 msgid "Start" msgstr "開始" #: qtplugins/autoopt/autoopt.cpp:324 msgid "Stop" msgstr "停止" #: qtplugins/autoopt/autoopt.cpp:464 qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:501 #: qtplugins/forcefield/forcefield.cpp:567 qtplugins/openbabel/openbabel.cpp:48 #: qtplugins/openbabel/openbabel.cpp:564 #, fuzzy msgid "Optimize Geometry" msgstr "最佳化幾何結構" #: qtplugins/autoopt/autoopt.cpp:528 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:261 msgid "Molecular Dynamics" msgstr "分子動力學" #: qtplugins/autoopt/autoopt.cpp:603 #, qt-format msgctxt "temperature in Kelvin" msgid "%1 T = %L2" msgstr "" #: qtplugins/autoopt/autoopt.cpp:608 #, qt-format msgctxt "change in energy in kJ/mol" msgid "%1 ΔE = %L2" msgstr "" #: qtplugins/autoopt/autoopt.h:46 msgid "Auto Optimize tool" msgstr "" #: qtplugins/autoopt/autoopt.h:49 msgid "Interactive optimization of molecular geometry" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:125 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "顯示多個鍵" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "显示氫" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "鍵中心調整" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view.\n" "Double-Click:\tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "鍵中心調整" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "理解鍵嗎" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy msgid "Bond Selected Atoms" msgstr "鍵所選的原子" #: qtplugins/bonding/bonding.cpp:62 #: qtplugins/propertytables/propertymodel.cpp:678 #, fuzzy msgid "Bond" msgstr "鍵" #: qtplugins/bonding/bonding.cpp:73 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:76 #, fuzzy msgid "Perceive bond orders." msgstr "理解鍵嗎" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "骨幹" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "帶狀" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "卡通" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "卡通" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:250 #: qtplugins/noncovalent/noncovalent.cpp:401 #, fuzzy msgid "Maximum distance:" msgstr "最大距離:" #: qtplugins/closecontacts/closecontacts.cpp:251 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:402 #: qtplugins/surfacerender/surfacerender.cpp:295 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:258 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:261 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:264 msgid "Repulsive" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:434 #: qtplugins/configurepython/configurepython.cpp:117 #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:231 #: qtplugins/forcefield/forcefield.cpp:233 #: qtplugins/openbabel/openbabel.cpp:113 #: qtplugins/packageinstaller/packageinstaller.cpp:35 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&延伸功能" #: qtplugins/commandscripts/command.cpp:77 #: qtplugins/commandscripts/command.cpp:96 #: qtplugins/commandscripts/command.cpp:435 #, fuzzy msgid "Scripts" msgstr "程式語法" #: qtplugins/commandscripts/command.cpp:153 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:92 #: qtplugins/lammpsinput/lammpsinput.cpp:63 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:153 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:295 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:350 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:352 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:44 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:48 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:34:201 rc.cpp:216 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:58 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:59 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:482 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/configurepython/configurepythondialog.cpp:215 #: qtplugins/editor/editortoolwidget.cpp:130 #: qtplugins/templatetool/templatetoolwidget.cpp:84 #: qtplugins/templatetool/templatetoolwidget.cpp:421 #: qtplugins/templatetool/templatetoolwidget.cpp:434 #: qtplugins/templatetool/templatetoolwidget.cpp:442 #: qtplugins/templatetool/templatetoolwidget.cpp:450 #: qtplugins/templatetool/templatetoolwidget.cpp:458 #: qtplugins/templatetool/templatetoolwidget.cpp:466 #: qtplugins/templatetool/templatetoolwidget.cpp:531:2223 msgid "Other…" msgstr "其他…" #: qtplugins/constraints/constraintsextension.cpp:22 msgid "Constraints…" msgstr "" #: qtplugins/constraints/constraintsextension.cpp:40 #: qtplugins/forcefield/forcefield.cpp:233 #, fuzzy msgid "&Calculate" msgstr "計算 (&C)" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConstraintsDialog) #: qtplugins/constraints/constraintsextension.h:27:226 msgid "Constraints" msgstr "" #: qtplugins/constraints/constraintsextension.h:31 msgid "Set constraints for geometry optimizations" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:60:235 msgid "Distance" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:62:238 msgid "Angle" msgstr "角度" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, comboType) #: qtplugins/constraints/constraintsmodel.cpp:64:241 msgid "Torsion Angle" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:68 msgctxt "fix / remain constant" msgid "Freeze Atom" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:70 msgctxt "fix / remain constant" msgid "Freeze X Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:72 msgctxt "fix / remain constant" msgid "Freeze Y Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:74 msgctxt "fix / remain constant" msgid "Freeze Z Axis" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:126 #: qtplugins/propertytables/propertymodel.cpp:664 #: qtplugins/propertytables/propertymodel.cpp:707 #: qtplugins/propertytables/propertymodel.cpp:724 #: qtplugins/symmetry/operationstablemodel.cpp:57 msgid "Type" msgstr "種類" #: qtplugins/constraints/constraintsmodel.cpp:129 msgid "Value" msgstr "" #: qtplugins/constraints/constraintsmodel.cpp:132 #: qtplugins/propertytables/propertymodel.cpp:709 #: qtplugins/propertytables/propertymodel.cpp:726 #, fuzzy msgid "Atom 1" msgstr "原子 1" #: qtplugins/constraints/constraintsmodel.cpp:135 #: qtplugins/propertytables/propertymodel.cpp:728 #, fuzzy msgid "Atom 2" msgstr "原子 2" #: qtplugins/constraints/constraintsmodel.cpp:138 #: qtplugins/propertytables/propertymodel.cpp:713 #: qtplugins/propertytables/propertymodel.cpp:730 #, fuzzy msgid "Atom 3" msgstr "原子 3" #: qtplugins/constraints/constraintsmodel.cpp:141 #: qtplugins/propertytables/propertymodel.cpp:732 #, fuzzy msgid "Atom 4" msgstr "原子 4" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "直角坐標編輯器（&C）…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "坐標編輯器" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "元素名稱" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "元素符號" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "原子指數" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "原子數" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X坐標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y坐標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z坐標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:209 qtplugins/label/label.cpp:232 #: qtplugins/label/label.cpp:247:2009 rc.cpp:2034 msgid "Custom" msgstr "自訂" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Turbomole 輸入" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:191 #: qtplugins/propertytables/propertyview.cpp:568:296 #, fuzzy msgid "Copy" msgstr "複製" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:35:293 msgid "Cut" msgstr "" #: qtplugins/copypaste/copypaste.cpp:36 msgid "Delete" msgstr "刪除" #: qtplugins/copypaste/copypaste.cpp:37 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:47 #, fuzzy msgid "SMILES" msgstr "SMILES 文字化學式" #: qtplugins/copypaste/copypaste.cpp:83 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "InChI" msgstr "" #: qtplugins/copypaste/copypaste.cpp:84 msgid "XYZ" msgstr "XYZ" #: qtplugins/copypaste/copypaste.cpp:85 qtplugins/copypaste/copypaste.cpp:87 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:87 #, fuzzy msgid "Copy As" msgstr "複製" #: qtplugins/copypaste/copypaste.cpp:165 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:166 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:167 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:171 qtplugins/copypaste/copypaste.cpp:292 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:253 qtplugins/copypaste/copypaste.cpp:286 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:254 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:287 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:288 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:38 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:255 #: qtplugins/forcefield/forcefield.cpp:80 #: qtplugins/plotconformer/plotconformer.cpp:145:1342 msgid "Energy" msgstr "能量" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:258 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:264 #, fuzzy msgid "Geometry Optimization" msgstr "幾何最佳化" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:333 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:336 #, fuzzy msgid "Molecular Mechanics" msgstr "分子力學" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:339 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:354 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:357 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:392:948 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:360:1518 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:363 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:377 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:380 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:383 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:386 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:389 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:395 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:398 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:401 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:415 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:418 #, fuzzy msgid "Conjugate Gradients" msgstr "共軛梯度" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:421 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:424 #, fuzzy msgid "Steepest descent" msgstr "Steepest Descent (最陡下降)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:539 #: qtplugins/gamessinput/gamessinputdialog.cpp:547 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:543 #: qtplugins/gamessinput/gamessinputdialog.cpp:551 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:952 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1001 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "加入單位晶格…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "超級晶格（&S）…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:54 #: qtplugins/plotxrd/plotxrd.cpp:54 qtplugins/spacegroup/spacegroup.cpp:124 #: qtplugins/spacegroup/spacegroup.cpp:126 #, fuzzy msgid "&Crystal" msgstr "結晶 (&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "移除單位晶格 (&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "加入單位晶格 (&U)" #: qtplugins/crystal/crystal.cpp:169 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:176 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:178 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:219 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:220 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "結晶" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:251 #: qtplugins/crystal/unitcelldialog.cpp:264 msgid "No unit cell present." msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) #: qtplugins/crystal/unitcelldialog.cpp:281 #: qtplugins/crystal/unitcelldialog.cpp:292 #: qtplugins/crystal/unitcelldialog.cpp:303:419 msgid "Unit Cell Editor" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:282 #: qtplugins/crystal/unitcelldialog.cpp:293 msgid "Ignoring singular cell matrix" msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:304 msgid "Ignoring singular fractional cell matrix" msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:30 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "偶極距" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:73 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:74 qtplugins/editor/editor.cpp:129 msgid "Draw" msgstr "繪圖" #: qtplugins/editor/editor.cpp:76 #, qt-format msgid "" "Draw Tool\t(%1)\n" "\n" "Left Mouse:\tClick and Drag to create Atoms and Bond\n" "Right Mouse:\tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:123 msgid "Draw Atom" msgstr "繪製原子" #: qtplugins/editor/editor.cpp:133 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:146 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:252 qtplugins/measuretool/measuretool.cpp:200 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "距離：" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:209:1988 rc.cpp:2006 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Single" msgstr "單鍵" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Double" msgstr "雙鍵" #: qtplugins/editor/editortoolwidget.cpp:212 msgid "Triple" msgstr "三鍵" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:39 msgid "&Import" msgstr "&匯入" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "取 PDB (蛋白質資料庫)" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:71 msgid "Chemical structure to download." msgstr "下載化學結構." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:86 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:97 #: qtplugins/networkdatabases/networkdatabases.cpp:108 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:98 msgid "Network timeout or other error." msgstr "連線逾時或是其他錯誤" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:109 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "找不到指定的分子: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "取自 PDB (蛋白質資料庫)" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:20 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:21 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 #: qtplugins/gamessinput/gamessinputdialog.cpp:269 #: qtplugins/plotconformer/plotconformer.cpp:147 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "設定力場…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "固定所選的原子" #: qtplugins/forcefield/forcefield.cpp:116 msgctxt "freeze x-axis of selected atoms" msgid "Freeze X" msgstr "" #: qtplugins/forcefield/forcefield.cpp:124 msgctxt "freeze y-axis of selected atoms" msgid "Freeze Y" msgstr "" #: qtplugins/forcefield/forcefield.cpp:132 msgctxt "freeze z-axis of selected atoms" msgid "Freeze Z" msgstr "" #: qtplugins/forcefield/forcefield.cpp:140 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:149 msgctxt "freeze atomic distances / glue atoms together" msgid "Fuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:157 msgctxt "freeze atomic distances / glue atoms together" msgid "Unfuse Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:470 #: qtplugins/forcefield/forcefield.cpp:640 #: qtplugins/forcefield/forcefield.cpp:693 #: qtplugins/playertool/playertool.cpp:391 #: qtplugins/playertool/playertool.cpp:423 qtplugins/surfaces/surfaces.cpp:961 #: qtplugins/surfaces/surfaces.cpp:1005 qtplugins/surfaces/surfaces.cpp:1017 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro 亞佛加厥" #: qtplugins/forcefield/forcefield.cpp:471 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:549 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:638 #, fuzzy, qt-format msgid "%1 Energy = %L2" msgstr "%1 能量 = %L2" #: qtplugins/forcefield/forcefield.cpp:691 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:61 #, fuzzy msgid "Forcefield optimization" msgstr "力埸最佳化" #: qtplugins/forcefield/forcefield.h:65 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:56 msgid "Options…" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:175 msgid "Invalid Model Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:176 #, qt-format msgid "Could not parse user options for model '%1'." msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:181 #, qt-format msgid "%1 Options" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:222 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:104 qtplugins/forcefield/obmmenergy.cpp:34 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:109 qtplugins/forcefield/obmmenergy.cpp:39 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:123 qtplugins/forcefield/obmmenergy.cpp:53 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "GAMESS（原子分子之電子結構系統）（&G）…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS (原子分子之電子結構系統) 輸入" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:263 #, fuzzy msgid "Single Point" msgstr "單點能量" #: qtplugins/gamessinput/gamessinputdialog.cpp:266 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:272 msgid "Transition State" msgstr "過渡狀態" #: qtplugins/gamessinput/gamessinputdialog.cpp:275 msgid "Frequencies" msgstr "頻率" #: qtplugins/gamessinput/gamessinputdialog.cpp:278 msgid "Make EFP" msgstr "產生 EFP" #: qtplugins/gamessinput/gamessinputdialog.cpp:404 msgid "Core Potential" msgstr "Core Potential" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/gamessinput/gamessinputdialog.cpp:419 #: qtplugins/label/label.cpp:199 qtplugins/label/label.cpp:229 #: qtplugins/label/label.cpp:242:1527 rc.cpp:1610 rc.cpp:1961 msgid "None" msgstr "無" #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "D1" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:425 msgid "D2" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:428 msgid "D3" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:431 msgid "D4" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:446 msgid "Gas" msgstr "氣體" #: qtplugins/gamessinput/gamessinputdialog.cpp:449 msgid "Water" msgstr "水" #: qtplugins/gamessinput/gamessinputdialog.cpp:464 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:467 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:470 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:485 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:488 msgid "Cation" msgstr "陽離子" #: qtplugins/gamessinput/gamessinputdialog.cpp:491 msgid "Neutral" msgstr "中性" #: qtplugins/gamessinput/gamessinputdialog.cpp:494 msgid "Anion" msgstr "陰離子" #: qtplugins/gamessinput/gamessinputdialog.cpp:497 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:888 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:938 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "自動加上氫原子" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:72 msgid "Add Hydrogens" msgstr "加上氫" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "移除氫" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:47 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:57 #, fuzzy msgid "&Hydrogens" msgstr "氫" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "氫" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/insertpeptide/insertpeptide.cpp:71 #: qtplugins/lineformatinput/lineformatinput.cpp:62 msgid "&Insert" msgstr "插入" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "插入 DNA／RNA…" #: qtplugins/insertdna/insertdna.cpp:161 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:162 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:168 #, fuzzy msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:169:650 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:110 #: qtplugins/lineformatinput/lineformatinput.cpp:125:1216 msgid "Insert Molecule…" msgstr "加入分子…" #: qtplugins/insertdna/insertdna.cpp:203 #: qtplugins/lineformatinput/lineformatinput.cpp:126 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy msgid "InsertDNA" msgstr "插入 DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "分子…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "結晶…" #: qtplugins/insertfragment/insertfragment.cpp:112 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:124:398 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:137 msgid "Insert Fragment" msgstr "插入片斷" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "插入片斷" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "插入片斷以建立更大的分子" #: qtplugins/insertpeptide/insertpeptide.cpp:56 msgid "Peptide…" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertPeptideDialog) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:545 #. i18n: ectx: property (text), widget (QPushButton, insertButton) #: qtplugins/insertpeptide/insertpeptide.cpp:518:692 rc.cpp:880 msgid "Insert Peptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:36 msgid "InsertPeptide" msgstr "" #: qtplugins/insertpeptide/insertpeptide.h:39 msgid "Insert oligopeptide sequences." msgstr "" #: qtplugins/label/label.cpp:169 qtplugins/surfacerender/surfacerender.cpp:311 #: qtplugins/surfacerender/surfacerender.cpp:317 msgid "Color:" msgstr "顏色:" #: qtplugins/label/label.cpp:179 msgid "Distance from center:" msgstr "" #: qtplugins/label/label.cpp:189 msgid "Label scale:" msgstr "" #: qtplugins/label/label.cpp:200 qtplugins/label/label.cpp:231 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:201 msgid "Unique ID" msgstr "單一的 ID" #: qtplugins/label/label.cpp:202 qtplugins/propertytables/propertymodel.cpp:630 #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Element" msgstr "元素" #: qtplugins/label/label.cpp:203 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:205 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:207 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:222 #, fuzzy msgid "Atom Label:" msgstr "原子標示" #: qtplugins/label/label.cpp:230 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:236 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:243 qtplugins/propertytables/propertymodel.cpp:687 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:244 #: qtplugins/packageinstaller/packagemodel.cpp:172 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 #: qtplugins/propertytables/propertymodel.cpp:685 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:245 msgid "Name & ID" msgstr "" #: qtplugins/label/label.cpp:252 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:33 msgid "" "Atom Label Tool\n" "\n" "Left Mouse:\tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:79 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "您希望更新預覽的文字嗎? 將會失去所有在 Lammps 輸入工作區預覽框中的變更" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 #: qtplugins/surfacerender/surfacerender.cpp:284 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1780 msgid "Opacity:" msgstr "不透明度:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:32 msgid "SMILES…" msgstr "SMILES 文字化學式…" #: qtplugins/lineformatinput/lineformatinput.cpp:38 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 #: qtplugins/lineformatinput/lineformatinput.cpp:114 #, fuzzy msgid "No descriptors found!" msgstr "沒有描述" #: qtplugins/lineformatinput/lineformatinput.cpp:90 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:115 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:145 msgid "No coordinates found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:146 msgid "Unable to generate 3D coordinates." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "調整" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to move atoms\n" "Right Mouse:\tClick and drag to rotate atoms." msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:51 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 msgid "Measure" msgstr "測量" #: qtplugins/measuretool/measuretool.cpp:54 #, qt-format msgid "" "Measure Tool\t(%1)\n" "\n" "Left Mouse:\tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse:\tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:208 msgid "Dihedral:" msgstr "二面體" #: qtplugins/measuretool/measuretool.cpp:199 #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angle:" msgstr "角度：" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:64 msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:171 #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:178 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:180 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:182 msgid "Monoisotopic Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:184 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:186 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:188 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:190 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:192 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:194 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:196 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:198 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:200 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:202 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:204 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:206 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:208 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:211 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:214 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:216 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:218 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:220 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:38 msgid "&Molecular…" msgstr "分子的（&M）…" #: qtplugins/molecularproperties/molecularproperties.cpp:50 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/plotconformer/plotconformer.cpp:56 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:62 qtplugins/surfaces/surfaces.cpp:281 #: qtplugins/symmetry/symmetry.cpp:80 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analyze" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:60 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:80 msgid "&Properties" msgstr "性質" #: qtplugins/molecularproperties/molecularproperties.h:36 msgid "Molecular Properties" msgstr "分子性質" #: qtplugins/molecularproperties/molecularview.cpp:40 #: qtplugins/propertytables/propertyview.cpp:64 msgid "Molecule Properties" msgstr "分子性質" #: qtplugins/molecularproperties/molecularview.cpp:138 #: qtplugins/propertytables/propertyview.cpp:492 #, fuzzy msgid "Export CSV" msgstr "匯出CSV" #: qtplugins/molecularproperties/molecularview.cpp:139 #: qtplugins/propertytables/propertyview.cpp:493 #, fuzzy msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV 檔 (*.csv);;所有檔案 (*)" #: qtplugins/molecularproperties/molecularview.cpp:151 #: qtplugins/propertytables/propertyview.cpp:505 #, fuzzy msgid "Could not open the file for writing." msgstr "無法開啟檔案以進行寫入" #: qtplugins/molecularproperties/molecularview.cpp:184 #: qtplugins/propertytables/propertyview.cpp:537 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:196 #: qtplugins/propertytables/propertyview.cpp:573 msgid "Export…" msgstr "匯出…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "導覽" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool\t(%1)\n" "\n" "Left Mouse:\tClick and drag to rotate the view.\n" "Middle Mouse:\tClick and drag to zoom in or out.\n" "Right Mouse:\tClick and drag to move the view." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:65 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:106 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:108 msgid "" "Default:\tScroll down to shrink, scroll up to zoom\n" "Reversed:\tScroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "導覽工具" #: qtplugins/networkdatabases/networkdatabases.cpp:70 msgid "Chemical Name" msgstr "化合物名稱" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:400 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:412 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:415 msgid "Chalcogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:54 msgid "Configure Force Field…" msgstr "設定力場…" #: qtplugins/openbabel/openbabel.cpp:60 msgid "Conformer Search…" msgstr "找尋構形異構物…" #: qtplugins/openbabel/openbabel.cpp:66 #, fuzzy msgid "Perceive Bonds" msgstr "理解鍵嗎" #: qtplugins/openbabel/openbabel.cpp:78 msgid "Add Hydrogens for pH…" msgstr "依照 pH 加上氫…" #: qtplugins/openbabel/openbabel.cpp:84 #, fuzzy msgid "Remove Hydrogens" msgstr "移除氫" #: qtplugins/openbabel/openbabel.cpp:95 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:113 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:120 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:206 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:212 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:221 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:231 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:373 qtplugins/openbabel/openbabel.cpp:401 #: qtplugins/openbabel/openbabel.cpp:437 qtplugins/openbabel/openbabel.cpp:582 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:428 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:446 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:471 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "最佳化幾何結構 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:625 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:491 qtplugins/openbabel/openbabel.cpp:642 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:497 qtplugins/openbabel/openbabel.cpp:648 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:511 qtplugins/openbabel/openbabel.cpp:519 #: qtplugins/openbabel/openbabel.cpp:662 qtplugins/openbabel/openbabel.cpp:670 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:533 qtplugins/openbabel/openbabel.cpp:684 msgid "Updating molecule…" msgstr "正在更新分子…" #: qtplugins/openbabel/openbabel.cpp:541 qtplugins/openbabel/openbabel.cpp:692 #: qtplugins/openbabel/openbabel.cpp:783 qtplugins/openbabel/openbabel.cpp:965 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:554 qtplugins/openbabel/openbabel.cpp:705 #: qtplugins/openbabel/openbabel.cpp:795 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:573 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:591 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:624 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:715 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:734 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:740 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:746 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:747 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:754 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:765 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:775 msgid "Updating molecule from Open Babel…" msgstr "正在從 Open Babel 更新分子…" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:869 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:832 qtplugins/openbabel/openbabel.cpp:882 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "加上氫 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:833 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:841 qtplugins/openbabel/openbabel.cpp:891 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:854 qtplugins/openbabel/openbabel.cpp:904 #: qtplugins/openbabel/openbabel.cpp:946 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "Add hydrogens for pH" msgstr "依照 pH 加上氫" #: qtplugins/openbabel/openbabel.cpp:876 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:883 qtplugins/openbabel/openbabel.cpp:925 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:924 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "移除氫 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:933 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:956 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1019 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1052 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1054 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:84 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1428 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1043 #: qtplugins/openmminput/openmminputdialog.cpp:1050 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1061 #: qtplugins/openmminput/openmminputdialog.cpp:1070:1545 rc.cpp:1558 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:31 msgid "Render reference axes in the corner of the display." msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, PackageManagerDialog) #: qtplugins/packageinstaller/packageinstaller.cpp:17:1701 msgid "Manage Plugins…" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:32 msgid "Package Installer" msgstr "" #: qtplugins/packageinstaller/packageinstaller.h:36 msgid "Install, update, and remove Avogadro packages." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:137 #, qt-format msgid "Error downloading plugin list: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:146 msgid "Error: empty response from server." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:241 #, qt-format msgid "Error fetching README: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:283 msgid "Nothing Selected" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:284 msgid "Check the box next to a plugin to install or update it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:294 #, qt-format msgid "%1 (requires %2)" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:298 msgid "Version Incompatibility" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:299 #, qt-format msgid "" "The following plugins require a newer version of Avogadro:\n" "\n" "%1\n" "\n" "Install anyway?" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:326 msgid "No Download Available" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:327 #, qt-format msgid "" "The selected plugin(s) do not provide a downloadable source URL:\n" "\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:374 #, qt-format msgid "Failed to follow redirect while downloading %1.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:391 #, qt-format msgid "Failed to download from %1: status %2, %3\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:400 #, qt-format msgid "Failed to download from %1: %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:435 #: qtplugins/plugindownloader/downloaderwidget.cpp:364 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:449 #, qt-format msgid "Extracting %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:457 #, qt-format msgid "Extraction complete (%1 files)\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:492 #, qt-format msgid "Error: could not move extracted package %1 to %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:505 #, qt-format msgid "Extraction error: %1" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:507 msgid "Extraction yielded no files.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:517 msgid "Installation complete.\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:565 msgid "Nothing to Remove" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:566 msgid "Check the box next to an installed plugin to remove it." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:572 msgid "Remove Plugins" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:573 #, qt-plural-format msgctxt "" msgid "Remove %n selected plugin(s)?" msgid_plural "Remove %n selected plugin(s)?" msgstr[0] "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:577 msgid "Keep Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:579 msgid "Delete Files" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:612 msgid "Select Plugin Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:618 msgid "Invalid Directory" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:619 msgid "The selected directory does not contain a pyproject.toml file." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:633 #, qt-format msgid "Plugin already installed as symlink: %1\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:648 #, qt-format msgid "Created symlink: %1 → %2\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:651 msgid "Symlink creation failed; copying files instead…\n" msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:654 #, qt-format msgid "Failed to copy package to %1." msgstr "" #: qtplugins/packageinstaller/packagemanagerdialog.cpp:659 #, qt-format msgid "Installing plugin from %1…\n" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:58 msgid "Not installed" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:60 msgid "Installed (up to date)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:62 msgid "Update available" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:64 msgid "Installed locally (not in online catalog)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:70 #, qt-format msgid "Requires Avogadro %1 or later (running %2)" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:162 #, qt-format msgid "" "Feature icons:\n" "%1" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:170 msgid "Status" msgstr "狀態" #: qtplugins/packageinstaller/packagemodel.cpp:174 #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Version" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:176 msgid "Features" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:178 #: qtplugins/plugindownloader/downloaderwidget.cpp:68 msgid "Description" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:564 msgid "Electrostatics" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:566 msgid "Energy Models" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:568 msgid "File Formats" msgstr "" #: qtplugins/packageinstaller/packagemodel.cpp:570 #, fuzzy msgid "Input Generators" msgstr "匯入產生器" #: qtplugins/packageinstaller/packagemodel.cpp:572 msgid "Commands" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:60 #: qtplugins/plugindownloader/zipextracter.cpp:67 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to list contents.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:117 #: qtplugins/plugindownloader/zipextracter.cpp:115 #, qt-format msgctxt "%1 is the error message from libarchive" msgid "" "ERROR: could not open zip file to extract files.\n" "(%1)" msgstr "" #: qtplugins/packageinstaller/zipextractor.cpp:134 #: qtplugins/packageinstaller/zipextractor.cpp:151 #: qtplugins/packageinstaller/zipextractor.cpp:162 #: qtplugins/plugindownloader/zipextracter.cpp:132 #: qtplugins/plugindownloader/zipextracter.cpp:151 #: qtplugins/plugindownloader/zipextracter.cpp:161 #, qt-format msgctxt "%1 is the message from libarchive" msgid "Warning: (%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:51 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:52 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:53 #, qt-format msgid "Animation Tool\t(%1)" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:83:2037 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:113 msgctxt "start or first frame index" msgid "Start:" msgstr "" #: qtplugins/playertool/playertool.cpp:124 msgctxt "end or last frame index" msgid "End:" msgstr "" #: qtplugins/playertool/playertool.cpp:138 #, fuzzy msgid "Dynamic bonding?" msgstr "Dynamic Bonds (動態的鍵)" #: qtplugins/playertool/playertool.cpp:146 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:152 msgctxt "frames per second" msgid " FPS" msgstr "" #: qtplugins/playertool/playertool.cpp:160 #: qtplugins/playertool/playertool.cpp:234 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:165 msgid "Record…" msgstr "" #: qtplugins/playertool/playertool.cpp:216 msgid "Pause" msgstr "暫停" #: qtplugins/playertool/playertool.cpp:291 #: qtplugins/playertool/playertool.cpp:396 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:293 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:294 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:308 qtplugins/surfaces/surfaces.cpp:932 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:314 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:315 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:360 #, fuzzy msgid "Movie (*.avi)" msgstr "影片檔 (*.avi)" #: qtplugins/playertool/playertool.cpp:392 qtplugins/surfaces/surfaces.cpp:1006 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:38 msgid "Plot Conformer Data…" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:127 msgid "Conformer Analysis" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:141 msgid "Plot Type:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/plotconformer/plotconformer.cpp:143:1339 msgid "RMSD" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:149 msgid "Velocities" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:158 msgid "Energy Units:" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:167 msgid "to" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:227 msgid "RMSD (Å)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:230 #, qt-format msgid "Relative Energy (%1)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:233 msgid "Forces (N)" msgstr "" #: qtplugins/plotconformer/plotconformer.cpp:235 msgid "Velocities (m/s)" msgstr "" #: qtplugins/plotconformer/plotconformer.h:36 msgid "PlotConformer" msgstr "" #: qtplugins/plotconformer/plotconformer.h:81 msgid "Generate and plot conformer data (RMSD or energy)." msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:36 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:120 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 qtplugins/plotxrd/plotxrd.cpp:150 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:34 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:69 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:36 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:149 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:187 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:222 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:257 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:269 qtplugins/plotxrd/plotxrd.cpp:281 #: qtplugins/plotxrd/plotxrd.cpp:292 qtplugins/plotxrd/plotxrd.cpp:299 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:39 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:87 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:67 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:104 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:109 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:270 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:278 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:279 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:323 #: qtplugins/plugindownloader/downloaderwidget.cpp:333 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:381 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:384 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:388 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:421 #, qt-format msgid "Error while extracting: %1" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:452 msgid "Installation canceled\n" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1762 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY 渲染…" #: qtplugins/ply/ply.cpp:68 qtplugins/povray/povray.cpp:68 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:68 #, fuzzy msgid "Save File" msgstr "儲存影片檔" #: qtplugins/ply/ply.cpp:69 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray 渲染…" #: qtplugins/povray/povray.cpp:69 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:307 msgid "Click to change color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:632 msgid "Valence" msgstr "價" #: qtplugins/propertytables/propertymodel.cpp:634 #, fuzzy msgid "Formal Charge" msgstr "形式電荷" #: qtplugins/propertytables/propertymodel.cpp:637 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:644 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:646 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:648 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:650 #: qtplugins/propertytables/propertymodel.cpp:672 #: qtplugins/propertytables/propertymodel.cpp:695 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:652 msgid "Isotope" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:654 #: qtplugins/propertytables/propertymodel.cpp:697 #, fuzzy msgid "Color" msgstr "顏色" #: qtplugins/propertytables/propertymodel.cpp:657 msgid "Atom" msgstr "原子" #: qtplugins/propertytables/propertymodel.cpp:666 msgid "Start Atom" msgstr "起始原子" #: qtplugins/propertytables/propertymodel.cpp:668 #, fuzzy msgid "End Atom" msgstr "終止原子" #: qtplugins/propertytables/propertymodel.cpp:670 #, fuzzy msgid "Bond Order" msgstr "鍵的級數" #: qtplugins/propertytables/propertymodel.cpp:674 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "長度 (Å)" #: qtplugins/propertytables/propertymodel.cpp:689 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:691 #, fuzzy msgid "Secondary Structure" msgstr "二級結構" #: qtplugins/propertytables/propertymodel.cpp:693 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:711 msgid "Vertex" msgstr "頂點" #: qtplugins/propertytables/propertymodel.cpp:715 #: qtplugins/propertytables/propertymodel.cpp:734 #, fuzzy msgid "Angle (°)" msgstr "角度 (°)" #: qtplugins/propertytables/propertymodel.cpp:745 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:748 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1038 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1195 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "π 螺旋" #: qtplugins/propertytables/propertymodel.cpp:1197 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1199 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "α 螺旋" #: qtplugins/propertytables/propertymodel.cpp:1201 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "β 平板" #: qtplugins/propertytables/propertymodel.cpp:1203 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 螺旋" #: qtplugins/propertytables/propertymodel.cpp:1205 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1207 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:1209 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "原子的性質…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "鍵的性質…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "鍵角的性質…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "扭力的性質…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editing atom, bond, angle and torsion properties." msgstr "這些視窗可以用來顯示原子, 鍵, 鍵角, 及扭力性質等." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:46 msgid "Atom Properties" msgstr "原子的性質" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Bond Properties" msgstr "鍵的性質" #: qtplugins/propertytables/propertyview.cpp:52 msgid "Angle Properties" msgstr "鍵角的性質" #: qtplugins/propertytables/propertyview.cpp:55 msgid "Torsion Properties" msgstr "扭力的性質" #: qtplugins/propertytables/propertyview.cpp:58 msgid "Conformer Properties" msgstr "異構物性質" #: qtplugins/propertytables/propertyview.cpp:61 #, fuzzy msgid "Residue Properties" msgstr "殘基性質" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Partial Charge Type" msgstr "" #: qtplugins/propertytables/propertyview.cpp:559 msgid "Select the partial charge type:" msgstr "" #: qtplugins/propertytables/propertyview.cpp:580 msgid "Change Charge Type…" msgstr "" #: qtplugins/propertytables/propertyview.cpp:587 msgid "Freeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:591 msgid "Freeze X" msgstr "" #: qtplugins/propertytables/propertyview.cpp:594 msgid "Freeze Y" msgstr "" #: qtplugins/propertytables/propertyview.cpp:597 msgid "Freeze Z" msgstr "" #: qtplugins/propertytables/propertyview.cpp:600 msgid "Unfreeze Atom" msgstr "" #: qtplugins/propertytables/propertyview.cpp:608 msgid "Constrain Bond" msgstr "" #: qtplugins/propertytables/propertyview.cpp:610 msgid "Constrain Angle" msgstr "" #: qtplugins/propertytables/propertyview.cpp:612 msgid "Constrain Torsion" msgstr "" #: qtplugins/propertytables/propertyview.cpp:619 msgid "Remove Constraint" msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:163 #: qtplugins/qtaim/qtaimwavefunction.h:82 #, qt-format msgid "Cannot read file %1." msgstr "" #: qtplugins/qtaim/qtaimcriticalpointlocator.cpp:451 msgid "Failed to create a temporary file." msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "分子軌域…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:90 msgid "Open WFN File" msgstr "開啟 WFN 檔" #: qtplugins/qtaim/qtaimextension.cpp:91 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN 檔 (*.wfn);;所有檔案 (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM 延伸" #: qtplugins/quantuminput/quantuminput.h:43 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:47 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:40 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:53 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:35 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:39 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:30 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:34 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "依元素選擇…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy msgid "Select by Residue…" msgstr "依照殘基來選擇…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "選取" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "所選元素" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 #, fuzzy msgid "Select Atom" msgstr "選擇原子" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "選擇殘基" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:2076 #, fuzzy msgid "Select" msgstr "選取" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "選擇" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool\t(%1)\n" "\n" "Left Mouse:\tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse:\tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click:\tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:248 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:60 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:78:2061 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:83 #: qtplugins/spacegroup/spacegroup.cpp:576 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:89 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:95 #, fuzzy msgid "Fill Unit Cell…" msgstr "填入單位晶胞…" #: qtplugins/spacegroup/spacegroup.cpp:101 msgctxt "fill the translationally unique repeat unit" msgid "Fill Translation Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:126 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:133 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:135 msgid "Fill all atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:390 #: qtplugins/spacegroup/spacegroup.cpp:418 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:391 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:407 #, qt-format msgid "" "Space group perception succeeded:\n" "Tolerance: %1 Å\n" "Space Group: %2\n" "Hall symbol: %3\n" "International symbol: %4" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:424 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:425 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:440 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:441 #: qtplugins/spacegroup/spacegroup.cpp:469 #: qtplugins/spacegroup/spacegroup.cpp:497 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:457 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:485 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:511 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:565 #, qt-format msgid "" "With a tolerance of %1 Å, the space group information was perceived to be " "the following:\n" "International number: %2\n" "Hall symbol: %3\n" "International symbol: %4\n" "\n" "Proceed with this space group?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:596 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2 亞佛加厥2" #: qtplugins/spacegroup/spacegroup.cpp:597 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:614 msgid "Triclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:616 msgid "Monoclinic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:618 msgid "Orthorhombic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:620 msgid "Tetragonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:622 msgid "Trigonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:624 msgid "Rhombohedral" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:626 msgid "Hexagonal" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:628 msgid "Cubic" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:660 msgid "Primitive Cell Detected" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:662 #, qt-format msgid "" "The current unit cell appears to be a primitive cell (non-90° angles), but " "the space group %1 expects a centered conventional cell.\n" "\n" "Filling the unit cell may create unexpected duplicate atoms.\n" "\n" "Would you like to create a conventional cell first?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:676 msgid "Failed to conventionalize the cell." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:692 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:693 msgid "Crystal System" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:725 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:87 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:32:1795 #, fuzzy msgid "Spectra" msgstr "光譜" #: qtplugins/spectra/spectra.h:34 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:567 #, fuzzy msgid "Infrared" msgstr "紅外線" #: qtplugins/spectra/spectradialog.cpp:571 #, fuzzy msgid "Raman" msgstr "拉曼" #: qtplugins/spectra/spectradialog.cpp:574 msgctxt "vibrational circular dichroism" msgid "Vibrational CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:578 msgctxt "magnetic circular dichroism" msgid "Magnetic CD" msgstr "" #: qtplugins/spectra/spectradialog.cpp:582 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:585 #, fuzzy msgid "Electronic" msgstr "電子" #: qtplugins/spectra/spectradialog.cpp:589 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:593 #: qtplugins/spectra/spectradialog.cpp:844 #, fuzzy msgid "Density of States" msgstr "態密度" #: qtplugins/spectra/spectradialog.cpp:636 msgid "Select Background Color" msgstr "選擇背景顏色" #: qtplugins/spectra/spectradialog.cpp:660 msgid "Select Foreground Color" msgstr "選擇前景顏色" #: qtplugins/spectra/spectradialog.cpp:673 msgid "Select Calculated Spectra Color" msgstr "選擇計算的光譜之顏色" #: qtplugins/spectra/spectradialog.cpp:685 msgid "Select Raw Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:698 msgid "Select Imported Spectra Color" msgstr "選擇匯入的光譜之顏色" #: qtplugins/spectra/spectradialog.cpp:744 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:745 msgid "Frequency (Hz)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:751 #, fuzzy msgid "Vibrational Spectra" msgstr "振動光譜" #: qtplugins/spectra/spectradialog.cpp:752 #: qtplugins/spectra/spectradialog.cpp:766 #: qtplugins/spectra/spectradialog.cpp:779 #: qtplugins/spectra/spectradialog.cpp:792 msgid "Wavenumbers (cm⁻¹)" msgstr "波數 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:753 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:765 #, fuzzy msgid "Raman Spectra" msgstr "拉曼光譜" #: qtplugins/spectra/spectradialog.cpp:767 #: qtplugins/spectra/spectradialog.cpp:780 #: qtplugins/spectra/spectradialog.cpp:793 #: qtplugins/spectra/spectradialog.cpp:806 #: qtplugins/spectra/spectradialog.cpp:820 #: qtplugins/spectra/spectradialog.cpp:833 msgid "Intensity" msgstr "強度" #: qtplugins/spectra/spectradialog.cpp:778 msgid "Vibrational Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:791 msgid "Magnetic Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:804 #, fuzzy msgid "NMR Spectra" msgstr "NMR光譜" #: qtplugins/spectra/spectradialog.cpp:805 #, fuzzy msgid "Chemical Shift (ppm)" msgstr "化學位移 (ppm)" #: qtplugins/spectra/spectradialog.cpp:818 #, fuzzy msgid "Electronic Spectra" msgstr "電子光譜" #: qtplugins/spectra/spectradialog.cpp:819 #: qtplugins/spectra/spectradialog.cpp:832 #: qtplugins/spectra/spectradialog.cpp:845 #: qtplugins/surfaces/orbitaltablemodel.cpp:135 msgid "Energy (eV)" msgstr "能量 (eV)" #: qtplugins/spectra/spectradialog.cpp:831 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:846:1686 msgid "Density" msgstr "" #: qtplugins/spectra/spectradialog.cpp:965 msgid "Smoothed" msgstr "" #: qtplugins/spectra/spectradialog.cpp:974 msgid "Raw" msgstr "" #: qtplugins/spectra/spectradialog.cpp:985 msgid "Imported" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "Import Data" msgstr "" #: qtplugins/spectra/spectradialog.cpp:1021 msgid "CSV Files (*.csv);;TSV Files (*.tsv)" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:270 msgid "Surface" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) #: qtplugins/surfacerender/surfacerender.cpp:272:1683 msgid "Volume" msgstr "" #: qtplugins/surfacerender/surfacerender.cpp:275 msgid "Style:" msgstr "" #: qtplugins/surfacerender/surfacerender.h:33 msgid "Render molecular surfaces." msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:50 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 msgid "Orbital" msgstr "軌域" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:137 #: qtplugins/symmetry/symmetry.h:34:2046 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:139 msgid "Occupation" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:141 msgid "Spin" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:152 #: qtplugins/surfaces/orbitaltablemodel.cpp:238 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:164 #: qtplugins/surfaces/orbitaltablemodel.cpp:239 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "分子軌域" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "電子密度" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO, 最高被佔有軌域)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO, 最低未被佔有軌域)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/surfaces/surfaces.cpp:88 #, fuzzy msgid "Create Surfaces…" msgstr "產生外觀…" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:120 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:124 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 qtplugins/surfaces/surfaces.cpp:126 #, fuzzy msgid "Render a molecular orbital." msgstr "渲染分子軌域" #: qtplugins/surfaces/surfaces.cpp:128 #, fuzzy msgid "Render the electron density." msgstr "渲染電子密度" #: qtplugins/surfaces/surfaces.cpp:129 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:131 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:317 #, qt-format msgctxt "3D Volume Data Set" msgid "Cube %1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:624 #, fuzzy msgid "Calculating electron density" msgstr "計算電子密度" #: qtplugins/surfaces/surfaces.cpp:633 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:642 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:898 msgctxt "finished rendering surface or molecular orbital" msgid "Surface Finished" msgstr "" #: qtplugins/surfaces/surfaces.cpp:909 qtplugins/surfaces/surfaces.cpp:937 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:911 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:912 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:962 msgid "Couldn't find the active render widget, failing." msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:31 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:39 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:335 #, fuzzy, qt-format msgid "Group %1" msgstr "群組 %1" #: qtplugins/symmetry/symmetrywidget.cpp:343 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:83 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:85 #, qt-format msgid "" "Template Tool\t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:418 #: qtplugins/templatetool/templatetool.cpp:586 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:506 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:804 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:36 #: qtplugins/templatetool/templatetool.h:37 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #: qtplugins/vibrations/vibrationdialog.cpp:39:2232 #, fuzzy msgid "Start Animation" msgstr "啟動動畫" #: qtplugins/vibrations/vibrationdialog.cpp:40 #, fuzzy msgid "Stop Animation" msgstr "停止動畫" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "振動" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:69 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:357 msgid "k-space" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:545 #, fuzzy, qt-format msgid "Error: %1 failed to start" msgstr "無法啟動 %1" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "對話框" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form (表格/形成)" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:924 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:366 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:33 #. i18n: ectx: property (text), widget (QPushButton, refreshButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "插入片斷…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "…" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "力場" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "成功了!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "部份電荷" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:33 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Add Constraints" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:287 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy msgid "Type:" msgstr "種類：" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:74 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Atom Indices:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:113 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Value:" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, addConstraint) msgid "Add" msgstr "新增" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:167 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Options" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:200 #. i18n: ectx: property (text), widget (QPushButton, getConstraint) msgid "Get Constraint" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:219 #. i18n: ectx: property (text), widget (QPushButton, deleteConstraint) msgid "Delete Selected" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:226 #. i18n: ectx: property (text), widget (QPushButton, deleteAllConstraints) msgid "Delete All" msgstr "" #. i18n: file: qtplugins/constraints/constraintsdialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, okButton) msgid "OK" msgstr "確定" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "格式:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " "Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " "\"Carbon\")
S - Element symbol " "(e.g. \"C\" for carbon)
L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate " "(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " "'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful " "for optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #, fuzzy msgid "Clear" msgstr "清除" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "套用" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:336 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "恢復預設值" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:343 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "預設值" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:373 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "儲存影片檔…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "建立" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:170 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "標題:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:313 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:323 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:287 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "計算:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:542 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:603 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:640 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "超級晶格選項" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 重複:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 重複:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 重複:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "文字標籤" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "鍵的級數:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS (原子分子之電子結構系統) 輸入" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:107 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "CONV THRESH" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "多重性" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:254 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "電荷:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "名稱" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "Nucleic Acids:" msgstr "核酸:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) #, fuzzy msgid "Other" msgstr "其他" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy msgctxt "single-strand DNA" msgid "Single" msgstr "單鍵" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy msgctxt "double-strand DNA" msgid "Double" msgstr "雙鍵" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Peptide Builder" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:46 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton) msgid "Alanine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:49 #. i18n: ectx: property (text), widget (QToolButton, toolButton) msgid "Ala" msgstr "Ala 丙胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:56 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_2) msgid "Arginine" msgstr "Arginine 精胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:59 #. i18n: ectx: property (text), widget (QToolButton, toolButton_2) msgid "Arg" msgstr "Arg 精胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:66 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_3) msgid "Asparagine" msgstr "Asparagine 天門冬醯胺" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:69 #. i18n: ectx: property (text), widget (QToolButton, toolButton_3) msgid "Asn" msgstr "Asn 天門冬醯胺" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:76 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_4) msgid "Aspartic acid" msgstr "Aspartic acid 天門冬酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:79 #. i18n: ectx: property (text), widget (QToolButton, toolButton_4) msgid "Asp" msgstr "Asp 天門冬酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:86 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_5) msgid "Cysteine" msgstr "Cysteine 半胱胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:89 #. i18n: ectx: property (text), widget (QToolButton, toolButton_5) msgid "Cys" msgstr "Cys 半胱胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:96 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_6) msgid "Glutamic acid" msgstr "Glutamic acid 麩胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:99 #. i18n: ectx: property (text), widget (QToolButton, toolButton_6) msgid "Glu" msgstr "Glu 麩胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:106 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_7) msgid "Glutamine" msgstr "Glutamine 麩醯胺" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:109 #. i18n: ectx: property (text), widget (QToolButton, toolButton_7) msgid "Gln" msgstr "Gln 麩醯胺" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:116 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_8) msgid "Glycine" msgstr "Glycine 甘胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:119 #. i18n: ectx: property (text), widget (QToolButton, toolButton_8) msgid "Gly" msgstr "Gly 甘胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:126 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_9) msgid "Histidine" msgstr "Histidine 組胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:129 #. i18n: ectx: property (text), widget (QToolButton, toolButton_9) msgid "His" msgstr "His 組胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:136 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_10) msgid "Isoleucine" msgstr "Isoleucine 異白胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:139 #. i18n: ectx: property (text), widget (QToolButton, toolButton_10) msgid "Ile" msgstr "Ile 異白胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:146 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_19) msgid "Valine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:149 #. i18n: ectx: property (text), widget (QToolButton, toolButton_19) msgid "Val" msgstr "Val 纈胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:156 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_18) msgid "Tyrosine" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:159 #. i18n: ectx: property (text), widget (QToolButton, toolButton_18) msgid "Tyr" msgstr "Tyr 酪胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:166 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_17) msgid "Tryptophan" msgstr "Tryptophan 色胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:169 #. i18n: ectx: property (text), widget (QToolButton, toolButton_17) msgid "Trp" msgstr "Trp 色胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:176 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_16) msgid "Threonine" msgstr "Threonine 蘇胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:179 #. i18n: ectx: property (text), widget (QToolButton, toolButton_16) msgid "Thr" msgstr "Thr 蘇胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:186 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_15) msgid "Serine" msgstr "Serine 絲胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:189 #. i18n: ectx: property (text), widget (QToolButton, toolButton_15) msgid "Ser" msgstr "Ser 絲胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:196 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_14) msgid "Proline" msgstr "Proline 脯胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:199 #. i18n: ectx: property (text), widget (QToolButton, toolButton_14) msgid "Pro" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:206 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_13) msgid "Phenylalanine" msgstr "Phenylalanine 苯丙胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:209 #. i18n: ectx: property (text), widget (QToolButton, toolButton_13) msgid "Phe" msgstr "Phe 苯丙胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:216 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_12) msgid "Methionine" msgstr "Methionine 甲硫胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:219 #. i18n: ectx: property (text), widget (QToolButton, toolButton_12) msgid "Met" msgstr "Met 甲硫胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:226 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_11) msgid "Lysine" msgstr "Lysine 離胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:229 #. i18n: ectx: property (text), widget (QToolButton, toolButton_11) msgid "Lys" msgstr "Lys 離胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:236 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_20) msgid "Leucine" msgstr "Leucine 白胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:239 #. i18n: ectx: property (text), widget (QToolButton, toolButton_20) msgid "Leu" msgstr "Leu 白胺酸" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:263 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Amino Acids:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:270 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence (N to C):" msgstr "序列 (由 N 到 C):" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:283 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Stereochemistry:" msgstr "立體化學" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:319 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "N Terminus:" msgstr "N 端:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:326 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "C Terminus:" msgstr "C 端:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:369 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Structure:" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:377 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "Straight Chain" msgstr "直鍊" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:382 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "α Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "β Sheet" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "3-10 Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, structureCombo) msgid "π Helix" msgstr "" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Chain Number:" msgstr "鍊的數目:" #. i18n: file: qtplugins/insertpeptide/insertpeptidedialog.ui:472 #. i18n: ectx: property (toolTip), widget (QComboBox, chainNumberCombo) msgid "The chain number for the new peptide" msgstr "新胜肽的鍊數" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/units.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

http://lammps.sandia.gov/doc/atom_style.html

" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:748 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:360 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:353 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:406 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:645 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:422 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:853 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:439 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:449 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:489 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:529 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:572 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:595 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:615 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:625 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:635 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:662 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:655 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:688 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:721 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:728 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:732 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:737 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:755 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:774 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:777 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:787 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:790 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:813 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:816 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:823 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:860 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:865 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:873 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:877 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:882 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:934 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "捨用表格" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:954 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy msgid "Origin" msgstr "原點" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "找尋構形異構物" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "方法" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "構形異構物的數目：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent (最陡下降)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "力場" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "參考" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "約束" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:23 #. i18n: ectx: property (placeholderText), widget (QLineEdit, searchEdit) msgid "Search plugins…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:69 #. i18n: ectx: property (text), widget (QPushButton, installLocalButton) msgid "Install from Directory…" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:89 #. i18n: ectx: property (text), widget (QPushButton, removeButton) msgid "Remove Selected" msgstr "" #. i18n: file: qtplugins/packageinstaller/packagemanagerdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, installButton) msgid "Install / Update Selected" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "波長" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2θ:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "臨界點半徑:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "鍵路徑之半徑:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "共價" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "固定大小" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "外觀" #. i18n: file: qtplugins/spectra/spectradialog.ui:217 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:389 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:422 #. i18n: ectx: property (text), widget (QPushButton, push_colorRaw) msgid "Set Color…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:237 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "匯入的光譜:" #. i18n: file: qtplugins/spectra/spectradialog.ui:248 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:253 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:258 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:263 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:268 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:276 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:286 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:296 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:438 #. i18n: ectx: property (text), widget (QCheckBox, cb_raw) msgid "Show" msgstr "顯示" #. i18n: file: qtplugins/spectra/spectradialog.ui:312 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "匯入實驗性光譜的 tsv 以覆蓋圖形" #. i18n: file: qtplugins/spectra/spectradialog.ui:315 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:328 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "背景:" #. i18n: file: qtplugins/spectra/spectradialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy msgid "Calculated Spectra:" msgstr "計算出來的光譜" #. i18n: file: qtplugins/spectra/spectradialog.ui:409 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "Raw Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:457 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:478 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "匯出資料" #. i18n: file: qtplugins/spectra/spectradialog.ui:491 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "關閉" #. i18n: file: qtplugins/spectra/spectradialog.ui:504 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:554 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:559 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:592 #. i18n: ectx: property (toolTip), widget (Avogadro::QtGui::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "控制:\n" "滑鼠左鍵雙擊: 回覆預設的軸限制\n" "右鍵 + 拖曳: 移動圖形\n" "中鍵 + 拖曳: 縮放到區域\n" "滾輪: 縮放到游標" #. i18n: file: qtplugins/spectra/spectradialog.ui:608 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data…" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "品質: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "中等" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "很高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "產生外觀" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Surface:" msgstr "表面/曲面" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "上色是依照:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy msgid "Electrostatic Potential" msgstr "靜電位能" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "解析度:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "等曲面值" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "亮" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:512 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "計算" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:525 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "分子" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "形式電荷" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:133 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:148 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:158 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:163 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:168 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:173 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:178 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:183 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:198 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:203 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:208 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:281 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:297 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:302 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:307 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:312 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:317 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:322 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:327 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:350 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:421 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "群組" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:427 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "群組" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:437 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:442 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:447 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:462 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:467 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:472 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:477 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "振幅：" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " "<x> <y> <z> where x, y, and z are fractional reciprocal " "space coordinates. Lines will be drawn connecting these k-points on the " "graph in the order you put them in. Please note that the orientation of your " "cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " "special k points will be automatically filled up with the primitive cell " "high symmetry points for that space group. There are a few space groups will " "different high symmetry points depending on the lattice (such as if a > b " "or a < b) - that is taken into account automatically.

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

GM 0.0 0.0 0.0

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ,Launchpad " "Contributions:,iychiang" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com" #, fuzzy #~ msgid "Angles:" #~ msgstr "角度：" #~ msgid " °" #~ msgstr " °" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #~ msgid "Cancel" #~ msgstr "取消" #~ msgid "°" #~ msgstr "°" #~ msgid " K" #~ msgstr " K" #, fuzzy #~ msgid " " #~ msgstr " " #~ msgid " eV" #~ msgstr " eV" #~ msgctxt "asking server for molecule name" #~ msgid "(pending)" #~ msgstr "(未決)" #, fuzzy #~ msgid "unknown molecule" #~ msgstr "不明分子" #, fuzzy #~ msgid "" #~ "Tables for displaying and editng atom, bond, angle and torsion properties." #~ msgstr "這些視窗可以用來顯示原子, 鍵, 鍵角, 及扭力性質等." #, fuzzy #~ msgid "&Analysis" #~ msgstr "分析" #~ msgid "..." #~ msgstr "..." #~ msgid "&Import..." #~ msgstr "匯入" #~ msgid "Set Color..." #~ msgstr "設定顏色..." #~ msgid "&Export..." #~ msgstr "匯出:" #~ msgid "&Load data..." #~ msgstr "載入資料" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "部份電荷" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "動畫" #, fuzzy #~ msgid "Geometry" #~ msgstr "幾何結構" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "加入單位晶格 (&U)" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "原子指數" #, fuzzy #~ msgid "By Distance" #~ msgstr "距離" #, fuzzy #~ msgid "Select Water…" #~ msgstr "原子指數" #, fuzzy #~ msgid "&Copy" #~ msgstr "全部複製" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "IUPAC 分子名稱:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "分子量 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "化學式:" #~ msgid "Number of Atoms:" #~ msgstr "原子的數目:" #~ msgid "Number of Bonds:" #~ msgstr "鍵的數目:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Jump Size:" #, fuzzy #~ msgid "In." #~ msgstr "In:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "片斷..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "DFT Functional:" #~ msgid "Other..." #~ msgstr "其他..." #, fuzzy #~ msgid "Filename" #~ msgstr "檔名:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "結構" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "導覽" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "導覽" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "元素名稱" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "所有檔案" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "菱形晶系" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "分子" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "沒有設定分子" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "貼上結晶" #~ msgid "SMILES..." #~ msgstr "SMILES 文字化學式..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "配合 pH 加上氫" #~ msgid "Atom Properties..." #~ msgstr "原子的特性" #~ msgid "Bond Properties..." #~ msgstr "鍵的特性" #~ msgid "Angle Properties..." #~ msgstr "鍵角性質..." #~ msgid "Torsion Properties..." #~ msgstr "扭轉的特性..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "分子性質..." #~ msgid "Create Surfaces..." #~ msgstr "產生外觀..." #~ msgid "Insert Fragment..." #~ msgstr "插入片段..." #~ msgid "Theory:" #~ msgstr "理論:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "距離 (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "可旋轉" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "構形異構物 %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "構形異構物 %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "角度 %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "構形異構物 %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "扭力 %1" #~ msgid "Torsion" #~ msgstr "扭轉" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "能量 (kJ/mol):" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Import" #~ msgstr "匯入" #~ msgid "Insert SMILES" #~ msgstr "插入 SMILES 文字化學式" #~ msgid "Insert SMILES fragment:" #~ msgstr "插入 SMILES 文字化學式片斷" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "貼上結晶" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "插入片斷以建立更大的分子" #~ msgid "E&xtensions" #~ msgstr "延伸功能" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "最佳化幾何結構" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "幾何構形最適化" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "加上氫" #, fuzzy #~ msgid "Stopped" #~ msgstr "停止" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "表面/曲面" #~ msgid "Color by Index" #~ msgstr "依照 index 上顏色" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "依照 index 上顏色 (紅, 橘, 黃, 綠, 藍, 紫)" #~ msgid "Color by Partial Charge" #~ msgstr "依照部分電荷上顏色" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "以不同顏色顯示原子的電荷分佈 (藍色表示正電, 紅色表示負電)" #~ msgid "Custom Color:" #~ msgstr "自訂顏色：" #~ msgid "Set custom colors for objects" #~ msgstr "為物件設定顏色" #~ msgid "Color by Distance" #~ msgstr "以不同顏色表示距離" #~ msgid "Color by distance from the first atom." #~ msgstr "以不同顏色表示與第一個原子的距離" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "依元素標示顏色 (碳=灰色, 氧=紅色, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "依照殘基上顏色 (胺基酸種類, 疏水性等)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS 樣式:" #~ msgid "Highlight Color:" #~ msgstr "重要標示之顏色：" #~ msgid "Color by SMARTS Pattern" #~ msgstr "依照 SMARTS 樣式呈色" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "標示出符合 SMARTS 樣式之特色" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "引擎" #~ msgid "Axes" #~ msgstr "軸" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "使用球 (原子) 及棒 (鍵) 呈現 primitives" #~ msgid "Hydrogen Bond" #~ msgstr "氫鍵" #~ msgid "Renders hydrogen bonds" #~ msgstr "繪出氫的結合鍵" #~ msgid "Select Atom Labels Color" #~ msgstr "選擇原子標示之顏色" #~ msgid "Select Bond Labels Color" #~ msgstr "選擇鍵標示之顏色" #~ msgid "Select Bond Labels Font" #~ msgstr "選擇鍵標示之字型" #~ msgid "Polygon" #~ msgstr "多邊形" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "以四面體八面體或其他呈現原子團的形狀" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "以彩帶呈現蛋白質的骨架" #~ msgid "Ring" #~ msgstr "環" #~ msgid "Renders rings with colored planes" #~ msgstr "以彩色平面呈現環狀結構" #~ msgid "Simple Wireframe" #~ msgstr "簡單的框線" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "以細線呈現化學鍵, 可用來表達大分子" #~ msgid "Van der Waals Spheres" #~ msgstr "凡得瓦球形" #~ msgid "Stick" #~ msgstr "棒狀" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "電子密度, 等值面 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 等值面 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "以細線呈現化學鍵, 可用來表達大分子或生物大分子" #~ msgid "Trajectory files" #~ msgstr "軌跡檔" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY 檔" #~ msgid "Open Trajectory File" #~ msgstr "開啟軌跡檔" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "加上附檔名 .avi" #~ msgid "Animation..." #~ msgstr "動畫" #~ msgid "Cannot read file format of file %1." #~ msgstr "無法讀取檔案 %1 的格式。" #~ msgid "Read trajectory file %1 failed." #~ msgstr "無法讀取軌跡檔 %1" #~ msgid "Must specify a valid .avi file name" #~ msgstr "必須要給定有效的 .avi 檔名" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "無法正確啟動 GL widget 所以無法儲存影片" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "無效的影片檔名. 必須包含完整的路徑" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "無效的影片檔名. 必須包含完整的子目錄名稱與檔名, 結尾是 .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "無法從檔名 %1 決定檔案的格式" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "使軌跡, 反應與振動變成動畫" #~ msgid "Cartesian Editor" #~ msgstr "直角坐標編輯器" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "尚未為分子定義單位晶格--無法使用比列坐標 (fractional coordinates)" #~ msgid "Cartesian Editor..." #~ msgstr "直角坐標 (笛卡兒坐標) 編輯" #~ msgid "Cartesian editor" #~ msgstr "直角坐標編輯器" #~ msgid "Number of atoms: %1" #~ msgstr "原子的數目: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "可旋轉的鍵的數目: %1" #~ msgid "Add constraint" #~ msgstr "加入限制條件" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "您的分子至少要有一個原子才能加入一限制條件" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "您的分子至少要有兩個原子才能加入一化學鍵結的限制條件" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "您的分子至少要三個原子才能加入鍵角的限制條件" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "您的分子至少要有四個原子才能加扭曲的限制條件" #~ msgid "&Length Unit" #~ msgstr "長度單位(&L)" #~ msgid "&Angle Unit" #~ msgstr "角度單位(&A)" #~ msgid "Show &Editors" #~ msgstr "顯示編輯者(&E)" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "晶格種類: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "單位晶格體積: %L1%2" #~ msgid "Undefined" #~ msgstr "未定義" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "三斜晶系" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "單斜晶系" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "斜方晶系" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "四方晶系" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "六方晶系" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "立方晶格" #~ msgid "&Nanometer" #~ msgstr "奈米 (&N)" #~ msgid "&Picometer" #~ msgstr "皮米 (picometer)(&P)" #~ msgid "&Degree" #~ msgstr "角度 (&D)" #~ msgid "&Radian" #~ msgstr "弧度 (&R)" #~ msgid "Display &cartesian coordinates" #~ msgstr "顯示直角坐標系 (&c)" #~ msgid "Trajectory..." #~ msgstr "軌跡..." #~ msgid "Open chemical file format" #~ msgstr "開起化學檔案格式" #~ msgid "Chemical files (*.xyz)" #~ msgstr "化學檔案 (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "開啟參數檔案" #~ msgid "Chemical files (*.parm7)" #~ msgstr "化學檔案 (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "匯入軌跡" #~ msgid "Import trajectory files" #~ msgstr "匯入軌跡檔" #~ msgid "Calculate Energy" #~ msgstr "計算能量" #~ msgid "Conformer Search..." #~ msgstr "尋找構形異構物" #~ msgid "Constraints..." #~ msgstr "限制條件..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "無法在這分子上設定所選的力場. 切換到 UFF." #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "ForceField" #~ msgstr "力場" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "使用分子力學力場 (molecular mechanics force fields) 以最適化分子及產生構形" #~ "異構物" #~ msgid "&Vector Graphics..." #~ msgstr "向量圖形..." #~ msgid "Common vector image formats" #~ msgstr "一般向量圖形格式" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "向量圖形匯出" #~ msgid "Change H to Methyl" #~ msgstr "把氫原子換成甲基" #~ msgid "H to Methyl" #~ msgstr "氫到甲基" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "把氫原子轉成甲基" #~ msgid "Add or remove hydrogens" #~ msgstr "加入或移除氫" #~ msgid "Peptide..." #~ msgstr "胜肽..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "插入短胜肽序列" #~ msgid "Invert Chirality" #~ msgstr "反轉掌性" #~ msgid "InvertChiral" #~ msgstr "反轉掌性" #~ msgid "Invert chiral centers" #~ msgstr "反轉掌性中心" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "未知" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "估計的偶極矩 (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "依化學名提取..." #~ msgid "Fetch from URL..." #~ msgstr "取自 URL..." #~ msgid "PDB Entry" #~ msgstr "PDB 項目" #~ msgid "PDB entry to download." #~ msgstr "可供下載 PDB 的項目" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "可供下載分子的 URL" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "無法載入指定的分子: %1" #~ msgid "Network Fetch" #~ msgstr "從網路讀取" #~ msgid "Fetch molecule files over the network." #~ msgstr "從網路讀取分子檔" #~ msgid "Show Preview" #~ msgstr "顯示預覽" #~ msgid "Hide Preview" #~ msgstr "取消預覽" #~ msgid "Save POV-Ray rendered image" #~ msgstr "儲存 POV-Ray 呈現影像" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "圖片檔案 (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "未提供有效檔名檔名." #~ msgid "Does not compute." #~ msgstr "無法計算" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "您要求非直接 POV-Ray 呈現及無要保存 POV-Ray 檔案. 這將導致無法儲存輸出的檔" #~ "案. 您確定要這樣做嗎?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "無法寫入檔案 %1. 您有寫入該處的權限嗎?" #~ msgid "POV-Ray failed to start." #~ msgstr "無法啟動 POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "無法啟動 POV-Ray. 可能是沒有正確設定可執行檔的路徑." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "產生及使用 POV-Ray 指令模式來呈現 POV-Ray 檔案" #~ msgid "Conformer Properties..." #~ msgstr "構形異構物的性質..." #~ msgid "Python Terminal" #~ msgstr "Python 終端機" #~ msgid "pythonTerminalDock" #~ msgstr "python 程式的小視窗" #~ msgid "Interactive python scripting terminal" #~ msgstr "互動式 python 指令終端機" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "道耳頓輸入檔產生器之警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "您要更新預覽文字嗎？將會失去在道耳頓輸入檔預覽處所做的改變。" #~ msgid "QM Matches" #~ msgstr "QM 配對" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP 選項..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM 選項..." #~ msgid "You must make a selection!" #~ msgstr "您必須先選取" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "無法轉換成 SMILES 化學式" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "無法使用轉換 SMILES 化學式" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS (原子分子之電子結構系統)" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "產生匯入檔給 GAMESS 量子化學套件" #~ msgid "Advanced Settings Changed" #~ msgstr "進階設定已變更" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "進階設定已變更\n" #~ "要忽略嗎?" #~ msgid "Advanced Settings Reset" #~ msgstr "重設進階設定" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您確定要重設進階設定嗎?\n" #~ "將失去原先的變更!" #~ msgid "Basic Settings Reset" #~ msgstr "重設基本設定" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您確定要重新設定所有的基本設定?\n" #~ "將會失去原先的變更!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK 輸入面板產生器警告" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK 輸入面板" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian 輸入平台產生器警告" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian 輸入平台" #~ msgid "Gaussian Running." #~ msgstr "Gaussian 執行中." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian 正在執行中. 請耐心等候到前一個運算結束." #~ msgid "Gaussian Not Installed." #~ msgstr "尚未安裝 Gaussian." #~ msgid "The G03 executable, cannot be found." #~ msgstr "找不到可執行檔的 G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "無法啟動 G03. 可能是安裝不正確." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 當機." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "無法順利執行 Gaussian. 可能是安裝不正確." #~ msgid "&Dalton..." #~ msgstr "道耳頓..." #~ msgid "&Gaussian..." #~ msgstr "高斯(&G)..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Moloro 輸入面板產生器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "您想要更新預覽文字嗎, 將會失去在 Molpro 輸入面板預覽方格所作的變更?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro 輸入面板" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC 輸入警告" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC 輸入面板" #~ msgid "MOPAC Running." #~ msgstr "MOPAC 執行中." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC 執行中. 請耐心等候到完成前一個計算." #~ msgid "MOPAC Not Installed." #~ msgstr "尚未安裝 MOPAC." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "找不到可執行的 MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "無法啟動 MOPAC, 可能是安裝不正確" #~ msgid "Running MOPAC calculation..." #~ msgstr "執行 MOPAC 計算..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC 當機" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "無法正確執行 MOPAC, 可能是安裝不正確." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem 輸入工作區產生器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "您希望更新預覽的文字嗎? 將會失去所有在 NWChem 輸入工作區預覽框中的變更" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem 輸入面板" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem 輸入產生器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "您要更新預覽的文字嗎? 將會失去所有在 Q-Chem 工具列所作的變更." #~ msgid "QChem Input Deck" #~ msgstr "QChem 輸入面板" #~ msgid "Select SMARTS..." #~ msgstr "選擇 SMARTS 化學式..." #~ msgid "Add Named Selection..." #~ msgstr "新增命名的選項" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS 化學式選項" #~ msgid "SMARTS pattern to select" #~ msgstr "請輸入需要的 SMARTS 樣式" #~ msgid "There is no current selection." #~ msgstr "目前沒有選項" #~ msgid "Add Named Selection" #~ msgstr "新增命名的選項" #~ msgid "Name cannot be empty." #~ msgstr "名稱不能留空白" #~ msgid "There is already a selection with this name." #~ msgstr "已存在一個同名的選項" #~ msgid "Selections" #~ msgstr "選項" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "選取原子, 鍵,殘基..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders (GLSL 幕後工程師)..." #~ msgid "Open a vertex shader source file" #~ msgstr "開啟 vertex shader 來源檔" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader 檔案 (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "開啟 fragment shader 來源檔" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader 檔案 (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters 檔案" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader 參數檔案 (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "載入及使用 OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "強度 (arb. 單位)" #~ msgid "Density of States (states/cell)" #~ msgstr "態密度 (態/晶格)" #~ msgid "Density of States (states/atom)" #~ msgstr "態密度 (態/原子)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "態密度 (態/價電子)" #~ msgid "Transmittance (%)" #~ msgstr "透光度 (%)" #~ msgid "Absorbance (%)" #~ msgstr "吸光度 (%)" #~ msgid "No intensities" #~ msgstr "沒有強度" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "您所載入的分子振動資料沒有任何強度的訊息. 為呈現圖形, 強度將設為任意的值." #~ msgid "Activity" #~ msgstr "活性" #~ msgid "X Axis" #~ msgstr "X 軸" #~ msgid "Y Axis" #~ msgstr "Y 軸" #~ msgid "&Infrared Spectra Settings" #~ msgstr "紅外線光譜設定" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR (核磁共振)" #~ msgid "&NMR Spectra Settings" #~ msgstr "NMR (核磁共振) 光譜設定" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&UV Settings" #~ msgstr "&UV 設定" #~ msgid "&CD Settings" #~ msgstr "&CD 設定" #~ msgid "&Raman Settings" #~ msgstr "拉曼設定" #~ msgid "No data" #~ msgstr "沒有資料" #~ msgid "Dark" #~ msgstr "暗" #~ msgid "Publication" #~ msgstr "出版" #~ msgid "Handdrawn" #~ msgstr "手繪" #~ msgid "New Scheme" #~ msgstr "新方案" #~ msgid "Confirm Scheme Removal" #~ msgstr "確認方案移除" #~ msgid "Really remove current scheme?" #~ msgstr "真的要移除目前的方案?" #~ msgid "Change Scheme Name" #~ msgstr "改變方案名稱" #~ msgid "Enter new name for current scheme:" #~ msgstr "為目前的方案輸入新名稱" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "標上分開的數值 (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "標上分開的數值" #~ msgid "Comma Separated Values" #~ msgstr "逗號分開的數值" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "未知的附檔名: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf 紅外線資料 (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole 紅外線資料 (控制)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV 數據 (光譜)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD 數據 (cdspectrum)" #~ msgid "Data Format" #~ msgstr "資料格式" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "格式:" #~ msgid "Load Spectral Data" #~ msgstr "載入光譜資料" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD 檔不是適當的檔案格式: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics (PNG 檔)" #~ msgid "jpeg" #~ msgstr "jpeg (jpeg 檔)" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format (TIFF 檔)" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap (位元影像圖形)" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap (可攜像素圖格式;PPM格式)" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap (X11 位元影像圖格式)" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap (X11 像素圖格式)" #~ msgid "Save Spectra Image" #~ msgstr "儲存光譜圖形" #~ msgid "&Advanced <<" #~ msgstr "進階 <<" #~ msgid "&Advanced >>" #~ msgstr "進階 >>" #~ msgid "&Spectra..." #~ msgstr "光譜..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "從量子化學計算顯示光譜的資料" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "振動分析" #~ msgid "No vibrational displacements exist." #~ msgstr "振動置換 (vibrational displacements) 不存在" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "依照量子化學計算的結果呈現振動的模式" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "依照頻率將 %1 的振動加以分類排序..." #~ msgid "Super Cell Builder..." #~ msgstr "超級晶格產生器..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "此文件有個單獨的分子. 您需要新增一個單位晶格." #~ msgid "Build and display crystallographic super cells" #~ msgstr "建立及呈現結晶學上的超級晶格" #~ msgid "Molecular Orbitals..." #~ msgstr "分子軌域..." #~ msgid "Orbitals" #~ msgstr "軌域" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "無" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "凡得瓦" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "電子密度" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "錯誤-未定義之種類" #~ msgid "Calculating VdW Cube" #~ msgstr "計算 VdW 立方" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "計算 MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "計算分子的軌域及其他表面" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget 沒有被正確的啟動以至無法產生影片" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget 沒有分子" #~ msgid "Building video " #~ msgstr "產生影片中 " #~ msgid "Could not run mencoder." #~ msgstr "無法執行 memcoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "目前 Avogadro 的工作視窗是 %1x%2 畫素, 而畫面比例是 %3.\n" #~ "您可以保留這設定, 例如, 如果您想要使用 POV-Ray\n" #~ "以產生 %4x1000 畫素的影像, 或者您可以自行設定畫面的大小,\n" #~ "例如範本 1 , 您可以設定成正方形的影像, 大小是 1000x1000 畫素." #~ msgid "Connect" #~ msgstr "連接" #~ msgid "Disconnect" #~ msgstr "斷線" #~ msgid "&WiiTrack" #~ msgstr "WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii 追蹤" #~ msgid "Track motion using Wii remotes" #~ msgstr "使用 Wii 遙控器作追蹤" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "無效的 OpenGL 上下文" #~ msgid "Debug Information" #~ msgstr "除錯訊息" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "可視大小: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "原子: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 超出範圍." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "無法讀取 '%1' 這種不支援的檔案格式" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "無法讀取 '%1' 這種不支援的檔案" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "從檔案 '%2'使用 index %1 讀取分子失敗." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "取代分子: index %1 超出範圍." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "不支援檔案 '%1'寫入功能" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "不支援寫數 '%1' 這種檔案格式" #~ msgid "Could not open file '%1' for reading." #~ msgstr "無法開啟檔案 '%1' 以讀取" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "在檔案 '%2' 使用 index %1 置換分子失敗." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "無法開啟檔案 '%1' 以讀取" #~ msgid "File %1 can not be opened for writing." #~ msgstr "無法開啟檔案 '%1' 以進行寫入" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "儲存分子檔失敗--無法寫入原始檔." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "儲存分子檔失敗--無法重新命名新檔." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "儲存分子檔失敗--無法移除舊檔." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "寫入分子檔 '%1' 失敗. OpenBabel 功能失效" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "無法開啟檔案 %1 以寫入." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "寫入構形異構物到檔案 '%1' 失敗." #~ msgid "Molecule %1" #~ msgstr "分子 %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "未知到 Python 引擎" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: 檢查中 " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - 沒有為腳本 (script) 定義 '引擎' class" #~ msgid " - no module" #~ msgstr " 沒有模組" #~ msgid "Unknown Python Extension" #~ msgstr "未知的 Python 延伸" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: 檢查中 " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - 沒有為腳本 (script) 定義 '延伸' class" #~ msgid "Unknown Python Tool" #~ msgstr "未知的 Python 工具" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: 檢查中 " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - 沒有為腳本 (script) 定義 '工具' class" #~ msgid "Tools" #~ msgstr "工具" #~ msgid "Align:" #~ msgstr "排列：" #~ msgid "Everything" #~ msgstr "任何東西" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "自動最佳化: 無法設定力場... (請檢查所繪製的分子是否正確)" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "每次更新步數：" #~ msgid "Algorithm:" #~ msgstr "演算法：" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "分子動力學 (600 K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "分子動力學 (900 K)" #~ msgid "Fixed atoms are movable" #~ msgstr "固定原子可移動" #~ msgid "Ignored atoms are movable" #~ msgstr "被忽略的原子可移動" #~ msgid "AutoOpt Molecule" #~ msgstr "自動最佳化分子" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "自動最適化分子的幾何構形" #~ msgid "AutoOptimization Settings" #~ msgstr "自動最適化設定" #~ msgid "Auto Rotation Tool" #~ msgstr "自動旋轉工具" #~ msgid "x rotation:" #~ msgstr "繞 X 軸旋轉：" #~ msgid "x rotation" #~ msgstr "繞 X 軸旋轉" #~ msgid "y rotation:" #~ msgstr "繞 Y 軸旋轉：" #~ msgid "y rotation" #~ msgstr "繞 Y 軸旋轉：" #~ msgid "z rotation:" #~ msgstr "繞 Z 軸旋轉：" #~ msgid "z rotation" #~ msgstr "繞 Z 軸旋轉" #~ msgid "Automatic rotation of molecules" #~ msgstr "自動旋轉分子" #~ msgid "AutoRotate Settings" #~ msgstr "自動旋轉設定" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "鍵長: %L1" #~ msgid " Show Angles" #~ msgstr " 顯示角度" #~ msgid "Snap-to Threshold: " #~ msgstr "貼近下限： " #~ msgid "Bond Centric Manipulate" #~ msgstr "鍵中心調整" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "調整鍵長, 鍵角及扭力" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "鍵中心調整設定" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "距離 (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "距離 (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "二平面角度: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "距離：" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "測量鍵長, 角度及二平面" #~ msgid "Draw Bond" #~ msgstr "繪製鍵" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "繪製及編輯原子與鍵" #~ msgid "Draw Settings" #~ msgstr "繪製功能設定" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "轉化, 旋轉, 和調整原子及片斷" #~ msgid "Manipulate Settings" #~ msgstr "調整功能設定" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "轉化, 旋轉及縮放目前的視景" #~ msgid "Navigate Settings" #~ msgstr "導引功能設定" #~ msgid "Selection Mode:" #~ msgstr "選擇模式：" #~ msgid "Atom/Bond" #~ msgstr "原子/鍵" #~ msgid "Residue" #~ msgstr "殘基" #~ msgid "Change color of the atom" #~ msgstr "改變該原子的顏色" #~ msgid "Change label of the atom" #~ msgstr "改變該原子的標籤" #~ msgid "Change label of the bond" #~ msgstr "改變該鍵的標籤" #~ msgid "Change radius of the atom" #~ msgstr "改變該原子的半徑" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "新的半徑, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "選取原子, 殘基與分子" #~ msgid "Symbol" #~ msgstr "符號" #~ msgid "Bond Length" #~ msgstr "鍵長" #~ msgid "Dihedral Angle" #~ msgstr "二平面角" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix 編輯器..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "新增/編輯 z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix 設定" #~ msgid "Color residues by:" #~ msgstr "殘基上色依照:" #~ msgid "Hydrophobicity" #~ msgstr "疏水性" #~ msgid "Axes:" #~ msgstr "軸：" #~ msgid "Cartesian Axes" #~ msgstr "直角坐標軸" #~ msgid "Orthogonal Axes" #~ msgstr "正交軸" #~ msgid "Axis 1:" #~ msgstr "軸 1：" #~ msgid "Axis 2:" #~ msgstr "軸 2：" #~ msgid "Axis 3:" #~ msgstr "軸 3：" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "保留向量範數" #~ msgid "Atom Radius:" #~ msgstr "原子半徑：" #~ msgid "Bond Radius:" #~ msgstr "鍵的半徑：" #~ msgid "Shape" #~ msgstr "形狀" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "圈" #~ msgid "Dipole:" #~ msgstr "偶極:" #~ msgid "Custom Vector" #~ msgstr "自訂向量" #~ msgid "Custom:" #~ msgstr "自訂:" #~ msgid "Cut-off radius:" #~ msgstr "截止半徑" #~ msgid "Cut-off angle:" #~ msgstr "截斷角度：" #~ msgid "Rendering Engine:" #~ msgstr "描述之引擎:" #~ msgid "TextRenderer" #~ msgstr "文字描述器" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "文字：" #~ msgid "Symbol & Number in Group" #~ msgstr "在一群原子中，符號與編號" #~ msgid "Symbol & Atom number" #~ msgstr "原子符號與原子序" #~ msgid "Residue number" #~ msgstr "殘基編號" #~ msgid "Custom data" #~ msgstr "客製資料" #~ msgid "Change Font" #~ msgstr "改變字型" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "鍵的長度" #~ msgid "Bond number" #~ msgstr "鍵的編號" #~ msgid "Bond order" #~ msgstr "鍵的級數" #~ msgid "Radius:" #~ msgstr "半徑:" #~ msgid "Include Nitrogens" #~ msgstr "包含氮" #~ msgid "VdW Opacity:" #~ msgstr "VdW 不透明度：" #~ msgid "Orbital:" #~ msgstr "軌域：" #~ msgid "Render:" #~ msgstr "呈現:" #~ msgid "Fill" #~ msgstr "填入" #~ msgid "Points" #~ msgstr "點" #~ msgid "Draw Box:" #~ msgstr "繪製盒：" #~ msgid "Mapped Colors" #~ msgstr "繪製地圖的顏色" #~ msgid "Positive" #~ msgstr "正" #~ msgid "Negative" #~ msgstr "負" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "動畫軌跡" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "迴圈 (重複播放動畫)" #~ msgid "Save as .avi..." #~ msgstr "存成 .avi..." #~ msgid "Bohrs" #~ msgstr "波爾" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, 只有坐標" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS 輸入 #2" #~ msgid "Priroda Input" #~ msgstr "Priroda 輸入" #~ msgid "Apply Changes" #~ msgstr "套用變更" #~ msgid "Cut All" #~ msgstr "剪下所有" #~ msgid "Paste to the End" #~ msgstr "貼到末端" #~ msgid "(None)" #~ msgstr "（無）" #~ msgid "Sort by " #~ msgstr "分類是根據 " #~ msgid "Number of atoms:" #~ msgstr "原子的數目:" #~ msgid "Number of rotatable bonds:" #~ msgstr "可旋轉鍵的數目" #~ msgid "Ignore Atom" #~ msgstr "忽略原子" #~ msgid "Fix Atom" #~ msgstr "固定原子" #~ msgid "Fix Atom X" #~ msgstr "固定原子 X" #~ msgid "Fix Atom Y" #~ msgstr "固定原子 Y" #~ msgid "Fix Atom Z" #~ msgstr "固定原子 Z" #~ msgid "Torsion angle" #~ msgstr "扭轉角度" #~ msgid "Save" #~ msgstr "儲存" #~ msgid "Load" #~ msgstr "載入" #~ msgid "Cartesian" #~ msgstr "笛卡耳 (直角座標)" #~ msgid "All" #~ msgstr "全部" #~ msgid "File Import..." #~ msgstr "匯入檔案..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "嘗試著去理解鍵嗎?" #~ msgid "Setup Force Field" #~ msgstr "建立力場" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "步驟數" #~ msgid "Algorithm" #~ msgstr "演算法" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix (alpha 螺旋)" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet (beta 平版)" #~ msgid "Pi Helix" #~ msgstr "Pi 螺旋" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "殘基的數目:" #~ msgid "Dipole Moment (D):" #~ msgstr "偶極距 (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "進階" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray 匯出" #~ msgid "Select..." #~ msgstr "選取..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "使用全景抗鋸齒化" #~ msgid "Antialias" #~ msgstr "平滑化/反鋸齒" #~ msgid "Set the background color to be transparent" #~ msgstr "將背景顏色設為透明" #~ msgid "Alpha transparency" #~ msgstr "Alpha 透明" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "直接使用 POV-Ray 命令列呈現此分子" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "在完成呈現後, 保持 POV-Ray 的來源" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "呈現後, 保持 POV-Ray 的來源" #~ msgid "Path:" #~ msgstr "路徑\"" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "計算..." #~ msgid "Basics" #~ msgstr "基本" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "為了您資訊上的目的，將加入您在輸入檔案的標題行所鍵入的文字." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarization consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "擴散函數" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "請盡可能同時執行. 這只可能對 SCF\n" #~ "波函數以及 DFT 的計算. Dalton 只支援目前版本的 MPI\n" #~ ", 而且務必正確的編譯及安裝.\n" #~ "當執行 \"dalton\" 腳本時, 節點的數目將被設 \"-N#\" 選項." #~ msgid "Parallel" #~ msgstr "平行" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid 規格" #~ msgid "Partitioning Scheme:" #~ msgstr "分割圖:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (原始的)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid 品質" #~ msgid "coarse" #~ msgstr "粗糙的" #~ msgid "normal" #~ msgstr "一般" #~ msgid "fine" #~ msgstr "精細" #~ msgid "ultrafine" #~ msgstr "極精細" #~ msgid "Radial Scheme:" #~ msgstr "放射狀圖:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "顯示所有的作用" #~ msgid "Property:" #~ msgstr "性質" #~ msgid "Polarizability" #~ msgstr "極化性" #~ msgid "Frequency Dependent" #~ msgstr "頻率相依性" #~ msgid "No. excitations:" #~ msgstr "激發數:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "進階設定" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "系統" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "其他" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D 重原子極化函數:" #~ msgid "Read" #~ msgstr "讀取" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP 種類:" #~ msgid "Default" #~ msgstr "預設" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "鞍點" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "放射過度 mom" #~ msgid "Spin Orbit" #~ msgstr "自旋軌道" #~ msgid "Finite Electric Field" #~ msgstr "有限電場" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "全局最佳化" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO 最佳化" #~ msgid "Raman Intensities" #~ msgstr "拉曼強度" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF 種類:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec 種類:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: 線性化的 CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "除錯" #~ msgid "Molecule Charge:" #~ msgstr "分子電荷:" #~ msgid "Run Type:" #~ msgstr "Run 種類:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "坐標軸種類:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "分鐘" #~ msgid "Hours" #~ msgstr "小時" #~ msgid "Days" #~ msgstr "天" #~ msgid "Weeks" #~ msgstr "週" #~ msgid "Years" #~ msgstr "年" #~ msgid "Millenia" #~ msgstr "千年" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "記憶體：" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalization Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "迴圈" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "下一個值" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO 已存檔 (DICTNRY)" #~ msgid "Skip" #~ msgstr "略過" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "選轉 Alpha 及 Beta 軌域" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (英國版本)" #~ msgid "Solvate with Water" #~ msgstr "與進行溶媒合作用" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "產生 UHF 自然軌域" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater 交換 + VWN 相關性" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "計算 MP2 的特性" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "使用定域軌域" #~ msgid "# of Core Electrons:" #~ msgstr "內層電子數:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "數字" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "置換大小" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimization" #~ msgid "Quadratic Approximation" #~ msgstr "二次逼近" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimization" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK 輸入" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "由 Avogadro 產生 GAMESS-UK 輸入" #~ msgid "Transition State Search" #~ msgstr "過渡狀態搜尋" #~ msgid "Basis:" #~ msgstr "基礎:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "Gaussian Input" #~ msgstr "輸入 Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "標準" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "檢查點:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (簡潔的)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO 輸入" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro 版本:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet 四重" #~ msgid "Quintet" #~ msgstr "Quintet 五重" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem 輸入" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem 輸入" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "載入 Shaders (幕後工程師)" #~ msgid "Shader Name:" #~ msgstr "Shader 名稱:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader (頂點著色器):" #~ msgid "Fragment Shader:" #~ msgstr "片段 Shader:" #~ msgid "Assign Shader" #~ msgstr "指定 Shader" #~ msgid "Display Type:" #~ msgstr "展示種類:" #~ msgid "Font:" #~ msgstr "字形:" #~ msgid "Change Font..." #~ msgstr "改變字形:" #~ msgid "New..." #~ msgstr "新增..." #~ msgid "Rename..." #~ msgstr "重新命名..." #~ msgid "&Schemes:" #~ msgstr "方案:" #~ msgid "&DPI:" #~ msgstr "DPI:" #~ msgid "&Width:" #~ msgstr "寬度:" #~ msgid "&Height" #~ msgstr "高" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "將字形大小最適化, 以取代特定值" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "自動調整字型大小" #~ msgid "Spectra Tab" #~ msgstr "光譜標記" #~ msgid "&Gaussian Width:" #~ msgstr "Gaussian 寬度:" #~ msgid "&Label peaks" #~ msgstr "標示 peaks (訊號峰)" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength 種類:" #~ msgid "Energy units:" #~ msgstr "能量單位:" #~ msgid "Density units" #~ msgstr "密度單位" #~ msgid "Fermi Energy: " #~ msgstr "費米能: " #~ msgid "States / Cell" #~ msgstr "狀態 / 晶格" #~ msgid "States / Atom" #~ msgstr "狀態 / 原子" #~ msgid "States / Valence electron" #~ msgstr "狀態 / 價電子" #~ msgid "Fermi energy at zero" #~ msgstr "費米能為零" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "顯示 integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Y 軸單位:" #~ msgid "Scaling Type:" #~ msgstr "縮放種類:" #~ msgid "Relative" #~ msgstr "相對" #~ msgid "Laser Wavenumber:" #~ msgstr "雷射波數:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian 寬度:" #~ msgid "Reset &Plot Axes" #~ msgstr "重設圖形的軸" #~ msgid "Label Peaks:" #~ msgstr "標示 peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "分子振動" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "活性 (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "顯示光譜..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "較高的頻率將呈現較快的活動" #~ msgid "Animation speed set by frequency" #~ msgstr "依頻率設定動畫速度" #~ msgid "Display force &vectors" #~ msgstr "顯示力與向量" #~ msgid "&Normalize displacements" #~ msgstr "位移標準化" #~ msgid "&Recalculate All" #~ msgstr "全部重新計算" #~ msgid "Default &Quality:" #~ msgstr "預設品質：" #~ msgid "Show occupied orbitals first" #~ msgstr "優先顯示已填入的軌域" #~ msgid "Surface Type:" #~ msgstr "Surface 種類:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "低" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "中" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "高" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "極高" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value (等曲面截斷值)" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "顯示的種類" #~ msgid "New Display" #~ msgstr "新的顯示" #~ msgid "Advanced..." #~ msgstr "進階..." #~ msgid "Display visual cues" #~ msgstr "顯示視覺提示" #~ msgid "Python Settings" #~ msgstr "Python 設定" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix 編輯器" OpenChemistry-avogadrolibs-ceb949f/pyproject.toml000066400000000000000000000041511516317240700224070ustar00rootroot00000000000000[build-system] requires = ["scikit-build-core>=0.10", "pybind11", "setuptools_scm>=8"] build-backend = "scikit_build_core.build" [project] name = "avogadro" dynamic = ["version"] description = "Avogadro provides analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas." readme = "README.md" license = "BSD-3-Clause" requires-python = ">=3.11" dependencies = ["numpy>=2.0"] authors = [ { name = "Avogadro / OpenChemistry Developers" }, ] classifiers = [ "Programming Language :: Python", "Programming Language :: C++", "Development Status :: 5 - Production/Stable", "Intended Audience :: Developers", "Intended Audience :: Education", "Intended Audience :: Science/Research", "Topic :: Scientific/Engineering", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics", "Topic :: Scientific/Engineering :: Visualization", "Topic :: Scientific/Engineering :: Information Analysis", "Topic :: Software Development :: Libraries", "Operating System :: Microsoft :: Windows", "Operating System :: Unix", "Operating System :: MacOS", ] [project.urls] Documentation = "https://avogadro.cc" Funding = "https://github.com/sponsors/OpenChemistry" Source = "https://github.com/OpenChemistry/avogadrolibs" Tracker = "https://github.com/OpenChemistry/avogadrolibs/issues" Forum = "https://discuss.avogadro.cc" [tool.scikit-build] build.verbose = true cmake.define.USE_SPGLIB = "FALSE" cmake.define.USE_OPENGL = "FALSE" cmake.define.USE_QT = "FALSE" cmake.define.USE_MMTF = "FALSE" cmake.define.USE_PYTHON = "TRUE" cmake.define.USE_HDF5 = "FALSE" cmake.define.USE_LIBARCHIVE = "FALSE" cmake.define.USE_LIBMSYM = "FALSE" cmake.define.PYTHON_WHEEL_BUILD = "TRUE" cmake.define.INSTALL_RUNTIME_DIR = "avogadro" cmake.define.INSTALL_LIBRARY_DIR = "avogadro" cmake.define.INSTALL_ARCHIVE_DIR = "avogadro" [tool.scikit-build.metadata.version] provider = "scikit_build_core.metadata.setuptools_scm" [tool.setuptools_scm] fallback_version = "2.0.0" [tool.cibuildwheel] build-verbosity = "1" OpenChemistry-avogadrolibs-ceb949f/python/000077500000000000000000000000001516317240700210135ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/python/CMakeLists.txt000066400000000000000000000043171516317240700235600ustar00rootroot00000000000000cmake_minimum_required(VERSION 3.24 FATAL_ERROR) if (NOT TARGET Avogadro::Core) find_package(AvogadroLibs REQUIRED) endif() find_package(Python COMPONENTS Interpreter Development) find_package(pybind11 CONFIG REQUIRED) set(_python_module_install_dir "avogadro") # SKBUILD is set for binary wheel if (NOT SKBUILD) execute_process(COMMAND "${Python_EXECUTABLE}" -c [=[ import os import sysconfig print(sysconfig.get_path(name='platlib', vars={'platbase': ''}).lstrip(os.sep), end='') # this prints e.g. 'lib/pythonX.Y/site-packages' on a Linux machine, # which is relative so that CMake `file(INSTALL)` prepends ${CMAKE_INSTALL_PREFIX} ]=] OUTPUT_VARIABLE PYTHON_LIBDIR ) set(_python_module_install_dir "${PYTHON_LIBDIR}/avogadro") endif() set(CMAKE_MODULE_LINKER_FLAGS "") # Core pybind11_add_module(avogadrocorepython core.cpp basisset.cpp cube.cpp molecule.cpp ) set_target_properties(avogadrocorepython PROPERTIES OUTPUT_NAME core) target_link_libraries(avogadrocorepython PRIVATE Avogadro::Core pybind11::module ) install(TARGETS avogadrocorepython LIBRARY COMPONENT python DESTINATION "${_python_module_install_dir}") # IO pybind11_add_module(avogadroiopython io.cpp) set_target_properties(avogadroiopython PROPERTIES OUTPUT_NAME io) target_link_libraries(avogadroiopython PRIVATE Avogadro::IO Avogadro::QuantumIO pybind11::module ) install(TARGETS avogadroiopython LIBRARY COMPONENT python DESTINATION "${_python_module_install_dir}") # Set the RPATH so the dependent libraries can be found in the wheel. if(APPLE) set(_rpath_value "@loader_path") elseif(UNIX) set(_rpath_value "$ORIGIN") endif() if (NOT WIN32) set_target_properties(avogadrocorepython avogadroiopython PROPERTIES INSTALL_RPATH ${_rpath_value}) endif() # Install the python files. FILE(GLOB PY_SRCS "avogadro/*.py") install(FILES ${PY_SRCS} COMPONENT python DESTINATION "${_python_module_install_dir}") # Set the output directory so the python modules can be used from the build # tree. set_target_properties(avogadrocorepython avogadroiopython PROPERTIES ARCHIVE_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib/avogadro" LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib/avogadro" ) OpenChemistry-avogadrolibs-ceb949f/python/avogadro/000077500000000000000000000000001516317240700226155ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/python/avogadro/__init__.py000066400000000000000000000001431516317240700247240ustar00rootroot00000000000000from . import cjson from . import connect from . import core from . import energy from . import io OpenChemistry-avogadrolibs-ceb949f/python/avogadro/cjson.py000066400000000000000000000066151516317240700243130ustar00rootroot00000000000000""" /****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-clause BSD License, (the "License"). ******************************************************************************/ """ import json class cjson: """ This class is intended to read and write cjson (chemical json) files and help manipulate them (e.g., change coordinates, elements, etc.) The cjson format is a JSON format for chemical information. It is intended to be a common exchange and storage format for chemical information that is both human and machine readable. It is intended to be easily extended to support new features and data types. More information and the schema can be found at: https://github.com/OpenChemistry/chemicaljson """ def __init__(self): pass def __from_cjson(self, filePath): """Use to read cjson formats by converting them to python dictionaries""" with open(filePath, "r") as cjsonFile: py_dict_data = json.load(cjsonFile) return py_dict_data def __to_cjson(self, cjson_dict_file): """It converts python dictionaries to cjson format""" cjsonData = json.dumps(cjson_dict_file, indent=4) return cjsonData def get_atoms_coords(self, filePath): """ It helps to get the co-ordinates of individual elements/atoms in the format [ x co-ordinate y co-ordinate z co-ordinate Atomic Number of Element ] """ data = self.__from_cjson(filePath) coords = data["atoms"]["coords"]["3d"] elements = data["atoms"]["elements"]["number"] element_coords = [ (*coords[i * 3 : (i + 1) * 3], elements[i]) for i in range(0, int(len(coords) / 3)) ] cjson_dict = {"element-coordinates": element_coords} return self.__to_cjson(cjson_dict) def get_elements(self, filePath): """ returns all the elements present in cjson file """ data = self.__from_cjson(filePath) elements = data["atoms"]["elements"]["number"] return elements def get_coordinates(self, filePath): """ returns the coordinate array """ data = self.__from_cjson(filePath) coords = data["atoms"]["coords"]["3d"] return coords def set_atoms_coordinates(self, filePath, coords_array): """ it updates the coordinates array in cjson file """ data = self.__from_cjson(filePath) data["atoms"]["coords"]["3d"] = coords_array return self.__to_cjson(data) def set_elements(self, filePath, elements_array): """ It sets all the elements present in the cjson file where elements are set/recognized by their atomic numbers """ data = self.__from_cjson(filePath) data["atoms"]["elements"]["number"] = elements_array return self.__to_cjson(data) def set_coordinates(self, filePath, coords_array): """ It helps to set all coordinates of the cjson file where coordinates of all elements can be changed by an input array of coords_array """ data = self.__from_cjson(filePath) data["atoms"]["coords"]["3d"] = coords_array return self.__to_cjson(data) OpenChemistry-avogadrolibs-ceb949f/python/avogadro/connect.py000077500000000000000000000057341516317240700246340ustar00rootroot00000000000000""" /****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-clause BSD License, (the "License"). ******************************************************************************/ """ import json import os import socket import struct import sys import tempfile class connect: """ Send JSON-RPC requests to Avogadro through a named pipe. This class is intended to be used by external scripts that are run on the same machine as Avogadro. The named pipe is created by Avogadro and is named "avogadro". If it does not exist, Avogadro is not running. """ def __init__(self, name="avogadro"): """ Connect to the local named pipe :param name: The name of the named pipe. """ # create socket and connect try: if os.name == "nt": self.sock = open("//./pipe/" + name, "w+b", 0) else: self.sock.connect(tempfile.gettempdir() + "/" + name) self.sock = socket.socket(socket.AF_UNIX, socket.SOCK_STREAM) except Exception as exception: print("error while connecting: " + str(exception)) print("Is Avogadro running?") def __json(self, method, params={}): """ Send a JSON-RPC request to the named pipe. :param method: The JSON-RPC request method. Send a message to the named pipe :param file: file corresponding to method. """ if method == "receive_message": size = 1024 if os.name == "nt": packet = self.sock.read(size) else: packet = self.sock.recv(size) try: return json.loads(str(packet[4:])) except Exception as exception: print("error: " + str(exception)) return {} else: msg = { "jsonrpc": "2.0", "id": 0, "method": method, "params": params, } json_msg = json.dumps(msg) size = len(json_msg) header = struct.pack(">I", size) packet = header + json_msg.encode("ascii") if os.name == "nt": self.sock.write(packet) self.sock.seek(0) else: self.sock.send(packet) def open_file(self, file): """Opens file""" # param: file is filename input by the user in string method = "openFile" params = {"filename": file} self.__json(method, params) self.__json("receive_message") def save_graphic(self, file): """Save Graphic""" method = "saveGraphic" params = {"filename": file} self.__json(method, params) self.__json("receive_message") def close(self): """Close the socket to the named pipe""" self.sock.close() OpenChemistry-avogadrolibs-ceb949f/python/avogadro/energy.py000066400000000000000000000527301516317240700244670ustar00rootroot00000000000000""" /****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-clause BSD License, (the "License"). ******************************************************************************/ """ from __future__ import annotations from dataclasses import dataclass import struct from typing import TYPE_CHECKING import numpy as np if TYPE_CHECKING: from typing import BinaryIO, Optional, Tuple import numpy.typing as npt MAGIC = b"AVB1" VERSION = 1 HEADER = struct.Struct("<4sHHII") FLAG_REQUEST_GRADIENT = 0x0001 FLAG_BATCH_MODE = 0x0002 FLAG_REQUEST_ENERGY_AND_GRADIENT = 0x0004 FLAG_REQUEST_HESSIAN = 0x0008 FLAG_RESPONSE_ERROR = 0x8000 VALID_REQUEST_FLAGS = ( FLAG_REQUEST_GRADIENT | FLAG_BATCH_MODE | FLAG_REQUEST_ENERGY_AND_GRADIENT | FLAG_REQUEST_HESSIAN ) class BinaryProtocolError(RuntimeError): pass @dataclass(slots=True, frozen=True) class Frame: """One binary-v1 frame.""" flags: int atom_count: int payload: bytes @dataclass(slots=True, frozen=True) class CoordinateFrame: """Decoded coordinate request payload.""" flags: int atom_count: int coords: "npt.NDArray" @property def wants_gradient(self) -> bool: return wants_gradient(self.flags) @property def wants_energy_and_gradient(self) -> bool: return (self.flags & FLAG_REQUEST_ENERGY_AND_GRADIENT) != 0 @property def wants_hessian(self) -> bool: return (self.flags & FLAG_REQUEST_HESSIAN) != 0 @property def is_batch(self) -> bool: return is_batch_mode(self.flags) @property def batch_size(self) -> int: if self.coords.ndim == 2: return 1 return self.coords.shape[0] def read_exact(stream: "BinaryIO", nbytes: int) -> "Optional[bytes]": """ Read exactly nbytes from stream. Returns None only for clean EOF before any bytes are read. Raises BinaryProtocolError on truncated reads. """ data = bytearray() while len(data) < nbytes: chunk = stream.read(nbytes - len(data)) if not chunk: if not data: return None raise BinaryProtocolError( f"Unexpected EOF while reading {nbytes} bytes " f"(got {len(data)} bytes)." ) data.extend(chunk) return bytes(data) def _parse_header(raw_header: bytes) -> "Tuple[int, int, int]": if len(raw_header) != HEADER.size: raise BinaryProtocolError("Invalid header size.") magic, version, flags, atom_count, payload_bytes = HEADER.unpack(raw_header) if magic != MAGIC: raise BinaryProtocolError("Invalid binary-v1 magic.") if version != VERSION: raise BinaryProtocolError("Unsupported binary-v1 version.") return flags, atom_count, payload_bytes def _pack_header(flags: int, atom_count: int, payload_bytes: int) -> bytes: return HEADER.pack(MAGIC, VERSION, flags, atom_count, payload_bytes) def _parse_single_coords(payload: bytes, atom_count: int) -> "npt.NDArray": """Parse a single-frame coordinate payload into a numpy array of shape (N, 3).""" expected_size = atom_count * 3 * 8 if len(payload) != expected_size: raise BinaryProtocolError( f"Single-frame payload size mismatch: " f"expected {expected_size} bytes, got {len(payload)}" ) return np.frombuffer(payload, dtype=" "Tuple[int, npt.NDArray]": """ Parse a batch coordinate payload into (batch_size, coords). Returns: (batch_size, coords) where coords has shape (batch_size, atom_count, 3) """ if len(payload) < 4: raise BinaryProtocolError("Batch payload too short for batch_size field") batch_size = struct.unpack(" None: unknown = flags & ~VALID_REQUEST_FLAGS if unknown: raise BinaryProtocolError(f"Unsupported request flag bits: 0x{unknown:04x}") def read_frame( stream: "BinaryIO", expected_atom_count: "Optional[int]" = None ) -> "Optional[Frame]": """ Read one binary-v1 frame. Returns: Frame or None on clean EOF. """ raw_header = read_exact(stream, HEADER.size) if raw_header is None: return None flags, atom_count, payload_bytes = _parse_header(raw_header) if expected_atom_count is not None and atom_count != expected_atom_count: raise BinaryProtocolError("Atom count mismatch.") payload = read_exact(stream, payload_bytes) if payload is None: raise BinaryProtocolError("Unexpected EOF while reading payload.") return Frame(flags=flags, atom_count=atom_count, payload=payload) def write_frame( stream: "BinaryIO", flags: int, atom_count: int, payload: bytes = b"", flush: bool = True, ) -> None: """ Write one binary-v1 frame. The payload can be bytes-like. This primitive is intentionally generic so future protocols can layer batched/typed messages above it. """ data = memoryview(payload) header = _pack_header(flags, atom_count, data.nbytes) stream.write(header) stream.write(data) if flush: stream.flush() def _write_frame_parts( stream: "BinaryIO", flags: int, atom_count: int, parts: "Tuple[object, ...]", flush: bool = True, ) -> None: """ Write one frame from multiple payload parts to avoid temporary large copies. """ views = [memoryview(part) for part in parts] payload_bytes = sum(view.nbytes for view in views) header = _pack_header(flags, atom_count, payload_bytes) stream.write(header) for view in views: stream.write(view) if flush: stream.flush() def wants_gradient(flags: int) -> bool: return (flags & FLAG_REQUEST_GRADIENT) != 0 def is_batch_mode(flags: int) -> bool: """Check if FLAG_BATCH_MODE is set in the request flags.""" return (flags & FLAG_BATCH_MODE) != 0 def _write_single_energy( stream: "BinaryIO", atom_count: int, energy: float, flush: bool = True ) -> None: payload = struct.pack(" "npt.NDArray": """Validate and reshape gradient to contiguous (atom_count, 3) LE array.""" grad = np.asarray(gradient, dtype=np.float64) if grad.shape == (atom_count * 3,): grad = grad.reshape(atom_count, 3) if grad.shape != (atom_count, 3): raise BinaryProtocolError("Gradient shape must be (atom_count, 3).") return np.ascontiguousarray(grad, dtype=" None: grad = _normalize_gradient(gradient, atom_count) _write_frame_parts(stream, 0, atom_count, (grad,), flush=flush) def _write_single_energy_and_gradient( stream: "BinaryIO", atom_count: int, energy: float, gradient: "npt.NDArray", flush: bool = True, ) -> None: grad = _normalize_gradient(gradient, atom_count) energy_bytes = struct.pack(" None: dim = atom_count * 3 hess = np.asarray(hessian, dtype=np.float64) if hess.shape != (dim, dim): raise BinaryProtocolError( f"Hessian shape must be ({dim}, {dim}), got {hess.shape}." ) # Send row-major (C order) hess = np.ascontiguousarray(hess, dtype=" None: payload = str(message).encode("utf-8") write_frame(stream, FLAG_RESPONSE_ERROR, atom_count, payload, flush=flush) def _write_batch_energies( stream: "BinaryIO", atom_count: int, energies: "npt.NDArray", flush: bool = True ) -> None: """ Write a batched energy response. The payload structure is: - batch_size: uint32 LE (4 bytes) - energies: batch_size doubles (LE) """ energies_arr = np.asarray(energies, dtype=" None: """ Write a batched gradient response. The payload structure is: - batch_size: uint32 LE (4 bytes) - gradients: batch_size x atom_count x 3 doubles (LE) """ grad = np.asarray(gradients, dtype=" "Optional[CoordinateFrame]": """ Read coordinates from stream (single-frame or batched). Args: stream: binary input stream expected_atom_count: expected number of atoms (validates if provided) Returns: CoordinateFrame or None on EOF. CoordinateFrame.coords has shape: - (atom_count, 3) for single-frame - (batch_size, atom_count, 3) for batch mode Raises: BinaryProtocolError: on protocol violations or invalid data """ frame = read_frame(stream, expected_atom_count) if frame is None: return None _validate_request_flags(frame.flags) if is_batch_mode(frame.flags): _, coords = _parse_batch_coords(frame.payload, frame.atom_count) else: coords = _parse_single_coords(frame.payload, frame.atom_count) return CoordinateFrame( flags=frame.flags, atom_count=frame.atom_count, coords=coords ) class EnergyServer: """ Context manager for Avogadro "energy server" main loop using a binary protocol. Simplifies script implementation by handling the request/response protocol and providing convenient methods for sending results. Args: input_stream: binary input stream output_stream: binary output stream atom_count: number of atoms (to track size of requests/responses) auto_flush: automatically flush output stream (default: True) Example (basic usage): with EnergyServer(sys.stdin.buffer, sys.stdout.buffer, atom_count) as server: for request in server.requests(): if request.wants_gradient: gradient = compute_gradient(request.coords) request.send_gradient(gradient) else: energy = compute_energy(request.coords) request.send_energy(energy) Example (with batching): with EnergyServer(sys.stdin.buffer, sys.stdout.buffer, atom_count) as server: for request in server.requests(): # request.coords is (N, 3) or (batch, N, 3) automatically if request.is_batch: energies = model.compute_batch(request.coords) request.send_energies(energies) else: energy = model.compute_single(request.coords) request.send_energy(energy) """ __slots__ = ("input", "output", "atom_count", "auto_flush") def __init__( self, input_stream: "BinaryIO", output_stream: "BinaryIO", atom_count: int, auto_flush: bool = True, ): self.input = input_stream self.output = output_stream self.atom_count = atom_count self.auto_flush = auto_flush def __enter__(self) -> "EnergyServer": return self def __exit__(self, *args) -> None: try: self.output.flush() except Exception: pass def requests(self): """ Iterate over incoming coordinate requests. Yields Request objects with: - coords: numpy array (atom_count, 3) or (batch_size, atom_count, 3) - flags: request flags - wants_gradient, wants_energy_and_gradient, wants_hessian: bool - is_batch: bool property - send_energy / send_energies / send_gradient / send_gradients - send_energy_and_gradient(energy, gradient): fused response - send_hessian(hessian): Hessian matrix response - send_error(message): send error response """ while True: request_frame = read_coordinates(self.input, self.atom_count) if request_frame is None: break yield Request(self, request_frame) class Request: """ Represents a single energy/gradient request. This is a lightweight wrapper around the request data that provides convenient methods for sending responses. Args: server: EnergyServer instance frame: CoordinateFrame """ __slots__ = ("_server", "flags", "coords", "_sent") def __init__(self, server: EnergyServer, frame: CoordinateFrame): self._server = server self.flags = frame.flags self.coords = frame.coords self._sent = False if frame.atom_count != server.atom_count: raise BinaryProtocolError( f"Request atom_count mismatch: expected {server.atom_count}, " f"got {frame.atom_count}" ) if self.is_batch: if self.coords.ndim != 3: raise BinaryProtocolError( "Batch request coords must have shape (batch, atom_count, 3)." ) if self.coords.shape[1:] != (self._server.atom_count, 3): raise BinaryProtocolError( f"Batch coords shape mismatch: expected (batch, " f"{self._server.atom_count}, 3), got {self.coords.shape}" ) else: if self.coords.shape != (self._server.atom_count, 3): raise BinaryProtocolError( f"Single coords shape mismatch: expected " f"({self._server.atom_count}, 3), got {self.coords.shape}" ) @property def wants_gradient(self) -> bool: """True if gradient is requested (FLAG_REQUEST_GRADIENT set).""" return wants_gradient(self.flags) @property def wants_energy_and_gradient(self) -> bool: """True if fused energy+gradient is requested.""" return (self.flags & FLAG_REQUEST_ENERGY_AND_GRADIENT) != 0 @property def wants_hessian(self) -> bool: """True if Hessian is requested (FLAG_REQUEST_HESSIAN set).""" return (self.flags & FLAG_REQUEST_HESSIAN) != 0 @property def is_batch(self) -> bool: """True if this is a batch request (FLAG_BATCH_MODE set).""" return is_batch_mode(self.flags) @property def batch_size(self) -> int: """ Batch size (1 for single-frame, >1 for batch mode). Returns: 1 if single-frame, or coords.shape[0] if batch """ if self.coords.ndim == 2: return 1 return self.coords.shape[0] def _check_unsent(self) -> None: if self._sent: raise BinaryProtocolError("A response was already sent for this request.") def _mark_sent(self) -> None: self._check_unsent() self._sent = True def send(self, result, gradient=None) -> None: """ Send response (automatically detects request type). For energy-only or gradient-only requests, pass the single result. For fused energy+gradient, pass (energy, gradient) or use keyword arg. For hessian, pass the hessian matrix. """ if self.wants_hessian: self.send_hessian(result) elif self.wants_energy_and_gradient: if gradient is not None: self.send_energy_and_gradient(result, gradient) else: raise BinaryProtocolError( "Fused energy+gradient request requires both energy and " "gradient arguments: send(energy, gradient)." ) elif self.is_batch: if self.wants_gradient: self.send_gradients(result) else: self.send_energies(result) elif self.wants_gradient: self.send_gradient(result) else: self.send_energy(result) def send_energy(self, energy: float) -> None: """Send single-geometry energy response.""" if self.is_batch: raise BinaryProtocolError( "send_energy() is invalid for batch requests; use send_energies()." ) if self.wants_gradient: raise BinaryProtocolError( "send_energy() is invalid when a gradient was requested." ) self._mark_sent() _write_single_energy( self._server.output, self._server.atom_count, energy, flush=self._server.auto_flush, ) def send_energies(self, energies: "npt.NDArray") -> None: """Send batched energy response.""" if not self.is_batch: raise BinaryProtocolError( "send_energies() is invalid for single requests; use send_energy()." ) if self.wants_gradient: raise BinaryProtocolError( "send_energies() is invalid when gradients were requested." ) self._mark_sent() _write_batch_energies( self._server.output, self._server.atom_count, energies, flush=self._server.auto_flush, ) def send_gradient(self, gradient: "npt.NDArray") -> None: """Send single-geometry gradient response.""" if self.is_batch: raise BinaryProtocolError( "send_gradient() is invalid for batch requests; use send_gradients()." ) if not self.wants_gradient: raise BinaryProtocolError( "send_gradient() is invalid when only energy was requested." ) self._mark_sent() _write_single_gradient( self._server.output, self._server.atom_count, gradient, flush=self._server.auto_flush, ) def send_energy_and_gradient( self, energy: float, gradient: "npt.NDArray" ) -> None: """Send fused energy + gradient response.""" if not self.wants_energy_and_gradient: raise BinaryProtocolError( "send_energy_and_gradient() is only valid for " "FLAG_REQUEST_ENERGY_AND_GRADIENT requests." ) self._mark_sent() _write_single_energy_and_gradient( self._server.output, self._server.atom_count, energy, gradient, flush=self._server.auto_flush, ) def send_hessian(self, hessian: "npt.NDArray") -> None: """Send Hessian matrix response (shape 3N x 3N).""" if not self.wants_hessian: raise BinaryProtocolError( "send_hessian() is only valid for FLAG_REQUEST_HESSIAN requests." ) self._mark_sent() _write_single_hessian( self._server.output, self._server.atom_count, hessian, flush=self._server.auto_flush, ) def send_gradients(self, gradients: "npt.NDArray") -> None: """Send batched gradient response.""" if not self.is_batch: raise BinaryProtocolError( "send_gradients() is invalid for single requests; use send_gradient()." ) if not self.wants_gradient: raise BinaryProtocolError( "send_gradients() is invalid when only energies were requested." ) self._mark_sent() _write_batch_gradients( self._server.output, self._server.atom_count, gradients, flush=self._server.auto_flush, ) def send_error(self, message: str) -> None: """Send error response.""" self._mark_sent() _write_error( self._server.output, self._server.atom_count, message, flush=self._server.auto_flush, ) OpenChemistry-avogadrolibs-ceb949f/python/basisset.cpp000066400000000000000000000135051516317240700233400ustar00rootroot00000000000000#include "exporters.h" #include #include #include #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; void exportBasisSet(py::module_& m) { // --- BasisSet --- auto basisSetClass = py::class_(m, "BasisSet"); py::enum_(basisSetClass, "ElectronType") .value("Paired", BasisSet::Paired) .value("Alpha", BasisSet::Alpha) .value("Beta", BasisSet::Beta) .export_values(); basisSetClass .def("electron_count", &BasisSet::electronCount, py::arg("type") = BasisSet::Paired, "The number of electrons") .def("molecular_orbital_count", &BasisSet::molecularOrbitalCount, py::arg("type") = BasisSet::Paired, "The number of molecular orbitals") .def("homo", &BasisSet::homo, py::arg("type") = BasisSet::Paired, "The HOMO orbital index") .def("lumo", &BasisSet::lumo, py::arg("type") = BasisSet::Paired, "The LUMO orbital index") .def("is_valid", &BasisSet::isValid, "Check if the basis set is valid") .def_property_readonly("name", &BasisSet::name, "The basis set name") .def_property_readonly("theory_name", &BasisSet::theoryName, "The theory/method name") .def("symmetry_labels", &BasisSet::symmetryLabels, py::arg("type") = BasisSet::Paired, "Orbital symmetry labels") .def( "mo_energy", [](BasisSet& self, BasisSet::ElectronType type) -> py::array_t { auto& energies = self.moEnergy(type); if (energies.empty()) return py::array_t(0); return py::array_t({ static_cast(energies.size()) }, { static_cast(sizeof(double)) }, energies.data(), py::cast(self)); }, py::arg("type") = BasisSet::Paired, "MO energies as a numpy array (Hartrees)") .def( "mo_occupancy", [](BasisSet& self, BasisSet::ElectronType type) -> py::array_t { auto& occ = self.moOccupancy(type); if (occ.empty()) return py::array_t(0); return py::array_t( { static_cast(occ.size()) }, { static_cast(sizeof(uint8_t)) }, occ.data(), py::cast(self)); }, py::arg("type") = BasisSet::Paired, "MO occupancies as a numpy array"); // --- ScfType enum (namespace level) --- py::enum_(m, "ScfType") .value("Rhf", Rhf) .value("Uhf", Uhf) .value("Rohf", Rohf) .value("Unknown", Unknown) .export_values(); // --- GaussianSet --- py::class_(m, "GaussianSet") .def_property_readonly("scf_type", &GaussianSet::scfType, "The SCF type") .def_property_readonly("functional_name", &GaussianSet::functionalName, "DFT functional name (empty if none)") .def( "mo_matrix", [](GaussianSet& self, BasisSet::ElectronType type) -> MatrixX { return self.moMatrix(type); }, py::arg("type") = BasisSet::Paired, "MO coefficient matrix as a numpy array") .def_property_readonly( "density_matrix", [](GaussianSet& self) -> MatrixX { return self.densityMatrix(); }, "SCF density matrix as a numpy array") .def_property_readonly( "spin_density_matrix", [](GaussianSet& self) -> MatrixX { return self.spinDensityMatrix(); }, "Spin density matrix as a numpy array") .def("molecular_orbital_count", &GaussianSet::molecularOrbitalCount, py::arg("type") = BasisSet::Paired) .def("is_valid", &GaussianSet::isValid); // --- GaussianSetTools --- // Cube-filling overloads bool (GaussianSetTools::*calcMO_cube)(Cube&, int) const = &GaussianSetTools::calculateMolecularOrbital; bool (GaussianSetTools::*calcED_cube)(Cube&) const = &GaussianSetTools::calculateElectronDensity; bool (GaussianSetTools::*calcSD_cube)(Cube&) const = &GaussianSetTools::calculateSpinDensity; // Point-evaluation overloads double (GaussianSetTools::*calcMO_point)(const Vector3&, int) const = &GaussianSetTools::calculateMolecularOrbital; double (GaussianSetTools::*calcED_point)(const Vector3&) const = &GaussianSetTools::calculateElectronDensity; double (GaussianSetTools::*calcSD_point)(const Vector3&) const = &GaussianSetTools::calculateSpinDensity; py::class_(m, "GaussianSetTools") .def(py::init(), py::keep_alive<1, 2>(), "Create tools from a molecule with a Gaussian basis set") .def("set_electron_type", &GaussianSetTools::setElectronType, py::arg("type"), "Set the electron type (Alpha, Beta, or Paired)") .def("is_valid", &GaussianSetTools::isValid, "Check if the basis set is valid for calculations") // Cube-filling .def("calculate_molecular_orbital", calcMO_cube, py::arg("cube"), py::arg("mo_number"), "Calculate a molecular orbital and fill the cube") .def("calculate_electron_density", calcED_cube, py::arg("cube"), "Calculate the electron density and fill the cube") .def("calculate_spin_density", calcSD_cube, py::arg("cube"), "Calculate the spin density and fill the cube") // Point evaluation .def("calculate_molecular_orbital", calcMO_point, py::arg("position"), py::arg("mo_number"), "Calculate the MO value at a 3D position") .def("calculate_electron_density", calcED_point, py::arg("position"), "Calculate the electron density at a 3D position") .def("calculate_spin_density", calcSD_point, py::arg("position"), "Calculate the spin density at a 3D position"); } OpenChemistry-avogadrolibs-ceb949f/python/core.cpp000066400000000000000000000056311516317240700224540ustar00rootroot00000000000000#include "exporters.h" #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; PYBIND11_MODULE(core, m) { m.doc() = "AvogadroCore Python binding"; // --- Atom --- using atomBase = AtomTemplate; py::class_(m, "atomBase"); py::class_(m, "Atom") .def_property_readonly("index", &Atom::index, "Index in the molecule") .def_property("atomic_number", &Atom::atomicNumber, &Atom::setAtomicNumber, "The atomic number") .def_property("position", &Atom::position3d, &Atom::setPosition3d, "The 3D position of the atom") .def_property("formal_charge", &Atom::formalCharge, &Atom::setFormalCharge, "The formal charge of the atom") .def_property("is_selected", &Atom::selected, &Atom::setSelected, "Whether the atom is selected") .def("is_valid", &Atom::isValid, "Check if the object is valid"); // --- Bond --- using bondBase = BondTemplate; py::class_(m, "bondBase"); py::class_(m, "Bond") .def_property_readonly("index", &Bond::index, "Index in the molecule") .def_property("order", &Bond::order, &Bond::setOrder, "The order of the bond (single = 1, double = 2, etc)") .def("is_valid", &Bond::isValid, "Check if the object is valid") .def("atom1", &Bond::atom1, "The first atom") .def("atom2", &Bond::atom2, "The second atom"); // --- UnitCell --- py::class_(m, "UnitCell") .def(py::init<>()) .def_property_readonly("a", &UnitCell::a, "The a lattice parameter") .def_property_readonly("b", &UnitCell::b, "The b lattice parameter") .def_property_readonly("c", &UnitCell::c, "The c lattice parameter") .def_property_readonly("alpha", &UnitCell::alpha, "The alpha lattice parameter") .def_property_readonly("beta", &UnitCell::beta, "The beta lattice parameter") .def_property_readonly("gamma", &UnitCell::gamma, "The gamma lattice parameter") .def_property_readonly("volume", &UnitCell::volume, "The volume of the unit cell") .def("set_cell_parameters", &UnitCell::setCellParameters, "Set the unit cell parameters a b c alpha beta gamma") .def_property("cell_matrix", &UnitCell::cellMatrix, &UnitCell::setCellMatrix, "The unit cell vector matrix") .def("distance", &UnitCell::distance, "Calculate the distance between two points in the unit cell"); // Register types from other files. Order matters: BasisSet and Cube must // be registered before Molecule (which references them via properties). exportBasisSet(m); exportCube(m); exportMolecule(m); } OpenChemistry-avogadrolibs-ceb949f/python/cube.cpp000066400000000000000000000126221516317240700224400ustar00rootroot00000000000000#include "exporters.h" #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; void exportCube(py::module_& m) { auto cubeClass = py::class_(m, "Cube"); py::enum_(cubeClass, "Type") .value("VdW", Cube::VdW) .value("SolventAccessible", Cube::SolventAccessible) .value("SolventExcluded", Cube::SolventExcluded) .value("ESP", Cube::ESP) .value("ElectronDensity", Cube::ElectronDensity) .value("SpinDensity", Cube::SpinDensity) .value("MO", Cube::MO) .value("FromFile", Cube::FromFile) .value("none", Cube::None) .export_values(); // setLimits overloads bool (Cube::*setLimits_mmP)(const Vector3&, const Vector3&, const Vector3i&) = &Cube::setLimits; bool (Cube::*setLimits_mmS)(const Vector3&, const Vector3&, float) = &Cube::setLimits; bool (Cube::*setLimits_mDS)(const Vector3&, const Vector3i&, float) = &Cube::setLimits; bool (Cube::*setLimits_mDV)(const Vector3&, const Vector3i&, const Vector3&) = &Cube::setLimits; bool (Cube::*setLimits_C)(const Cube&) = &Cube::setLimits; bool (Cube::*setLimits_MSP)(const Molecule&, float, float) = &Cube::setLimits; // value overloads float (Cube::*value_ijk)(int, int, int) const = &Cube::value; float (Cube::*value_pos)(const Vector3&) const = &Cube::value; // setValue overloads bool (Cube::*setValue_ijk)(unsigned int, unsigned int, unsigned int, float) = &Cube::setValue; bool (Cube::*setValue_idx)(unsigned int, float) = &Cube::setValue; cubeClass // Data as 3D numpy array (zero-copy view) .def_property( "data", [](Cube& self) -> py::array_t { auto* vec = self.data(); if (vec->empty()) return py::array_t(); return py::array_t( { static_cast(self.nx()), static_cast(self.ny()), static_cast(self.nz()) }, { static_cast(self.ny() * self.nz() * sizeof(float)), static_cast(self.nz() * sizeof(float)), static_cast(sizeof(float)) }, vec->data(), py::cast(self)); }, [](Cube& self, py::array_t arr) { auto buf = arr.request(); auto* ptr = static_cast(buf.ptr); self.setData(std::vector(ptr, ptr + buf.size)); }, "Cube data as a numpy array of shape (nx, ny, nz)") // Spatial properties .def_property_readonly("min", &Cube::min, "The minimum corner of the cube") .def_property_readonly("max", &Cube::max, "The maximum corner of the cube") .def_property_readonly("spacing", &Cube::spacing, "The grid spacing") .def_property_readonly("dimensions", &Cube::dimensions, "The grid dimensions (nx, ny, nz)") .def_property_readonly("nx", &Cube::nx, "Number of points in x") .def_property_readonly("ny", &Cube::ny, "Number of points in y") .def_property_readonly("nz", &Cube::nz, "Number of points in z") // Value range .def_property_readonly("min_value", &Cube::minValue, "The minimum data value") .def_property_readonly("max_value", &Cube::maxValue, "The maximum data value") // Name and type .def_property("name", &Cube::name, &Cube::setName, "The cube name") .def_property("cube_type", &Cube::cubeType, &Cube::setCubeType, "The cube type") // setLimits overloads .def("set_limits", setLimits_mmP, py::arg("min"), py::arg("max"), py::arg("points"), "Set limits from min/max corners and number of points") .def("set_limits", setLimits_mmS, py::arg("min"), py::arg("max"), py::arg("spacing"), "Set limits from min/max corners and spacing") .def("set_limits", setLimits_mDS, py::arg("min"), py::arg("dim"), py::arg("spacing"), "Set limits from min corner, dimensions and spacing") .def("set_limits", setLimits_mDV, py::arg("min"), py::arg("dim"), py::arg("spacing_vector"), "Set limits from min corner, dimensions and spacing vector") .def("set_limits", setLimits_C, py::arg("cube"), "Copy limits from another cube") .def("set_limits", setLimits_MSP, py::arg("molecule"), py::arg("spacing"), py::arg("padding"), "Set limits based on molecule geometry") // Value access .def("value", value_ijk, py::arg("i"), py::arg("j"), py::arg("k"), "Get value at grid indices (i, j, k)") .def("value", value_pos, py::arg("pos"), "Get interpolated value at a 3D position") .def("set_value", setValue_ijk, py::arg("i"), py::arg("j"), py::arg("k"), py::arg("value"), "Set value at grid indices") .def("set_value", setValue_idx, py::arg("index"), py::arg("value"), "Set value at linear index") .def("fill", &Cube::fill, py::arg("value"), "Fill the entire cube with a value") // Index/position conversion .def("closest_index", &Cube::closestIndex, py::arg("pos"), "Get the linear index closest to a 3D position") .def("index_vector", &Cube::indexVector, py::arg("pos"), "Get the (i, j, k) index closest to a 3D position") .def("position", &Cube::position, py::arg("index"), "Get the 3D position of a linear index"); } OpenChemistry-avogadrolibs-ceb949f/python/exporters.h000066400000000000000000000003561516317240700232230ustar00rootroot00000000000000#ifndef AVOGADRO_PYTHON_EXPORTERS_H #define AVOGADRO_PYTHON_EXPORTERS_H #include void exportCube(pybind11::module_& m); void exportBasisSet(pybind11::module_& m); void exportMolecule(pybind11::module_& m); #endif OpenChemistry-avogadrolibs-ceb949f/python/io.cpp000066400000000000000000000071541516317240700221350ustar00rootroot00000000000000#include #include #include #include #include #include #include #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; using namespace Avogadro::Io; using namespace Avogadro::QuantumIO; namespace { // Add a proxy class for Python that exposes the file format manager singleton. class ffm { public: ffm() : m_ffm(FileFormatManager::instance()) {} bool readFile(Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const { return m_ffm.readFile(molecule, fileName, fileExtension, options); } bool writeFile(const Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const { return m_ffm.writeFile(molecule, fileName, fileExtension, options); } bool readString(Core::Molecule& molecule, const std::string& string, const std::string& fileExtension, const std::string& options = std::string()) const { return m_ffm.readString(molecule, string, fileExtension, options); } std::string writeString(const Molecule& mol, const std::string& ext, const std::string& options = std::string()) { std::string fileStr; bool ok = m_ffm.writeString(mol, fileStr, ext, options); if (!ok) fileStr = "Error: " + FileFormatManager::instance().error(); return fileStr; } private: FileFormatManager& m_ffm; }; } // namespace PYBIND11_MODULE(io, m) { m.doc() = "AvogadroIo Python binding"; /// Add the quantum IO formats, we should probably move them over soon, but /// get things working for now... Io::FileFormatManager::registerFormat(new GAMESSUSOutput); Io::FileFormatManager::registerFormat(new GaussianFchk); Io::FileFormatManager::registerFormat(new GaussianCube); Io::FileFormatManager::registerFormat(new MoldenFile); Io::FileFormatManager::registerFormat(new MopacAux); Io::FileFormatManager::registerFormat(new NWChemJson); Io::FileFormatManager::registerFormat(new NWChemLog); Io::FileFormatManager::registerFormat(new ORCAOutput); /// This class uses a singleton pattern, make it accessible through Python. py::class_(m, "FileFormatManager") .def(py::init<>()) .def("read_file", &ffm::readFile, "Read in a molecule from the supplied file path", py::arg("molecule"), py::arg("file_name"), py::arg("file_extension") = std::string(), py::arg("options") = std::string()) .def("write_file", &ffm::writeFile, "Write the molecule to the supplied file path", py::arg("molecule"), py::arg("file_name"), py::arg("file_extension") = std::string(), py::arg("options") = std::string()) .def("read_string", &ffm::readString, "Read in a molecule from the supplied string", py::arg("molecule"), py::arg("string"), py::arg("file_extension"), py::arg("options") = std::string()) .def("write_string", &ffm::writeString, "Write a molecule to the supplied string", py::arg("mol"), py::arg("file_extension"), py::arg("options") = std::string()); } OpenChemistry-avogadrolibs-ceb949f/python/molecule.cpp000066400000000000000000000274131516317240700233330ustar00rootroot00000000000000#include "exporters.h" #include #include #include #include #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; // Ensure std::pair has no padding for zero-copy numpy views. static_assert(sizeof(std::pair) == 2 * sizeof(Index), "std::pair must be contiguous for numpy view"); void exportMolecule(py::module_& m) { // Function pointer overloads Index (Molecule::*atomCount0)() const = &Molecule::atomCount; Index (Molecule::*atomCount1)(unsigned char) const = &Molecule::atomCount; Bond (Molecule::*addBond1)(Index, Index, unsigned char) = &Molecule::addBond; Bond (Molecule::*addBond2)(const Atom&, const Atom&, unsigned char) = &Molecule::addBond; Bond (Molecule::*bond0)(Index) const = &Molecule::bond; Bond (Molecule::*bond1)(const Atom&, const Atom&) const = &Molecule::bond; Bond (Molecule::*bond2)(Index, Index) const = &Molecule::bond; Cube* (Molecule::*cube0)(Index) = &Molecule::cube; UnitCell* (Molecule::*unitCell0)() = &Molecule::unitCell; py::class_(m, "Molecule") .def(py::init<>()) // --- Per-atom/bond access --- .def("add_atom", static_cast(&Molecule::addAtom), "Add an atom") .def("atom_count", atomCount0, "The number of atoms") .def("atom_count", atomCount1, "The number of atoms with the supplied atomic number") .def("atom", &Molecule::atom, "The atom at the specified index") .def("add_bond", addBond1, "Add a new bond", py::arg("a1"), py::arg("a2"), py::arg("order") = 1) .def("add_bond", addBond2, "Add a new bond", py::arg("a1"), py::arg("a2"), py::arg("order") = 1) .def("bond_count", &Molecule::bondCount, "The number of bonds") .def("bond", bond0, "The bond at the specified index") .def("bond", bond1, "The bond between the specified atoms") .def("bond", bond2, "The bond between the specified atoms") .def("add_cube", &Molecule::addCube, py::return_value_policy::reference_internal, "Add a new cube") .def("cube_count", &Molecule::cubeCount, "The number of cubes") .def("cube", cube0, py::return_value_policy::reference_internal, "The cube at the specified index") // --- Geometry --- .def_property_readonly("radius", &Molecule::radius, "The radius of the molecule") .def_property_readonly("center", &Molecule::centerOfGeometry, "The center of geometry of the molecule") .def_property_readonly("mass_center", &Molecule::centerOfMass, "The center of mass of the molecule") .def_property_readonly("unit_cell", unitCell0, py::return_value_policy::reference_internal, "The unit cell of the molecule, if defined") .def("has_custom_elements", &Molecule::hasCustomElements, "Returns true if the molecule contains any custom elements") .def("formula", &Molecule::formula, "The chemical formula of the molecule", py::arg("delimiter") = "", py::arg("show_counts_over") = 1) .def("mass", &Molecule::mass, "The mass of the molecule") // --- Bulk array properties (numpy, zero-copy read) --- .def_property( "positions", [](const Molecule& self) -> py::array_t { const auto& pos = self.atomPositions3d(); if (pos.empty()) return py::array_t(std::vector{ 0, 3 }); return py::array_t( std::vector{ static_cast(pos.size()), 3 }, { static_cast(3 * sizeof(double)), static_cast(sizeof(double)) }, reinterpret_cast(pos.constData()), py::cast(self)); }, [](Molecule& self, py::array_t arr) { auto buf = arr.request(); if (buf.ndim != 2 || buf.shape[1] != 3) throw py::value_error("Expected shape (N, 3)"); Core::Array positions(buf.shape[0]); std::memcpy(positions.data(), buf.ptr, buf.shape[0] * 3 * sizeof(double)); self.setAtomPositions3d(positions); }, "Atomic positions as an (N, 3) numpy array") .def_property( "atomic_numbers", [](const Molecule& self) -> py::array_t { const auto& nums = self.atomicNumbers(); if (nums.empty()) return py::array_t(0); return py::array_t( { static_cast(nums.size()) }, { static_cast(sizeof(uint8_t)) }, reinterpret_cast(nums.constData()), py::cast(self)); }, [](Molecule& self, py::array_t arr) { auto buf = arr.request(); Core::Array nums(buf.shape[0]); std::memcpy(nums.data(), buf.ptr, buf.shape[0]); self.setAtomicNumbers(nums); }, "Atomic numbers as a uint8 numpy array") .def_property( "formal_charges", [](const Molecule& self) -> py::array_t { const auto& charges = self.formalCharges(); if (charges.empty()) return py::array_t(0); return py::array_t( { static_cast(charges.size()) }, { static_cast(sizeof(int8_t)) }, reinterpret_cast(charges.constData()), py::cast(self)); }, [](Molecule& self, py::array_t arr) { auto buf = arr.request(); Core::Array charges(buf.shape[0]); std::memcpy(charges.data(), buf.ptr, buf.shape[0]); self.setFormalCharges(charges); }, "Formal charges as an int8 numpy array") .def_property_readonly( "bond_pairs", [](const Molecule& self) -> py::array_t { const auto& pairs = self.bondPairs(); if (pairs.empty()) return py::array_t(std::vector{ 0, 2 }); return py::array_t( std::vector{ static_cast(pairs.size()), 2 }, { static_cast(2 * sizeof(size_t)), static_cast(sizeof(size_t)) }, reinterpret_cast(pairs.constData()), py::cast(self)); }, "Bond pairs as an (M, 2) numpy array of atom indices") .def_property_readonly( "bond_orders", [](const Molecule& self) -> py::array_t { const auto& orders = self.bondOrders(); if (orders.empty()) return py::array_t(0); return py::array_t( { static_cast(orders.size()) }, { static_cast(sizeof(uint8_t)) }, reinterpret_cast(orders.constData()), py::cast(self)); }, "Bond orders as a uint8 numpy array") // --- Partial charges --- .def("partial_charges", &Molecule::partialCharges, py::arg("type"), "Get partial charges by type name") .def("set_partial_charges", &Molecule::setPartialCharges, py::arg("type"), py::arg("value"), "Set partial charges by type name") .def( "partial_charge_types", [](const Molecule& self) { auto types = self.partialChargeTypes(); return std::vector(types.begin(), types.end()); }, "List of available partial charge types") // --- Charge and spin --- .def_property_readonly("total_charge", &Molecule::totalCharge, "Total molecular charge") .def_property_readonly("total_spin_multiplicity", &Molecule::totalSpinMultiplicity, "Total spin multiplicity") // --- Bond perception --- .def("perceive_bonds_simple", &Molecule::perceiveBondsSimple, py::arg("tolerance") = 0.45, py::arg("min_distance") = 0.32, "Perceive bonds from distances") .def("perceive_bond_orders", &Molecule::perceiveBondOrders, "Perceive bond orders from geometry") // --- Basis set --- .def_property_readonly( "basis_set", [](Molecule& self) -> BasisSet* { return self.basisSet(); }, py::return_value_policy::reference_internal, "The basis set, if available") // --- Cubes list --- .def_property_readonly( "cubes", [](Molecule& self) { return self.cubes(); }, py::return_value_policy::reference_internal, "List of all cubes") // --- Force vectors --- .def_property_readonly( "force_vectors", [](const Molecule& self) -> py::array_t { const auto& forces = self.forceVectors(); if (forces.empty()) return py::array_t(std::vector{ 0, 3 }); return py::array_t( std::vector{ static_cast(forces.size()), 3 }, { static_cast(3 * sizeof(double)), static_cast(sizeof(double)) }, reinterpret_cast(forces.constData()), py::cast(self)); }, "Force vectors as an (N, 3) numpy array") // --- Vibration data (returns by value, must copy) --- .def_property_readonly( "vibration_frequencies", [](const Molecule& self) -> py::array_t { auto freq = self.vibrationFrequencies(); if (freq.empty()) return py::array_t(0); py::array_t result(freq.size()); std::memcpy(result.mutable_data(), freq.constData(), freq.size() * sizeof(double)); return result; }, "Vibrational frequencies as a numpy array (cm^-1)") .def_property_readonly( "vibration_ir_intensities", [](const Molecule& self) -> py::array_t { auto ir = self.vibrationIRIntensities(); if (ir.empty()) return py::array_t(0); py::array_t result(ir.size()); std::memcpy(result.mutable_data(), ir.constData(), ir.size() * sizeof(double)); return result; }, "IR intensities as a numpy array") .def_property_readonly( "vibration_raman_intensities", [](const Molecule& self) -> py::array_t { auto raman = self.vibrationRamanIntensities(); if (raman.empty()) return py::array_t(0); py::array_t result(raman.size()); std::memcpy(result.mutable_data(), raman.constData(), raman.size() * sizeof(double)); return result; }, "Raman intensities as a numpy array") .def( "vibration_lx", [](const Molecule& self, int mode) -> py::array_t { auto lx = self.vibrationLx(mode); if (lx.empty()) return py::array_t(std::vector{ 0, 3 }); py::array_t result( std::vector{ static_cast(lx.size()), 3 }); std::memcpy(result.mutable_data(), reinterpret_cast(lx.constData()), lx.size() * 3 * sizeof(double)); return result; }, py::arg("mode"), "Displacement vectors for a vibration mode as an (N, 3) numpy array") // --- Spectra data --- .def("spectra", &Molecule::spectra, py::arg("name"), "Get spectra data by name") .def("set_spectra", &Molecule::setSpectra, py::arg("name"), py::arg("value"), "Set spectra data by name") .def( "spectra_types", [](const Molecule& self) { auto types = self.spectraTypes(); return std::vector(types.begin(), types.end()); }, "List of available spectra types"); } OpenChemistry-avogadrolibs-ceb949f/scripts/000077500000000000000000000000001516317240700211615ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/scripts/AppImage.sh000066400000000000000000000004561516317240700232050ustar00rootroot00000000000000#!/bin/bash # The purpose of this custom AppRun script is # to export Open Babel environment variables # before launching the application HERE="$(dirname "$(readlink -f "${0}")")" export LC_NUMERIC=C export LD_LIBRARY_PATH="${HERE}/usr/lib:${LD_LIBRARY_PATH}" exec "${HERE}/usr/bin/avogadro2" "$@" OpenChemistry-avogadrolibs-ceb949f/scripts/copy-default.py000066400000000000000000000024651516317240700241360ustar00rootroot00000000000000#!/usr/bin/env python3 """ Fill empty msgstr entries in PO files with msgid values. Usage: python copy-default.py [po-file] [--backup] Requires: pip install polib """ import sys from pathlib import Path try: import polib except ImportError: print("Error: polib module not found.", file=sys.stderr) print("Install it with: pip install polib", file=sys.stderr) sys.exit(1) def fill_empty_translations(filepath): """Fill empty msgstr with msgid values.""" path = Path(filepath) if not path.exists(): print(f"Error: File '{filepath}' not found.", file=sys.stderr) return False po = polib.pofile(filepath) filled_count = 0 for entry in po: # Skip the header entry if entry.msgid == '': continue # If msgstr is empty, fill with msgid if entry.msgstr == '': entry.msgstr = entry.msgid filled_count += 1 po.save(filepath) print(f"Processed: {path.name}") print(f"Filled {filled_count} empty msgstr entries.") return True if __name__ == '__main__': if len(sys.argv) < 2: print("Usage: python copy-default.py [po-file]") print("\nOptions:") sys.exit(1) po_file = sys.argv[1] success = fill_empty_translations(po_file) sys.exit(0 if success else 1) OpenChemistry-avogadrolibs-ceb949f/scripts/extract-messages.sh000077500000000000000000000061751516317240700250100ustar00rootroot00000000000000#!/bin/sh BASEDIR="avogadro/" # root of translatable sources PROJECT="avogadrolibs" # project name PACKAGE="Avogadro" # user-readable package name # user-readable version MAJORVERSION=`grep 'set(AvogadroLibs_VERSION_MAJOR' CMakeLists.txt | cut -f 2 -d '"'` MINORVERSION=`grep 'set(AvogadroLibs_VERSION_MINOR' CMakeLists.txt | cut -f 2 -d '"'` PATCHVERSION=`grep 'set(AvogadroLibs_VERSION_PATCH' CMakeLists.txt | cut -f 2 -d '"'` VERSION="${MAJORVERSION}.${MINORVERSION}.${PATCHVERSION}" BUGADDR="avogadro-devel@lists.sourceforge.net" # MSGID-Bugs WDIR=`pwd` # working dir I18NDIR="i18n/" # i18n dir echo "Preparing rc files" cd ${BASEDIR} # we use simple sorting to make sure the lines do not jump around too much from system to system find . -name '*.rc' -o -name '*.ui' -o -name '*.kcfg' | grep -v 'test' | grep -v 'example' | sort > ${WDIR}/rcfiles.list cat ${WDIR}/rcfiles.list | xargs ${WDIR}/scripts/extractrc.sh > ${WDIR}/rc.cpp # additional string for KAboutData echo 'i18nc("NAME OF TRANSLATORS","Your names");' >> ${WDIR}/rc.cpp echo 'i18nc("EMAIL OF TRANSLATORS","Your emails");' >> ${WDIR}/rc.cpp cd ${WDIR} echo "Done preparing rc files" echo "Extracting messages" cd ${BASEDIR} # see above on sorting find . -name '*.cpp' -o -name '*.h' -o -name '*.c' | grep -v 'test' | grep -v "example" | sort > ${WDIR}/infiles.list echo "rc.cpp" >> ${WDIR}/infiles.list cd ${WDIR} xgettext --from-code=UTF-8 -C -T --qt -kde -ci18n -ki18n:1 -ki18nc:1c,2 -ki18np:1,2 -ki18ncp:1c,2,3 -ktr2i18n:1 \ -kI18N_NOOP:1 -kI18N_NOOP2:1c,2 -kaliasLocale -kki18n:1 -kki18nc:1c,2 -kki18np:1,2 -kki18ncp:1c,2,3 \ -ktrUtf8:1,2c -ktr:1,1t -ktr:1,2c,2t -ktr:1,1,2c,3t -ktrUtf8:1 \ --package-name=${PACKAGE} --package-version=${VERSION} \ --msgid-bugs-address="${BUGADDR}" --foreign-user --copyright-holder="The Avogadro Project" \ --check=ellipsis-unicode \ --files-from=infiles.list -D ${BASEDIR} -D ${WDIR} -o ${PROJECT}.pot || { echo "error while calling xgettext. aborting."; exit 1; } echo "Done extracting messages" # Replace some boilerplate strings sed -e "s/SOME DESCRIPTIVE TITLE/Translations for the Avogadro molecular builder/" <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot year=`date "+%Y"` sed -e "s/Copyright (C) YEAR/Copyright (C) 2006-$year/" <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e 's/as the PACKAGE package/as the Avogadro package/' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e 's/^#. i18n: .\//#: /' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e '/^#: rc.cpp/ d' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e 's/rc\.cpp//' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot mv ${PROJECT}.pot ${I18NDIR} #cd ${I18NDIR} #echo "Merging translations" #catalogs=`find . -name '*.po'` #for cat in $catalogs; do # # remove any \r escapes # sed -e 's/\\r//' <$cat >$cat.new # mv $cat.new $cat # echo $cat # msgmerge -o $cat.new $cat ${PROJECT}.pot # mv $cat.new $cat # msgmerge -U $cat ${PROJECT}.pot #done #echo "Done merging translations" echo "Cleaning up" cd ${WDIR} rm rcfiles.list rm infiles.list rm rc.cpp echo "Done" OpenChemistry-avogadrolibs-ceb949f/scripts/extractrc.sh000077500000000000000000000314131516317240700235210ustar00rootroot00000000000000#! /usr/bin/env perl ### TODO: other copyrights, license? # Copyright (c) 2004 Richard Evans sub usage { warn <<"EOF"; extractrc [flags] filenames This script extracts messages from designer (.ui) and XMLGUI (.rc) files and writes on standard output (usually redirected to rc.cpp) the equivalent i18n() calls so that xgettext can parse them. --tag=name : Also extract the tag name(s). Repeat the flag to specify multiple names: --tag=tag_one --tag=tag_two --tag-group=group : Use a group of tags - uses 'default' if omitted. Valid groups are: @{[TAG_GROUPS()]} --context=name : Give i18n calls a context name: i18nc("name", ...) --lines : Include source line numbers in comments (deprecated, it is switched on by default now) --cstart=chars : Start of to-EOL style comments in output, defaults to // --language=lang : Create i18n calls appropriate for KDE bindings in the given language. Currently known languages: C++ (default), Python --ignore-no-input : Do not warn if there were no filenames specified --help|? : Display this summary EOF exit; } ########################################################################################### use strict; use warnings; use Getopt::Long; use Data::Dumper; use constant TAG_GROUP => { default => "[tT][eE][xX][tT]|title|string|whatsthis|tooltip|label", koffice => "Example|GroupName|Text|Comment|Syntax|TypeName", none => "", }; use constant TAG_GROUPS => join ", ", map "'$_'", sort keys %{&TAG_GROUP}; # Specification to extract nice element-context for strings. use constant ECTX_SPEC => { # Data structure: extension => {tag => [ctxlevel, [attribute, ...]], ...} # Order of attributes determines their order in the extracted comment. "ui" => { "widget" => [10, ["class", "name"]], "item" => [15, []], "property" => [20, ["name"]], "attribute" => [20, ["name"]], }, "rc" => { "Menu" => [10, ["name"]], "ToolBar" => [10, ["name"]], }, "kcfg" => { "group" => [10, ["name"]], "entry" => [20, ["name"]], "whatsthis" => [30, []], "tooltip" => [30, []], "label" => [30, []], }, }; # Specification to exclude strings by trailing section of element-context. use constant ECTX_EXCLUDE => [ # Data structure: [[tag, attribute, attrvalue], [...]] # Empty ("") attribute means all elements with given tag, # empty attrvalue means element with given tag and attribute of any value. [["widget", "class", "KFontComboBox"], ["item", "", ""], ["property", "", ""]], [["widget", "class", "KPushButton"], ["attribute", "name", "buttonGroup"]], [["widget", "class", "QRadioButton"], ["attribute", "name", "buttonGroup"]], ]; # The parts between the tags of the extensions will be copied # verbatim my %EXTENSION_VERBATIM_TAGS = ( "kcfg" => [ "code" ], ); # Add attribute lists as hashes, for membership checks. for my $ext ( keys %{&ECTX_SPEC} ) { for my $tag ( keys %{ECTX_SPEC->{$ext}} ) { my $arr = ECTX_SPEC->{$ext}{$tag}[1]; ECTX_SPEC->{$ext}{$tag}[2] = {map {$_ => 1} @{$arr}}; } } ########################################################################################### # Add options here as necessary - perldoc Getopt::Long for details on GetOptions GetOptions ( "tag=s" => \my @opt_extra_tags, "tag-group=s" => \my $opt_tag_group, "context=s" => \my $opt_context, # I18N context "lines" => \my $opt_lines, "cstart=s" => \my $opt_cstart, "language=s" => \my $opt_language, "ignore-no-input" => \my $opt_ignore_no_input, "help|?" => \&usage ); unless( @ARGV ) { warn "No filename specified" unless $opt_ignore_no_input; exit; } $opt_tag_group ||= "default"; die "Unknown tag group: '$opt_tag_group', should be one of " . TAG_GROUPS unless exists TAG_GROUP->{$opt_tag_group}; my $tags = TAG_GROUP->{$opt_tag_group}; my $extra_tags = join "", map "|" . quotemeta, @opt_extra_tags; my $text_string = qr/($tags$extra_tags)( [^>]*)?>/; # Precompile regexp my $cstart = $opt_cstart; # no default, selected by language if not given my $language = $opt_language || "C++"; my $ectx_known_exts = join "|", keys %{&ECTX_SPEC}; ########################################################################################### # Escape characters in string exactly like uic does. sub escape_like_uic ($) { my $text = shift; $text =~ s/<//g; $text =~ s/&/&/g; $text =~ s/"/"/g; $text =~ s/\\/\\\\/g; # escape \ $text =~ s/\"/\\\"/g; # escape " $text =~ s/\r//g; # remove CR (Carriage Return) $text =~ s/\n/\\n\"\n\"/g; # escape LF (Line Feed). uic also change the code line at a LF, we do not do that. return $text; } ########################################################################################### sub dummy_call_infix { my ($cstart, $stend, $ctxt, $text, @cmnts) = @_; for my $cmnt (@cmnts) { print qq|$cstart $cmnt\n|; } if (defined $text) { $text = escape_like_uic($text); if (defined $ctxt) { $ctxt = escape_like_uic($ctxt); print qq|i18nc("$ctxt", "$text")$stend\n|; } else { print qq|i18n("$text")$stend\n|; } } } my %dummy_calls = ( "C++" => sub { dummy_call_infix($cstart || "//", ";", @_); }, "Python" => sub { dummy_call_infix($cstart || "#", "", @_); }, ); die "unknown language '$language'" if not defined $dummy_calls{$language}; my $dummy_call = $dummy_calls{$language}; # Program start proper - NB $. is the current line number for my $file_name ( @ARGV ) { my $fh; unless ( open $fh, "<", $file_name ) { # warn "Failed to open: '$file_name': $!"; next; } # Ready element-context extraction. my $ectx_ext; my $ectx_string; if ( $file_name =~ /\.($ectx_known_exts)(\.(in|cmake))?$/ ) { $ectx_ext = $1; my $ectx_tag_gr = join "|", keys %{ECTX_SPEC->{$ectx_ext}}; $ectx_string = qr/($ectx_tag_gr)( [^>]*)?>/; # precompile regexp } my $string = ""; my $in_text = 0; my $start_line_no = 0; my $in_skipped_prop = 0; my $tag = ""; my $attr = ""; my $context = ""; my $notr = ""; # Element-context data: [[level, tag, [[attribute, value], ...]], ...] # such that subarrays are ordered increasing by level. my @ectx = (); # All comments to pending dummy call. my @comments = (); while ( <$fh> ) { last if $. == 1 and $_ !~ /^(?:{$ectx_ext}{$tag} ) { my @atts; for my $ectx_att ( @{ECTX_SPEC->{$ectx_ext}{$tag}[1]} ) { if ( $attr and $attr =~ /\b$ectx_att\s*=\s*(["'])([^"']*?)\1/ ) { my $aval = $2; push @atts, [$ectx_att, $aval]; } } # Kill all tags in element-context with level higher or equal to this, # and add it to the end. my $clevel = ECTX_SPEC->{$ectx_ext}{$tag}[0]; for ( my $i = 0; $i < @ectx; ++$i ) { if ( $clevel <= $ectx[$i][0] ) { @ectx = @ectx[0 .. ($i - 1)]; last; } } push @ectx, [$clevel, $tag, [@atts]]; } if ( ($tag, $attr) = $string =~ /<$text_string/o ) { my ($attr_comment) = $attr =~ /\w*comment=\"([^\"]*)\"/ if $attr; $context = $attr_comment if $attr_comment; my ($attr_context) = $attr =~ /\w*context=\"([^\"]*)\"/ if $attr; $context = $attr_context if $attr_context; # It is unlikely that both attributes 'context' and 'comment' # will be present, but if so happens, 'context' has priority. my ($attr_notr) = $attr =~ /\bnotr=\"([^\"]*)\"/ if $attr; $notr = $attr_notr if $attr_notr; $string =~ s/^.*<$text_string//so; if ( not $attr or $attr !~ /\/ *$/ ) { $in_text = 1; $start_line_no = $.; } } else { $string = ""; } } next unless $in_text; next unless $string =~ /<\/$text_string/o; my $text = $string; $text =~ s/<\/$text_string.*$//o; if ( $text cmp "" ) { # See if the string should be excluded by trailing element-context. my $exclude_by_ectx = 0; my @rev_ectx = reverse @ectx; for my $ectx_tail (@{&ECTX_EXCLUDE}) { my @rev_ectx_tail = reverse @{$ectx_tail}; my $i = 0; $exclude_by_ectx = (@rev_ectx > 0 and @rev_ectx_tail > 0); while ($i < @rev_ectx and $i < @rev_ectx_tail) { my ($tag, $attr, $aval) = @{$rev_ectx_tail[$i]}; $exclude_by_ectx = (not $tag or ($tag eq $rev_ectx[$i][1])); if ($exclude_by_ectx and $attr) { $exclude_by_ectx = 0; for my $ectx_attr_aval (@{$rev_ectx[$i][2]}) { if ($attr eq $ectx_attr_aval->[0]) { $exclude_by_ectx = $aval ? $aval eq $ectx_attr_aval->[1] : 1; last; } } } last if not $exclude_by_ectx; ++$i; } last if $exclude_by_ectx; } if (($context and $context eq "KDE::DoNotExtract") or ($notr eq "true")) { push @comments, "Manually excluded message at $file_name line $."; } elsif ( $exclude_by_ectx ) { push @comments, "Automatically excluded message at $file_name line $."; } else { (my $norm_fname = $file_name) =~ s/^\.\///; push @comments, "i18n: file: $norm_fname:$."; if ( @ectx ) { # Format element-context. my @tag_gr; for my $tgr (reverse @ectx) { my @attr_gr; for my $agr ( @{$tgr->[2]} ) { #push @attr_gr, "$agr->[0]=$agr->[1]"; push @attr_gr, "$agr->[1]"; # no real need for attribute name } my $attr = join(", ", @attr_gr); push @tag_gr, "$tgr->[1] ($attr)" if $attr; push @tag_gr, "$tgr->[1]" if not $attr; } my $ectx_str = join ", ", @tag_gr; push @comments, "i18n: ectx: $ectx_str"; } push @comments, "xgettext: no-c-format" if $text =~ /%/o; $dummy_call->($context, $text, @comments); @comments = (); } } else { push @comments, "Skipped empty message at $file_name line $."; } $string =~ s/^.*<\/$text_string//o; $in_text = 0; # Text can be multiline in .ui files (possibly), but we warn about it in XMLGUI .rc files. warn "there is floating in: '$file_name'" if $. != $start_line_no and $file_name =~ /\.rc$/i; } close $fh or warn "Failed to close: '$file_name': $!"; die "parsing error in $file_name" if $in_text; if ($ectx_ext && exists $EXTENSION_VERBATIM_TAGS{$ectx_ext}) { unless ( open $fh, "<", $file_name ) { # warn "Failed to open: '$file_name': $!"; next; } while ( <$fh> ) { chomp; $string .= "\n" . $_; foreach $tag (@{ $EXTENSION_VERBATIM_TAGS{$ectx_ext} }) { if ($string =~ /<$tag>(.*)<\/$tag>/s) { # Add comment before any line that has an i18n substring in it. my @matched = split /\n/, $1; my $mlno = $.; (my $norm_fname = $file_name) =~ s/^\.\///; for my $mline (@matched) { # Assume verbatim code is in language given by --language. # Therefore format only comment, and write code line as-is. if ($mline =~ /i18n/) { $dummy_call->(undef, undef, ("i18n: file: $norm_fname:$mlno")); } print "$mline\n"; ++$mlno; } $string = ""; } } } close $fh or warn "Failed to close: '$file_name': $!"; } } OpenChemistry-avogadrolibs-ceb949f/scripts/getresdata.py000066400000000000000000000130631516317240700236610ustar00rootroot00000000000000#!/usr/bin/env python from __future__ import print_function import os import sys import requests from openbabel import pybel from openbabel import openbabel as ob # TODO: process Open Babel resdata.txt # if we can find certain non-standard residues mdLigands = [ "ASH", # Neutral ASP "CYX", # SS-bonded CYS "CYM", # Negative CYS "GLH", # Neutral GLU "HIP", # Positive HIS "HID", # Neutral HIS, proton HD1 present "HIE", # Neutral HIS, proton HE2 present "LYN", # Neutral LYS "TYM", # Negative TYR ] # the location of the LigandExpo list by count ligandURL = "http://ligand-expo.rcsb.org/dictionaries/cc-counts.tdd" # URL for the ideal geometry # e.g http://ligand-expo.rcsb.org/reports/H/HEM/HEM_ideal.pdb sdfTemplate = "http://ligand-expo.rcsb.org/reports/{}/{}/{}_ideal.sdf" # URL for the ideal geometry (PDB) pdbTemplate = "http://ligand-expo.rcsb.org/reports/{}/{}/{}_ideal.pdb" # save ligands with at least this # of occurrences ligandThresh = 500 # default ligand list ligands = [ # amino acids "ALA", "CYS", "ASP", "GLU", "PHE", "GLY", "HIS", "ILE", "LYS", "LEU", "MET", "ASN", "PRO", "GLN", "ARG", "SER", "THR", "VAL", "TRP", "TYR", # DNA nucleic "DA", "DC", "DG", "DT", "DI", # RNA nucleic "A", "C", "G", "U", "I", # misc "HEM", "HOH" ] # okay, we build up the list of ligands to fetch r = requests.get(ligandURL, stream=True) for line in r.iter_lines(decode_unicode=True): if 'count' in str(line): continue # skip first line name, count = line.split() if (int(count) < ligandThresh): # too rare, we'll skip the rest of the list break if str(name) not in ligands: ligands.append(str(name)) print( ''' #ifndef AVOGADRO_CORE_RESIDUE_DATA #define AVOGADRO_CORE_RESIDUE_DATA #include #include #include namespace Avogadro { namespace Core { class ResidueData { private: std::string m_residueName; std::map m_residueAtomNames; std::vector> m_residueSingleBonds; std::vector> m_residueDoubleBonds; public: ResidueData() {} ResidueData(std::string name, std::map atomNames, std::vector> singleBonds, std::vector> doubleBonds) { m_residueName = name; m_residueAtomNames = atomNames; m_residueSingleBonds = singleBonds; m_residueDoubleBonds = doubleBonds; } ResidueData(const ResidueData& other) { m_residueName = other.m_residueName; m_residueAtomNames = other.m_residueAtomNames; m_residueSingleBonds = other.m_residueSingleBonds; m_residueDoubleBonds = other.m_residueDoubleBonds; } ResidueData& operator=(ResidueData other) { using std::swap; swap(*this, other); return *this; } std::map residueAtoms() { return m_residueAtomNames; } std::vector> residueSingleBonds() { return m_residueSingleBonds; } std::vector> residueDoubleBonds() { return m_residueDoubleBonds; } }; ''' ) final_ligands = [] for ligand in ligands: sdf = requests.get(sdfTemplate.format(ligand[0], ligand, ligand)) # there *must* be a way to do this from a requests buffer, but this works with open('temp.sdf', 'wb') as handle: for block in sdf.iter_content(1024): handle.write(block) try: mol_sdf = next(pybel.readfile("sdf", 'temp.sdf')) except StopIteration: continue if len(mol_sdf.atoms) < 2: continue final_ligands.append(ligand) pdb = requests.get(pdbTemplate.format(ligand[0], ligand, ligand)) with open('temp.pdb', 'wb') as handle: for block in pdb.iter_content(1024): handle.write(block) try: mol_pdb = next(pybel.readfile("pdb", 'temp.pdb')) except StopIteration: continue atom_map = {} for i in range(len(mol_sdf.atoms)): idx = mol_sdf.atoms[i].idx atom = mol_pdb.atoms[i].OBAtom res = atom.GetResidue() # build up a map between atom index and atom ID atom_map[idx] = res.GetAtomID(atom).strip().rstrip(), atom.GetAtomicNum() # go through bonds single_bonds = [] double_bonds = [] for bond in ob.OBMolBondIter(mol_sdf.OBMol): begin = bond.GetBeginAtomIdx() end = bond.GetEndAtomIdx() if bond.GetBondOrder() == 2: double_bonds.append((atom_map[begin][0], atom_map[end][0])) elif bond.GetBondOrder() == 1: single_bonds.append((atom_map[begin][0], atom_map[end][0])) # print out the residue data print('ResidueData %sData("%s",' % (ligand, ligand)) print('// Atoms') print('{') for atom in list(atom_map.values())[:-1]: print('{ "%s", %d },' % (atom[0], atom[1]), end='') print('{"%s", %d }' % (atom[0], atom[1])) print('},') print('// Single Bonds') print('{') for bond in single_bonds[:-1]: print('{ "%s", "%s" },' % bond, end='') print('{ "%s", "%s" }' % single_bonds[-1]) print('},') print('// Double Bonds') print('{') if len(double_bonds): for bond in double_bonds[:-1]: print('{ "%s", "%s" },' % bond, end='') print('{ "%s", "%s" }' % double_bonds[-1]) print('}') print(');') print('''std::map residueDict = {''') # print the list of ligands for ligand in final_ligands: print('{ "%s", %sData },' % (ligand, ligand)) print(''' }; } } #endif ''' ) os.remove("temp.sdf") os.remove('temp.pdb') OpenChemistry-avogadrolibs-ceb949f/scripts/github-actions/000077500000000000000000000000001516317240700241015ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/scripts/github-actions/filter_sarif.py000066400000000000000000000113211516317240700271220ustar00rootroot00000000000000#!/usr/bin/env python # -*- coding: utf-8 -*- # From https://github.com/zbazztian/filter-sarif/blob/master/filter_sarif.py # Some modifications by Geoffrey Hutchison import argparse import json import re from globber import match def match_path_and_rule(path, rule, patterns): result = True for sign, file_pattern, rule_pattern in patterns: if match(rule_pattern, rule) and match(file_pattern, path): result = sign return result def parse_pattern(line): sep_char = ":" esc_char = "\\" file_pattern = "" rule_pattern = "" seen_separator = False sign = True # inclusion or exclusion pattern? uline = line if line: if line[0] == "-": sign = False uline = line[1:] elif line[0] == "+": uline = line[1:] i = 0 while i < len(uline): char = uline[i] i = i + 1 if char == sep_char: if seen_separator: raise Exception( 'Invalid pattern: "' + line + '" Contains more than one separator!' ) seen_separator = True continue if char == esc_char: next_char = uline[i] if (i < len(uline)) else None if next_char in ["+", "-", esc_char, sep_char]: i = i + 1 char = next_char if seen_separator: rule_pattern = rule_pattern + char else: file_pattern = file_pattern + char if not rule_pattern: rule_pattern = "**" return sign, file_pattern, rule_pattern def filter_sarif(args): if args.split_lines: tmp = [] for pattern in args.patterns: tmp = tmp + re.split("\r?\n", pattern) args.patterns = tmp args.patterns = [parse_pattern(pattern) for pattern in args.patterns if pattern] print("Given patterns:") for sign, file_pattern, rule_pattern in args.patterns: sign_text = "positive" if sign else "negative" print(f"files: {file_pattern} rules: {rule_pattern} ({sign_text})") with open(args.input, "r", encoding="UTF-8") as file: sarif = json.load(file) for run in sarif.get("runs", []): if run.get("results", []): new_results = [] for result in run["results"]: if result.get("locations", []): new_locations = [] for location in result["locations"]: # TODO: The uri field is optional. We might have to fetch the # actual uri from "artifacts" via "index" # (https://github.com/microsoft/sarif-tutorials/blob/main/docs/2-Basics.md) uri = ( location.get("physicalLocation", {}) .get("artifactLocation", {}) .get("uri", None) ) # TODO: The ruleId field is optional and potentially ambiguous. # We might have to fetch the actual ruleId from the rule metadata # via the ruleIndex field. # (https://github.com/microsoft/sarif-tutorials/blob/main/docs/2-Basics.md) rule_id = result["ruleId"] if uri is None or match_path_and_rule( uri, rule_id, args.patterns ): new_locations.append(location) result["locations"] = new_locations if new_locations: new_results.append(result) else: # locations array doesn't exist or is empty, so we can't match on anything # therefore, we include the result in the output new_results.append(result) run["results"] = new_results with open(args.output, "w", encoding="UTF-8") as file: json.dump(sarif, file, indent=args.indent) def main(): parser = argparse.ArgumentParser(prog="filter-sarif") parser.add_argument("--input", help="Input SARIF file", required=True) parser.add_argument("--output", help="Output SARIF file", required=True) parser.add_argument( "--split-lines", default=False, action="store_true", help="Split given patterns on newlines.", ) parser.add_argument( "--indent", default=None, type=int, help="Indentation level for JSON output." ) parser.add_argument("patterns", help="Inclusion and exclusion patterns.", nargs="+") def print_usage(): print(parser.format_usage()) args = parser.parse_args() filter_sarif(args) if __name__ == "__main__": main() OpenChemistry-avogadrolibs-ceb949f/scripts/github-actions/install.sh000066400000000000000000000010121516317240700260750ustar00rootroot00000000000000#!/usr/bin/env bash set -ev if [[ $RUNNER_OS == "Windows" ]]; then (cd /c/vcpkg && git pull origin master) vcpkg install eigen3 #git clone --recursive -b 3.4.0 --depth 1 https://gitlab.com/libeigen/eigen /c/eigen-34 #cd /c/eigen # mkdir build # cd build # cmake .. -DCMAKE_INSTALL_PREFIX=/c/eigen-34 -DBUILD_TESTING=OFF -DBUILD_BENCHMARKS=OFF -DEIGEN_BUILD_DOC=OFF # cmake --build . --target install elif [[ $RUNNER_OS == "macOS" ]]; then brew install eigen else ls -la fi OpenChemistry-avogadrolibs-ceb949f/scripts/github-actions/repair-linux.sh000066400000000000000000000006311516317240700270540ustar00rootroot00000000000000#!/usr/bin/env bash set -ev # This script is used to repair the Linux environment in GitHub Actions. if command -v apt-get >/dev/null; then apt-get -y install git libeigen3-dev elif command -v yum >/dev/null; then yum install -y git eigen3-devel elif command -v apk >/dev/null; then apk add --no-cache git eigen-dev else echo "Neither apt-get nor yum found. Cannot install dependencies." exit 1 fi OpenChemistry-avogadrolibs-ceb949f/scripts/github-actions/repair_command_linux.sh000066400000000000000000000012351516317240700306350ustar00rootroot00000000000000#!/usr/bin/env bash set -ev # FIXME: if the libraries are already inside the wheel, why do we have # to provide them to auditwheel again? It would be ideal if we could # avoid this script entirely. # We have to include the avogadro library in Linux's LD_LIBRARY_PATH, # or auditwheel won't work. These libraries are already in the wheel. WHEEL_DIR=/tmp/cibuildwheel/built_wheel WHEEL_PATH=$(find $WHEEL_DIR -name "*.whl" | xargs readlink -f) cd $WHEEL_DIR unzip $WHEEL_PATH LIBRARY_DIR=$WHEEL_DIR/avogadro export LD_LIBRARY_PATH=$LIBRARY_DIR:$LD_LIBRARY_PATH auditwheel repair -w /tmp/cibuildwheel/repaired_wheel $WHEEL_PATH rm -rf /tmp/cibuildwheel/built_wheel OpenChemistry-avogadrolibs-ceb949f/scripts/github-actions/simple_test.py000066400000000000000000000012641516317240700270060ustar00rootroot00000000000000import avogadro import faulthandler faulthandler.enable() ethane_xyz = '''8 Ethane H 1.18508 -0.00384 0.98752 C 0.75162 -0.02244 -0.02084 H 1.16693 0.83301 -0.56931 H 1.11552 -0.93289 -0.51453 C -0.75159 0.02250 0.02089 H -1.16688 -0.83337 0.56870 H -1.11569 0.93261 0.51508 H -1.18499 0.00442 -0.98752 ''' def test_simple(): mol = avogadro.core.Molecule() assert mol.atom_count() == 0 manager = avogadro.io.FileFormatManager() assert manager.read_string(mol, ethane_xyz, 'xyz') assert mol.atom_count() == 8 assert mol.mass() == 30.06904 if __name__ == '__main__': test_simple() OpenChemistry-avogadrolibs-ceb949f/scripts/printSpgTransforms.py000077500000000000000000000217041516317240700254270ustar00rootroot00000000000000#!/usr/bin/env python3 # Written by Patrick Avery - 2017 # Description: Searches through Open Babel's space-groups.txt file for a list # of hall symbols and prints out the transforms of each hall symbol (in order) # in a C++-friendly format. You can then run clang-format on it to fix lines # longer than 80 characters. # To use: copy the Open Babel space-groups.txt to the current directory and # run this script. You can also uncomment out the block-commented section # if you also wish to look up hall symbols from Avogadro2's spacegroupdata.h # file. # Uncomment this next section to generate hall symbols from 'spacegroupdata.h' # located in avogadro/core if the current ones need updating """ import sys with open('spacegroupdata.h', 'r') as rf: spgData = rf.read().split('\n') hallSymbols = [] for i, line in enumerate(spgData): if 'space_group_hall_symbol' in line: while spgData[i].strip(): hallSymbols.append(spgData[i].split('"')[1].replace('=', '"')) i += 1 break for hallSymbol in hallSymbols: print(" '" + hallSymbol + "',") sys.exit() """ # These are cached hall symbols we use for Avogadro2 hallSymbols = [ \ '', 'P 1', '-P 1', 'P 2y', 'P 2', 'P 2x', 'P 2yb', 'P 2c', 'P 2xa', 'C 2y', 'A 2y', 'I 2y', 'A 2', 'B 2', 'I 2', 'B 2x', 'C 2x', 'I 2x', 'P -2y', 'P -2', 'P -2x', 'P -2yc', 'P -2yac', 'P -2ya', 'P -2a', 'P -2ab', 'P -2b', 'P -2xb', 'P -2xbc', 'P -2xc', 'C -2y', 'A -2y', 'I -2y', 'A -2', 'B -2', 'I -2', 'B -2x', 'C -2x', 'I -2x', 'C -2yc', 'A -2yac', 'I -2ya', 'A -2ya', 'C -2ybc', 'I -2yc', 'A -2a', 'B -2bc', 'I -2b', 'B -2b', 'A -2ac', 'I -2a', 'B -2xb', 'C -2xbc', 'I -2xc', 'C -2xc', 'B -2xbc', 'I -2xb', '-P 2y', '-P 2', '-P 2x', '-P 2yb', '-P 2c', '-P 2xa', '-C 2y', '-A 2y', '-I 2y', '-A 2', '-B 2', '-I 2', '-B 2x', '-C 2x', '-I 2x', '-P 2yc', '-P 2yac', '-P 2ya', '-P 2a', '-P 2ab', '-P 2b', '-P 2xb', '-P 2xbc', '-P 2xc', '-P 2ybc', '-P 2yn', '-P 2yab', '-P 2ac', '-P 2n', '-P 2bc', '-P 2xab', '-P 2xn', '-P 2xac', '-C 2yc', '-A 2yac', '-I 2ya', '-A 2ya', '-C 2ybc', '-I 2yc', '-A 2a', '-B 2bc', '-I 2b', '-B 2b', '-A 2ac', '-I 2a', '-B 2xb', '-C 2xbc', '-I 2xc', '-C 2xc', '-B 2xbc', '-I 2xb', 'P 2 2', 'P 2c 2', 'P 2a 2a', 'P 2 2b', 'P 2 2ab', 'P 2bc 2', 'P 2ac 2ac', 'P 2ac 2ab', 'C 2c 2', 'A 2a 2a', 'B 2 2b', 'C 2 2', 'A 2 2', 'B 2 2', 'F 2 2', 'I 2 2', 'I 2b 2c', 'P 2 -2', 'P -2 2', 'P -2 -2', 'P 2c -2', 'P 2c -2c', 'P -2a 2a', 'P -2 2a', 'P -2 -2b', 'P -2b -2', 'P 2 -2c', 'P -2a 2', 'P -2b -2b', 'P 2 -2a', 'P 2 -2b', 'P -2b 2', 'P -2c 2', 'P -2c -2c', 'P -2a -2a', 'P 2c -2ac', 'P 2c -2b', 'P -2b 2a', 'P -2ac 2a', 'P -2bc -2c', 'P -2a -2ab', 'P 2 -2bc', 'P 2 -2ac', 'P -2ac 2', 'P -2ab 2', 'P -2ab -2ab', 'P -2bc -2bc', 'P 2ac -2', 'P 2bc -2bc', 'P -2ab 2ab', 'P -2 2ac', 'P -2 -2bc', 'P -2ab -2', 'P 2 -2ab', 'P -2bc 2', 'P -2ac -2ac', 'P 2c -2n', 'P 2c -2ab', 'P -2bc 2a', 'P -2n 2a', 'P -2n -2ac', 'P -2ac -2n', 'P 2 -2n', 'P -2n 2', 'P -2n -2n', 'C 2 -2', 'A -2 2', 'B -2 -2', 'C 2c -2', 'C 2c -2c', 'A -2a 2a', 'A -2 2a', 'B -2 -2b', 'B -2b -2', 'C 2 -2c', 'A -2a 2', 'B -2b -2b', 'A 2 -2', 'B 2 -2', 'B -2 2', 'C -2 2', 'C -2 -2', 'A -2 -2', 'A 2 -2c', 'B 2 -2c', 'B -2c 2', 'C -2b 2', 'C -2b -2b', 'A -2c -2c', 'A 2 -2a', 'B 2 -2b', 'B -2b 2', 'C -2c 2', 'C -2c -2c', 'A -2a -2a', 'A 2 -2ac', 'B 2 -2bc', 'B -2bc 2', 'C -2bc 2', 'C -2bc -2bc', 'A -2ac -2ac', 'F 2 -2', 'F -2 2', 'F -2 -2', 'F 2 -2d', 'F -2d 2', 'F -2d -2d', 'I 2 -2', 'I -2 2', 'I -2 -2', 'I 2 -2c', 'I -2a 2', 'I -2b -2b', 'I 2 -2a', 'I 2 -2b', 'I -2b 2', 'I -2c 2', 'I -2c -2c', 'I -2a -2a', '-P 2 2', 'P 2 2 -1n', '-P 2ab 2bc', '-P 2 2c', '-P 2a 2', '-P 2b 2b', 'P 2 2 -1ab', '-P 2ab 2b', 'P 2 2 -1bc', '-P 2b 2bc', 'P 2 2 -1ac', '-P 2a 2c', '-P 2a 2a', '-P 2b 2', '-P 2 2b', '-P 2c 2c', '-P 2c 2', '-P 2 2a', '-P 2a 2bc', '-P 2b 2n', '-P 2n 2b', '-P 2ab 2c', '-P 2ab 2n', '-P 2n 2bc', '-P 2ac 2', '-P 2bc 2bc', '-P 2ab 2ab', '-P 2 2ac', '-P 2 2bc', '-P 2ab 2', '-P 2a 2ac', '-P 2b 2c', '-P 2a 2b', '-P 2ac 2c', '-P 2bc 2b', '-P 2b 2ab', '-P 2 2ab', '-P 2bc 2', '-P 2ac 2ac', '-P 2ab 2ac', '-P 2ac 2bc', '-P 2bc 2ab', '-P 2c 2b', '-P 2c 2ac', '-P 2ac 2a', '-P 2b 2a', '-P 2a 2ab', '-P 2bc 2c', '-P 2 2n', '-P 2n 2', '-P 2n 2n', 'P 2 2ab -1ab', '-P 2ab 2a', 'P 2bc 2 -1bc', '-P 2c 2bc', 'P 2ac 2ac -1ac', '-P 2c 2a', '-P 2n 2ab', '-P 2n 2c', '-P 2a 2n', '-P 2bc 2n', '-P 2ac 2b', '-P 2b 2ac', '-P 2ac 2ab', '-P 2bc 2ac', '-P 2ac 2n', '-P 2bc 2a', '-P 2c 2ab', '-P 2n 2ac', '-P 2n 2a', '-P 2c 2n', '-C 2c 2', '-C 2c 2c', '-A 2a 2a', '-A 2 2a', '-B 2 2b', '-B 2b 2', '-C 2bc 2', '-C 2bc 2bc', '-A 2ac 2ac', '-A 2 2ac', '-B 2 2bc', '-B 2bc 2', '-C 2 2', '-A 2 2', '-B 2 2', '-C 2 2c', '-A 2a 2', '-B 2b 2b', '-C 2b 2', '-C 2b 2b', '-A 2c 2c', '-A 2 2c', '-B 2 2c', '-B 2c 2', 'C 2 2 -1bc', '-C 2b 2bc', 'C 2 2 -1bc', '-C 2b 2c', 'A 2 2 -1ac', '-A 2a 2c', 'A 2 2 -1ac', '-A 2ac 2c', 'B 2 2 -1bc', '-B 2bc 2b', 'B 2 2 -1bc', '-B 2b 2bc', '-F 2 2', 'F 2 2 -1d', '-F 2uv 2vw', '-I 2 2', '-I 2 2c', '-I 2a 2', '-I 2b 2b', '-I 2b 2c', '-I 2a 2b', '-I 2b 2', '-I 2a 2a', '-I 2c 2c', '-I 2 2b', '-I 2 2a', '-I 2c 2', 'P 4', 'P 4w', 'P 4c', 'P 4cw', 'I 4', 'I 4bw', 'P -4', 'I -4', '-P 4', '-P 4c', 'P 4ab -1ab', '-P 4a', 'P 4n -1n', '-P 4bc', '-I 4', 'I 4bw -1bw', '-I 4ad', 'P 4 2', 'P 4ab 2ab', 'P 4w 2c', 'P 4abw 2nw', 'P 4c 2', 'P 4n 2n', 'P 4cw 2c', 'P 4nw 2abw', 'I 4 2', 'I 4bw 2bw', 'P 4 -2', 'P 4 -2ab', 'P 4c -2c', 'P 4n -2n', 'P 4 -2c', 'P 4 -2n', 'P 4c -2', 'P 4c -2ab', 'I 4 -2', 'I 4 -2c', 'I 4bw -2', 'I 4bw -2c', 'P -4 2', 'P -4 2c', 'P -4 2ab', 'P -4 2n', 'P -4 -2', 'P -4 -2c', 'P -4 -2ab', 'P -4 -2n', 'I -4 -2', 'I -4 -2c', 'I -4 2', 'I -4 2bw', '-P 4 2', '-P 4 2c', 'P 4 2 -1ab', '-P 4a 2b', 'P 4 2 -1n', '-P 4a 2bc', '-P 4 2ab', '-P 4 2n', 'P 4ab 2ab -1ab', '-P 4a 2a', 'P 4ab 2n -1ab', '-P 4a 2ac', '-P 4c 2', '-P 4c 2c', 'P 4n 2c -1n', '-P 4ac 2b', 'P 4n 2 -1n', '-P 4ac 2bc', '-P 4c 2ab', '-P 4n 2n', 'P 4n 2n -1n', '-P 4ac 2a', 'P 4n 2ab -1n', '-P 4ac 2ac', '-I 4 2', '-I 4 2c', 'I 4bw 2bw -1bw', '-I 4bd 2', 'I 4bw 2aw -1bw', '-I 4bd 2c', 'P 3', 'P 31', 'P 32', 'R 3', 'P 3*', '-P 3', '-R 3', '-P 3*', 'P 3 2', 'P 3 2"', 'P 31 2c (0 0 1)', 'P 31 2"', 'P 32 2c (0 0 -1)', 'P 32 2"', 'R 3 2"', 'P 3* 2', 'P 3 -2"', 'P 3 -2', 'P 3 -2"c', 'P 3 -2c', 'R 3 -2"', 'P 3* -2', 'R 3 -2"c', 'P 3* -2n', '-P 3 2', '-P 3 2c', '-P 3 2"', '-P 3 2"c', '-R 3 2"', '-P 3* 2', '-R 3 2"c', '-P 3* 2n', 'P 6', 'P 61', 'P 65', 'P 62', 'P 64', 'P 6c', 'P -6', '-P 6', '-P 6c', 'P 6 2', 'P 61 2 (0 0 -1)', 'P 65 2 (0 0 1)', 'P 62 2c (0 0 1)', 'P 64 2c (0 0 -1)', 'P 6c 2c', 'P 6 -2', 'P 6 -2c', 'P 6c -2', 'P 6c -2c', 'P -6 2', 'P -6c 2', 'P -6 -2', 'P -6c -2c', '-P 6 2', '-P 6 2c', '-P 6c 2', '-P 6c 2c', 'P 2 2 3', 'F 2 2 3', 'I 2 2 3', 'P 2ac 2ab 3', 'I 2b 2c 3', '-P 2 2 3', 'P 2 2 3 -1n', '-P 2ab 2bc 3', '-F 2 2 3', 'F 2 2 3 -1d', '-F 2uv 2vw 3', '-I 2 2 3', '-P 2ac 2ab 3', '-I 2b 2c 3', 'P 4 2 3', 'P 4n 2 3', 'F 4 2 3', 'F 4d 2 3', 'I 4 2 3', 'P 4acd 2ab 3', 'P 4bd 2ab 3', 'I 4bd 2c 3', 'P -4 2 3', 'F -4 2 3', 'I -4 2 3', 'P -4n 2 3', 'F -4c 2 3', 'I -4bd 2c 3', '-P 4 2 3', 'P 4 2 3 -1n', '-P 4a 2bc 3', '-P 4n 2 3', 'P 4n 2 3 -1n', '-P 4bc 2bc 3', '-F 4 2 3', '-F 4c 2 3', 'F 4d 2 3 -1d', '-F 4vw 2vw 3', 'F 4d 2 3 -1cd', '-F 4cvw 2vw 3', '-I 4 2 3', '-I 4bd 2c 3' ] # Open the space groups file from Open Babel with open('space-groups.txt', 'r') as rf: obSpgData = rf.read().split('\n') # Loop through the hall symbols and find each of them in the Open Babel data transforms = [] for i, symbol in enumerate(hallSymbols): transforms.append('not found') if i == 0: transforms[i] = '' continue for j, line in enumerate(obSpgData): if symbol.strip() == line.strip(): while 'x,y,z' not in obSpgData[j]: j += 1 string = '' while obSpgData[j]: string += (obSpgData[j] + ' ') j += 1 string = string[:-1] transforms[i] = string break if j == len(obSpgData) - 1: print("not found:", symbol) # Print them out for transform in transforms: string = ' "' + transform + '"' if transform is not transforms[-1]: string += ',' print(string) OpenChemistry-avogadrolibs-ceb949f/tests/000077500000000000000000000000001516317240700206345ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/CMakeLists.txt000066400000000000000000000033121516317240700233730ustar00rootroot00000000000000cmake_minimum_required(VERSION 3.24 FATAL_ERROR) project(AvogadroLibsTest LANGUAGES CXX) include(CTest) enable_testing() if(PROJECT_IS_TOP_LEVEL) # Enable build of standalone tests # testing against AvogadroLibs already installed on the system. # QT_VERSION not previously defined when building tests only set(QT_VERSION 6) find_package(AvogadroLibs REQUIRED) endif() include_directories("${AvogadroLibs_BINARY_DIR}/avogadro/core") # find google test find_package(GTest REQUIRED) find_package(Eigen3 REQUIRED) find_package(Qt${QT_VERSION} COMPONENTS Widgets Network Concurrent REQUIRED) # Add both as "system headers" to avoid warnings generated by them with # compilers that support that notion. include_directories(SYSTEM ${GTEST_INCLUDE_DIRS} ${EIGEN3_INCLUDE_DIR}) include(CheckIncludeFileCXX) include(CheckCXXSymbolExists) check_include_file_cxx("gtest/gtest.h" HAVE_GTEST_HPP) if(HAVE_GTEST_HPP) check_cxx_symbol_exists(GTEST_HAS_PTHREAD "gtest/gtest.h" GTEST_HAS_PTHREAD) check_cxx_symbol_exists(GTEST_IS_THREADSAFE "gtest/gtest.h" GTEST_IS_THREADSAFE) endif() if(GTEST_HAS_PTHREAD) message(STATUS "GTest claims it has pthreads, we need to link to it.") find_package(Threads) set(EXTRA_LINK_LIB ${CMAKE_THREAD_LIBS_INIT}) else() set(EXTRA_LINK_LIB "") endif() find_path(AVOGADRO_DATA_ROOT .avogadro.data ${AvogadroLibs_SOURCE_DIR}/../avogadrodata $ENV{AVOGADRO_DATA_ROOT} DOC "The repository for data used for testing." ) mark_as_advanced(AVOGADRO_DATA_ROOT) # Add the tests for each module. add_subdirectory(calc) add_subdirectory(core) add_subdirectory(io) add_subdirectory(quantumio) if(USE_QT) add_subdirectory(qtgui) endif() if(USE_OPENGL) add_subdirectory(rendering) endif() OpenChemistry-avogadrolibs-ceb949f/tests/calc/000077500000000000000000000000001516317240700215365ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/calc/CMakeLists.txt000066400000000000000000000040511516317240700242760ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests ChargeManager EnergyManager EnergyCalculator Gradient LennardJones UFF ) include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/calc") # we also read some example data files if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) else() message("No data root found, please set to run the tests.") return() endif() configure_file("${CMAKE_CURRENT_SOURCE_DIR}/calctests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/calctests.h" @ONLY) # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroCalcTests ${testSrcs}) target_link_libraries(AvogadroCalcTests Avogadro::Calc Avogadro::IO ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) if(TestName STREQUAL "Gradient") # Gradient tests use multiple suite names in gradienttest.cpp. add_test(NAME "Calc-Gradient-Angle" COMMAND AvogadroCalcTests "--gtest_filter=AngleGradientTest.*") add_test(NAME "Calc-Gradient-Dihedral" COMMAND AvogadroCalcTests "--gtest_filter=DihedralGradientTest.*") add_test(NAME "Calc-Gradient-OutOfPlane" COMMAND AvogadroCalcTests "--gtest_filter=OutOfPlaneGradientTest.*") add_test(NAME "Calc-Gradient-Stress" COMMAND AvogadroCalcTests "--gtest_filter=GradientStressTest.*") elseif(TestName STREQUAL "UFF") # Parameterized test suite name is UffGradientTest. add_test(NAME "Calc-UFF" COMMAND AvogadroCalcTests "--gtest_filter=UffTest/UffGradientTest.*") else() add_test(NAME "Calc-${TestName}" COMMAND AvogadroCalcTests "--gtest_filter=${TestName}Test.*") endif() endforeach() OpenChemistry-avogadrolibs-ceb949f/tests/calc/calctests.h.in000066400000000000000000000002031516317240700242740ustar00rootroot00000000000000#ifndef AVOGADRO_CALCTESTS_H #define AVOGADRO_CALCTESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_CALCTESTS_H OpenChemistry-avogadrolibs-ceb949f/tests/calc/chargemanagertest.cpp000066400000000000000000000023101516317240700257220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "calctests.h" #include #include #include #include using namespace Avogadro::Calc; using namespace Avogadro::Core; using Avogadro::Vector3; class ChargeManagerTest : public testing::Test { protected: Molecule m_testMolecule; ChargeManager* m_chargeManager; void SetUp() override { // Create a simple water molecule (H2O) auto o1 = m_testMolecule.addAtom(8); // Oxygen auto h2 = m_testMolecule.addAtom(1); // Hydrogen auto h3 = m_testMolecule.addAtom(1); // Hydrogen o1.setPosition3d(Vector3(0, 0, 0)); h2.setPosition3d(Vector3(0.6, -0.5, 0)); h3.setPosition3d(Vector3(-0.6, -0.5, 0)); m_testMolecule.addBond(o1, h2, 1); // Single bond m_testMolecule.addBond(o1, h3, 1); // Single bond m_chargeManager = &ChargeManager::instance(); } }; // TODO Add more tests OpenChemistry-avogadrolibs-ceb949f/tests/calc/energycalculatortest.cpp000066400000000000000000000372671516317240700265240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "calctests.h" #include #include #include #include #include #include using namespace Avogadro::Calc; using namespace Avogadro::Core; using Avogadro::MaxIndex; using Avogadro::Real; // Mock EnergyCalculator implementation for testing class TestEnergyCalculator : public EnergyCalculator { public: TestEnergyCalculator(const std::string& id = "test_calc", const std::string& modelName = "Test Calculator") : m_identifier(id), m_name(modelName), m_acceptsUnitCell(false), m_acceptsIons(false), m_acceptsRadicals(false), m_configCalled(false) { } EnergyCalculator* newInstance() const override { return new TestEnergyCalculator(m_identifier, m_name); } std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return "Test calculator for unit testing"; } Molecule::ElementMask elements() const override { // Support all elements by default Molecule::ElementMask mask; mask.set(); return mask; } bool acceptsUnitCell() const override { return m_acceptsUnitCell; } bool acceptsIons() const override { return m_acceptsIons; } bool acceptsRadicals() const override { return m_acceptsRadicals; } // Simple quadratic energy function for testing Real value(const Eigen::VectorXd& x) override { return x.squaredNorm(); } void setMolecule(Molecule* mol) override { m_molecule = mol; } // Test helpers void setAcceptsUnitCell(bool val) { m_acceptsUnitCell = val; } void setAcceptsIons(bool val) { m_acceptsIons = val; } void setAcceptsRadicals(bool val) { m_acceptsRadicals = val; } bool wasConfigCalled() const { return m_configCalled; } const VariantMap& getConfig() const { return m_config; } private: std::string m_identifier; std::string m_name; Molecule* m_molecule = nullptr; bool m_acceptsUnitCell; bool m_acceptsIons; bool m_acceptsRadicals; bool m_configCalled; VariantMap m_config; }; class FusedEnergyCalculator : public EnergyCalculator { public: EnergyCalculator* newInstance() const override { return new FusedEnergyCalculator(); } std::string identifier() const override { return "fused_test"; } std::string name() const override { return "Fused Test"; } std::string description() const override { return "Fused evaluate test"; } Molecule::ElementMask elements() const override { Molecule::ElementMask mask; mask.set(); return mask; } void setMolecule(Molecule* /*mol*/) override {} Real value(const Eigen::VectorXd& x) override { ++m_valueCalls; return x.squaredNorm(); } void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override { ++m_gradientCalls; grad = 2.0 * x; } Real evaluate(const Eigen::VectorXd& x, Eigen::VectorXd* grad) override { ++m_evaluateCalls; if (grad != nullptr) *grad = 2.0 * x; return x.squaredNorm(); } int evaluateCalls() const { return m_evaluateCalls; } int valueCalls() const { return m_valueCalls; } int gradientCalls() const { return m_gradientCalls; } private: int m_evaluateCalls = 0; int m_valueCalls = 0; int m_gradientCalls = 0; }; class SizedGradientCalculator : public EnergyCalculator { public: EnergyCalculator* newInstance() const override { return new SizedGradientCalculator(); } std::string identifier() const override { return "sized_grad_test"; } std::string name() const override { return "Sized Gradient Test"; } std::string description() const override { return "Checks evaluate() pre-sizes gradients"; } Molecule::ElementMask elements() const override { Molecule::ElementMask mask; mask.set(); return mask; } void setMolecule(Molecule* /*mol*/) override {} Real value(const Eigen::VectorXd& x) override { return x.squaredNorm(); } void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override { m_sawExpectedSize = (grad.size() == x.size()); for (Eigen::Index i = 0; i < x.size(); ++i) grad[i] = 2.0 * x[i]; } bool sawExpectedSize() const { return m_sawExpectedSize; } private: bool m_sawExpectedSize = false; }; // Test fixture for EnergyCalculator class EnergyCalculatorTest : public ::testing::Test { protected: void SetUp() override { calculator = new TestEnergyCalculator(); molecule = new Molecule(); } void TearDown() override { delete calculator; delete molecule; } TestEnergyCalculator* calculator; Molecule* molecule; }; // Basic Property Tests TEST_F(EnergyCalculatorTest, Identifier) { EXPECT_EQ(calculator->identifier(), "test_calc"); } TEST_F(EnergyCalculatorTest, Name) { EXPECT_EQ(calculator->name(), "Test Calculator"); } TEST_F(EnergyCalculatorTest, Description) { std::string desc = calculator->description(); EXPECT_FALSE(desc.empty()); EXPECT_EQ(desc, "Test calculator for unit testing"); } TEST_F(EnergyCalculatorTest, NewInstance) { EnergyCalculator* newCalc = calculator->newInstance(); ASSERT_NE(newCalc, nullptr); EXPECT_EQ(newCalc->identifier(), "test_calc"); EXPECT_EQ(newCalc->name(), "Test Calculator"); EXPECT_NE(newCalc, calculator); // Should be a different instance delete newCalc; } TEST_F(EnergyCalculatorTest, NewInstanceIsIndependent) { EnergyCalculator* calc1 = calculator->newInstance(); EnergyCalculator* calc2 = calculator->newInstance(); ASSERT_NE(calc1, nullptr); ASSERT_NE(calc2, nullptr); EXPECT_NE(calc1, calc2); delete calc1; delete calc2; } // Molecule Tests TEST_F(EnergyCalculatorTest, SetMolecule) { EXPECT_NO_THROW(calculator->setMolecule(molecule)); } TEST_F(EnergyCalculatorTest, SetMoleculeNull) { EXPECT_NO_THROW(calculator->setMolecule(nullptr)); } // Energy Calculation Tests TEST_F(EnergyCalculatorTest, ValueFunction) { Eigen::VectorXd x(3); x << 1.0, 2.0, 3.0; Real value = calculator->value(x); Real expected = 1.0 + 4.0 + 9.0; // Sum of squares EXPECT_DOUBLE_EQ(value, expected); } TEST_F(EnergyCalculatorTest, ValueFunctionZeroVector) { Eigen::VectorXd x(3); x << 0.0, 0.0, 0.0; Real value = calculator->value(x); EXPECT_DOUBLE_EQ(value, 0.0); } TEST_F(EnergyCalculatorTest, ValueFunctionNegativeValues) { Eigen::VectorXd x(2); x << -3.0, 4.0; Real value = calculator->value(x); Real expected = 9.0 + 16.0; // (-3)^2 + 4^2 EXPECT_DOUBLE_EQ(value, expected); } // Gradient Tests TEST_F(EnergyCalculatorTest, GradientFunction) { Eigen::VectorXd x(3); x << 1.0, 2.0, 3.0; Eigen::VectorXd grad(3); calculator->gradient(x, grad); EXPECT_EQ(grad.size(), 3); // Gradient values depend on the numerical differentiation // Just verify it runs without crashing } TEST_F(EnergyCalculatorTest, GradientFunctionAtZero) { Eigen::VectorXd x(2); x << 0.0, 0.0; Eigen::VectorXd grad(2); calculator->gradient(x, grad); EXPECT_EQ(grad.size(), 2); // At zero, gradient should be close to zero EXPECT_NEAR(grad(0), 0.0, 1e-5); EXPECT_NEAR(grad(1), 0.0, 1e-5); } TEST_F(EnergyCalculatorTest, FiniteGradientFunction) { Eigen::VectorXd x(3); x << 1.0, -2.0, 3.0; Eigen::VectorXd grad(3); calculator->finiteGradient(x, grad); EXPECT_EQ(grad.size(), 3); EXPECT_NEAR(grad(0), 2.0, 1e-4); EXPECT_NEAR(grad(1), -4.0, 1e-4); EXPECT_NEAR(grad(2), 6.0, 1e-4); } TEST_F(EnergyCalculatorTest, EvaluateWithoutGradient) { Eigen::VectorXd x(3); x << 1.0, 2.0, 3.0; Real evaluated = calculator->evaluate(x, nullptr); EXPECT_DOUBLE_EQ(evaluated, calculator->value(x)); } TEST_F(EnergyCalculatorTest, EvaluateWithGradient) { Eigen::VectorXd x(2); x << 1.5, -0.5; Eigen::VectorXd grad(2); Real evaluated = calculator->evaluate(x, &grad); EXPECT_DOUBLE_EQ(evaluated, calculator->value(x)); EXPECT_EQ(grad.size(), 2); EXPECT_NEAR(grad(0), 3.0, 1e-4); EXPECT_NEAR(grad(1), -1.0, 1e-4); } TEST(EnergyCalculatorFusedTest, EvaluateOverrideIsUsed) { FusedEnergyCalculator calculator; Eigen::VectorXd x(2); x << 2.0, -3.0; Eigen::VectorXd grad(2); Real energy = calculator.evaluate(x, &grad); EXPECT_DOUBLE_EQ(energy, 13.0); EXPECT_EQ(calculator.evaluateCalls(), 1); EXPECT_EQ(calculator.valueCalls(), 0); EXPECT_EQ(calculator.gradientCalls(), 0); EXPECT_DOUBLE_EQ(grad(0), 4.0); EXPECT_DOUBLE_EQ(grad(1), -6.0); } TEST(EnergyCalculatorEvaluateTest, DefaultEvaluatePreSizesGradient) { SizedGradientCalculator calculator; Eigen::VectorXd x(3); x << 1.0, -2.0, 0.5; Eigen::VectorXd grad; // intentionally uninitialized size Real energy = calculator.evaluate(x, &grad); EXPECT_TRUE(calculator.sawExpectedSize()); EXPECT_EQ(grad.size(), x.size()); EXPECT_DOUBLE_EQ(energy, x.squaredNorm()); } TEST(EnergyOptimizerTest, OptimizeStepsLbfgsReducesEnergy) { SizedGradientCalculator calculator; Eigen::VectorXd x(3); x << 3.0, -2.0, 1.0; const Real initial = calculator.value(x); OptimizationOptions options; options.algorithm = OptimizationAlgorithm::Lbfgs; options.chunkIterations = 5; EXPECT_TRUE(optimizeSteps(calculator, x, options)); const Real final = calculator.value(x); EXPECT_LT(final, initial); } TEST(EnergyOptimizerTest, OptimizeStepsRejectsZeroIterations) { SizedGradientCalculator calculator; Eigen::VectorXd x(3); x << 3.0, -2.0, 1.0; const Eigen::VectorXd original = x; OptimizationOptions options; options.algorithm = OptimizationAlgorithm::Lbfgs; options.chunkIterations = 0; EXPECT_FALSE(optimizeSteps(calculator, x, options)); EXPECT_TRUE(x.isApprox(original)); } // Constraint Tests TEST_F(EnergyCalculatorTest, ConstraintsInitiallyEmpty) { auto constraints = calculator->constraints(); EXPECT_TRUE(constraints.empty()); } TEST_F(EnergyCalculatorTest, SetConstraints) { std::vector constraints; // Distance Constraint Constraint c1(0, 1, MaxIndex, MaxIndex, 1.5); constraints.push_back(c1); EXPECT_NO_THROW(calculator->setConstraints(constraints)); } TEST_F(EnergyCalculatorTest, SetAndGetConstraints) { std::vector constraints; // Distance Constraint c1(0, 1, MaxIndex, MaxIndex, 1.5); // Angle Constraint c2(0, 1, 2, MaxIndex, 120.0); constraints.push_back(c1); constraints.push_back(c2); calculator->setConstraints(constraints); auto retrieved = calculator->constraints(); EXPECT_EQ(retrieved.size(), 2); } TEST_F(EnergyCalculatorTest, SetMultipleConstraintTypes) { std::vector constraints; constraints.push_back(Constraint(0, 1, MaxIndex, MaxIndex, 1.5)); constraints.push_back(Constraint(0, 1, 2, MaxIndex, 109.5)); constraints.push_back(Constraint(0, 1, 2, 3, 180.0)); calculator->setConstraints(constraints); auto retrieved = calculator->constraints(); EXPECT_EQ(retrieved.size(), 3); } TEST_F(EnergyCalculatorTest, ClearConstraints) { std::vector constraints; constraints.push_back(Constraint(0, 1, MaxIndex, MaxIndex, 1.5)); calculator->setConstraints(constraints); // Clear by setting empty vector std::vector empty; calculator->setConstraints(empty); auto retrieved = calculator->constraints(); EXPECT_TRUE(retrieved.empty()); } TEST_F(EnergyCalculatorTest, ConstraintEnergies) { Eigen::VectorXd x(6); // 2 atoms, 3 coords each x << 0.0, 0.0, 0.0, 1.5, 0.0, 0.0; std::vector constraints; constraints.push_back(Constraint(0, 1, MaxIndex, MaxIndex, 1.5)); calculator->setConstraints(constraints); Real energy = calculator->constraintEnergies(x); // Should be zero or near zero when constraint is satisfied EXPECT_GE(energy, 0.0); } TEST_F(EnergyCalculatorTest, ConstraintGradients) { Eigen::VectorXd x(6); x << 0.0, 0.0, 0.0, 1.5, 0.0, 0.0; Eigen::VectorXd grad(6); grad.setZero(); std::vector constraints; constraints.push_back(Constraint(0, 1, MaxIndex, MaxIndex, 1.5)); calculator->setConstraints(constraints); EXPECT_NO_THROW(calculator->constraintGradients(x, grad)); } // Mask Tests TEST_F(EnergyCalculatorTest, SetAndGetMask) { Eigen::VectorXd mask(3); mask << 1.0, 0.0, 1.0; calculator->setMask(mask); Eigen::VectorXd retrieved = calculator->mask(); EXPECT_EQ(retrieved.size(), 3); EXPECT_DOUBLE_EQ(retrieved(0), 1.0); EXPECT_DOUBLE_EQ(retrieved(1), 0.0); EXPECT_DOUBLE_EQ(retrieved(2), 1.0); } TEST_F(EnergyCalculatorTest, MaskAllFree) { Eigen::VectorXd mask(4); mask << 1.0, 1.0, 1.0, 1.0; calculator->setMask(mask); Eigen::VectorXd retrieved = calculator->mask(); for (int i = 0; i < retrieved.size(); ++i) { EXPECT_DOUBLE_EQ(retrieved(i), 1.0); } } TEST_F(EnergyCalculatorTest, MaskAllFrozen) { Eigen::VectorXd mask(4); mask << 0.0, 0.0, 0.0, 0.0; calculator->setMask(mask); Eigen::VectorXd retrieved = calculator->mask(); for (int i = 0; i < retrieved.size(); ++i) { EXPECT_DOUBLE_EQ(retrieved(i), 0.0); } } TEST_F(EnergyCalculatorTest, CleanGradients) { Eigen::VectorXd mask(3); mask << 1.0, 0.0, 1.0; // Middle coordinate frozen calculator->setMask(mask); Eigen::VectorXd grad(3); grad << 1.0, 2.0, 3.0; calculator->cleanGradients(grad); EXPECT_DOUBLE_EQ(grad(0), 1.0); EXPECT_DOUBLE_EQ(grad(1), 0.0); // Should be zeroed by mask EXPECT_DOUBLE_EQ(grad(2), 3.0); } // Capability Tests TEST_F(EnergyCalculatorTest, DefaultCapabilities) { EXPECT_FALSE(calculator->acceptsUnitCell()); EXPECT_FALSE(calculator->acceptsIons()); EXPECT_FALSE(calculator->acceptsRadicals()); } TEST_F(EnergyCalculatorTest, SetAcceptsUnitCell) { calculator->setAcceptsUnitCell(true); EXPECT_TRUE(calculator->acceptsUnitCell()); calculator->setAcceptsUnitCell(false); EXPECT_FALSE(calculator->acceptsUnitCell()); } TEST_F(EnergyCalculatorTest, SetAcceptsIons) { calculator->setAcceptsIons(true); EXPECT_TRUE(calculator->acceptsIons()); calculator->setAcceptsIons(false); EXPECT_FALSE(calculator->acceptsIons()); } TEST_F(EnergyCalculatorTest, SetAcceptsRadicals) { calculator->setAcceptsRadicals(true); EXPECT_TRUE(calculator->acceptsRadicals()); calculator->setAcceptsRadicals(false); EXPECT_FALSE(calculator->acceptsRadicals()); } TEST_F(EnergyCalculatorTest, AllCapabilitiesEnabled) { calculator->setAcceptsUnitCell(true); calculator->setAcceptsIons(true); calculator->setAcceptsRadicals(true); EXPECT_TRUE(calculator->acceptsUnitCell()); EXPECT_TRUE(calculator->acceptsIons()); EXPECT_TRUE(calculator->acceptsRadicals()); } // Element Mask Tests TEST_F(EnergyCalculatorTest, ElementMask) { auto mask = calculator->elements(); EXPECT_TRUE(mask.any()); } TEST_F(EnergyCalculatorTest, ElementMaskSize) { auto mask = calculator->elements(); // Element mask should have a reasonable size EXPECT_GT(mask.size(), 0); } // Configuration Tests TEST_F(EnergyCalculatorTest, UserOptionsDefaultEmpty) { EXPECT_TRUE(calculator->userOptions().empty()); } TEST_F(EnergyCalculatorTest, SetUserOptionsDefaultSucceeds) { EXPECT_TRUE(calculator->setUserOptions(R"({"solvent":"water"})")); } // Custom Calculator Tests TEST(CustomCalculatorTest, DifferentIdentifiers) { TestEnergyCalculator calc1("calc1", "Calculator 1"); TestEnergyCalculator calc2("calc2", "Calculator 2"); EXPECT_NE(calc1.identifier(), calc2.identifier()); EXPECT_NE(calc1.name(), calc2.name()); } TEST(CustomCalculatorTest, SameIdentifier) { TestEnergyCalculator calc1("same_id", "Name 1"); TestEnergyCalculator calc2("same_id", "Name 2"); EXPECT_EQ(calc1.identifier(), calc2.identifier()); EXPECT_NE(calc1.name(), calc2.name()); } OpenChemistry-avogadrolibs-ceb949f/tests/calc/energymanagertest.cpp000066400000000000000000000215511516317240700257720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "calctests.h" #include #include #include #include using namespace Avogadro::Calc; using namespace Avogadro::Core; using Avogadro::Real; // Mock EnergyCalculator for testing EnergyManager class MockEnergyCalculator : public EnergyCalculator { public: MockEnergyCalculator(const std::string& id, const std::string& modelName, bool unitCell = false, bool ions = false, bool radicals = false) : m_identifier(id), m_name(modelName), m_acceptsUnitCell(unitCell), m_acceptsIons(ions), m_acceptsRadicals(radicals) { } EnergyCalculator* newInstance() const override { return new MockEnergyCalculator(m_identifier, m_name, m_acceptsUnitCell, m_acceptsIons, m_acceptsRadicals); } std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return "Mock calculator for testing"; } Molecule::ElementMask elements() const override { Molecule::ElementMask mask; mask.set(); return mask; } Real value(const Eigen::VectorXd& x) override { return x.squaredNorm(); } void setMolecule(Molecule* mol) override { m_molecule = mol; } bool acceptsUnitCell() const override { return m_acceptsUnitCell; } bool acceptsIons() const override { return m_acceptsIons; } bool acceptsRadicals() const override { return m_acceptsRadicals; } private: std::string m_identifier; std::string m_name; bool m_acceptsUnitCell; bool m_acceptsIons; bool m_acceptsRadicals; Molecule* m_molecule = nullptr; }; // Test fixture for EnergyManager class EnergyManagerTest : public ::testing::Test { protected: void SetUp() override { // Get singleton instance manager = &EnergyManager::instance(); } void TearDown() override { // Clean up any registered models auto ids = manager->identifiers(); for (const auto& id : ids) { manager->removeModel(id); } } EnergyManager* manager; }; // EnergyManager Tests TEST_F(EnergyManagerTest, SingletonInstance) { EnergyManager& instance1 = EnergyManager::instance(); EnergyManager& instance2 = EnergyManager::instance(); EXPECT_EQ(&instance1, &instance2); } TEST_F(EnergyManagerTest, RegisterAndUnregisterModel) { auto* model = new MockEnergyCalculator("test_model", "Test Model"); EXPECT_TRUE(EnergyManager::registerModel(model)); auto ids = manager->identifiers(); EXPECT_TRUE(ids.find("test_model") != ids.end()); EXPECT_TRUE(EnergyManager::unregisterModel("test_model")); ids = manager->identifiers(); EXPECT_TRUE(ids.find("test_model") == ids.end()); } TEST_F(EnergyManagerTest, AddAndRemoveModel) { auto* model = new MockEnergyCalculator("add_test", "Add Test"); EXPECT_TRUE(manager->addModel(model)); auto ids = manager->identifiers(); EXPECT_TRUE(ids.find("add_test") != ids.end()); EXPECT_TRUE(manager->removeModel("add_test")); ids = manager->identifiers(); EXPECT_TRUE(ids.find("add_test") == ids.end()); } TEST_F(EnergyManagerTest, RetrieveModel) { auto* model = new MockEnergyCalculator("retrieve_test", "Retrieve Test"); manager->addModel(model); EnergyCalculator* retrieved = manager->model("retrieve_test"); ASSERT_NE(retrieved, nullptr); EXPECT_EQ(retrieved->identifier(), "retrieve_test"); delete retrieved; manager->removeModel("retrieve_test"); } TEST_F(EnergyManagerTest, RetrieveNonExistentModel) { EnergyCalculator* retrieved = manager->model("nonexistent"); EXPECT_EQ(retrieved, nullptr); } TEST_F(EnergyManagerTest, GetNameForModel) { auto* model = new MockEnergyCalculator("name_test", "Name Test Model"); manager->addModel(model); std::string name = manager->nameForModel("name_test"); EXPECT_EQ(name, "Name Test Model"); manager->removeModel("name_test"); } TEST_F(EnergyManagerTest, GetNameForNonExistentModel) { std::string name = manager->nameForModel("nonexistent"); EXPECT_EQ(name, "nonexistent"); } TEST_F(EnergyManagerTest, GetIdentifiers) { auto* model1 = new MockEnergyCalculator("id1", "Model 1"); auto* model2 = new MockEnergyCalculator("id2", "Model 2"); auto* model3 = new MockEnergyCalculator("id3", "Model 3"); manager->addModel(model1); manager->addModel(model2); manager->addModel(model3); auto ids = manager->identifiers(); EXPECT_GE(ids.size(), 3); EXPECT_TRUE(ids.find("id1") != ids.end()); EXPECT_TRUE(ids.find("id2") != ids.end()); EXPECT_TRUE(ids.find("id3") != ids.end()); manager->removeModel("id1"); manager->removeModel("id2"); manager->removeModel("id3"); } TEST_F(EnergyManagerTest, IdentifiersForMolecule) { auto* model1 = new MockEnergyCalculator("model1", "Model 1"); auto* model2 = new MockEnergyCalculator("model2", "Model 2"); manager->addModel(model1); manager->addModel(model2); Molecule mol; auto ids = manager->identifiersForMolecule(mol); EXPECT_GE(ids.size(), 2); EXPECT_TRUE(ids.find("model1") != ids.end()); EXPECT_TRUE(ids.find("model2") != ids.end()); manager->removeModel("model1"); manager->removeModel("model2"); } TEST_F(EnergyManagerTest, IdentifiersForMoleculeWithUnitCell) { auto* model1 = new MockEnergyCalculator("no_cell", "No Cell", false, false, false); auto* model2 = new MockEnergyCalculator("with_cell", "With Cell", true, false, false); manager->addModel(model1); manager->addModel(model2); Molecule mol; // TODO: Set unit cell on molecule when that functionality is available auto ids = manager->identifiersForMolecule(mol); EXPECT_GE(ids.size(), 1); manager->removeModel("no_cell"); manager->removeModel("with_cell"); } TEST_F(EnergyManagerTest, RecommendedModel) { auto* model = new MockEnergyCalculator("recommended", "Recommended Model"); manager->addModel(model); Molecule mol; std::string recommended = manager->recommendedModel(mol); // Should return a valid model EXPECT_FALSE(recommended.empty()); manager->removeModel("recommended"); } TEST_F(EnergyManagerTest, PreventDuplicateRegistration) { auto* model1 = new MockEnergyCalculator("duplicate", "Duplicate 1"); auto* model2 = new MockEnergyCalculator("duplicate", "Duplicate 2"); EXPECT_TRUE(manager->addModel(model1)); EXPECT_FALSE(manager->addModel(model2)); // Second model should be rejected, so we need to clean it up delete model2; auto ids = manager->identifiers(); EXPECT_TRUE(ids.find("duplicate") != ids.end()); // Verify only one model with this ID exists EnergyCalculator* retrieved = manager->model("duplicate"); EXPECT_EQ(retrieved->name(), "Duplicate 1"); delete retrieved; manager->removeModel("duplicate"); } TEST_F(EnergyManagerTest, MultipleModelsLifecycle) { // Add multiple models auto* model1 = new MockEnergyCalculator("multi1", "Multi 1"); auto* model2 = new MockEnergyCalculator("multi2", "Multi 2"); auto* model3 = new MockEnergyCalculator("multi3", "Multi 3"); EXPECT_TRUE(manager->addModel(model1)); EXPECT_TRUE(manager->addModel(model2)); EXPECT_TRUE(manager->addModel(model3)); auto ids = manager->identifiers(); EXPECT_GE(ids.size(), 3); // Remove one model EXPECT_TRUE(manager->removeModel("multi2")); ids = manager->identifiers(); EXPECT_TRUE(ids.find("multi2") == ids.end()); EXPECT_TRUE(ids.find("multi1") != ids.end()); EXPECT_TRUE(ids.find("multi3") != ids.end()); // Clean up remaining models manager->removeModel("multi1"); manager->removeModel("multi3"); } TEST_F(EnergyManagerTest, ErrorHandling) { // Initially no errors std::string error = manager->error(); // Error string may or may not be empty initially, just verify it's accessible EXPECT_NO_THROW(manager->error()); } // Integration test TEST_F(EnergyManagerTest, CompleteWorkflow) { // Register a model auto* model = new MockEnergyCalculator("workflow", "Workflow Test"); ASSERT_TRUE(manager->addModel(model)); // Verify it's in the identifiers list auto ids = manager->identifiers(); EXPECT_TRUE(ids.find("workflow") != ids.end()); // Get the name std::string name = manager->nameForModel("workflow"); EXPECT_EQ(name, "Workflow Test"); // Retrieve and use the model EnergyCalculator* retrieved = manager->model("workflow"); ASSERT_NE(retrieved, nullptr); EXPECT_EQ(retrieved->identifier(), "workflow"); Eigen::VectorXd x(2); x << 1.0, 1.0; Real energy = retrieved->value(x); EXPECT_GT(energy, 0.0); delete retrieved; // Remove the model EXPECT_TRUE(manager->removeModel("workflow")); ids = manager->identifiers(); EXPECT_TRUE(ids.find("workflow") == ids.end()); } OpenChemistry-avogadrolibs-ceb949f/tests/calc/gradienttest.cpp000066400000000000000000000575651516317240700247610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "calctests.h" #include #include #include #include #include #include using namespace Avogadro::Calc; using namespace Avogadro::Core; using namespace Avogadro; using Avogadro::Vector3; // Numerical gradient calculation helper class NumericalGradient { public: static constexpr Real epsilon = 1e-7; // Calculate numerical gradient for angle using central differences static void angleNumerical(const Vector3& a, const Vector3& b, const Vector3& c, Vector3& aGrad, Vector3& bGrad, Vector3& cGrad) { aGrad.setZero(); bGrad.setZero(); cGrad.setZero(); // Numerical gradient for point a for (int i = 0; i < 3; ++i) { Vector3 aPlus = a, aMinus = a; aPlus[i] += epsilon; aMinus[i] -= epsilon; Real anglePlus = calculateAngle(aPlus, b, c) * DEG_TO_RAD; Real angleMinus = calculateAngle(aMinus, b, c) * DEG_TO_RAD; aGrad[i] = (anglePlus - angleMinus) / (2 * epsilon); } // Numerical gradient for point b for (int i = 0; i < 3; ++i) { Vector3 bPlus = b, bMinus = b; bPlus[i] += epsilon; bMinus[i] -= epsilon; Real anglePlus = calculateAngle(a, bPlus, c) * DEG_TO_RAD; Real angleMinus = calculateAngle(a, bMinus, c) * DEG_TO_RAD; bGrad[i] = (anglePlus - angleMinus) / (2 * epsilon); } // Numerical gradient for point c for (int i = 0; i < 3; ++i) { Vector3 cPlus = c, cMinus = c; cPlus[i] += epsilon; cMinus[i] -= epsilon; Real anglePlus = calculateAngle(a, b, cPlus) * DEG_TO_RAD; Real angleMinus = calculateAngle(a, b, cMinus) * DEG_TO_RAD; cGrad[i] = (anglePlus - angleMinus) / (2 * epsilon); } } // Calculate numerical gradient for dihedral static void dihedralNumerical(const Vector3& i, const Vector3& j, const Vector3& k, const Vector3& l, Vector3& iGrad, Vector3& jGrad, Vector3& kGrad, Vector3& lGrad) { iGrad.setZero(); jGrad.setZero(); kGrad.setZero(); lGrad.setZero(); // Numerical gradient for point i for (int idx = 0; idx < 3; ++idx) { Vector3 iPlus = i, iMinus = i; iPlus[idx] += epsilon; iMinus[idx] -= epsilon; Real phiPlus = calculateDihedral(iPlus, j, k, l) * DEG_TO_RAD; Real phiMinus = calculateDihedral(iMinus, j, k, l) * DEG_TO_RAD; Real diff = phiPlus - phiMinus; // Handle wrapping around -pi/pi if (diff > M_PI) diff -= 2 * M_PI; if (diff < -M_PI) diff += 2 * M_PI; iGrad[idx] = diff / (2 * epsilon); } // Numerical gradient for point j for (int idx = 0; idx < 3; ++idx) { Vector3 jPlus = j, jMinus = j; jPlus[idx] += epsilon; jMinus[idx] -= epsilon; Real phiPlus = calculateDihedral(i, jPlus, k, l) * DEG_TO_RAD; Real phiMinus = calculateDihedral(i, jMinus, k, l) * DEG_TO_RAD; Real diff = phiPlus - phiMinus; if (diff > M_PI) diff -= 2 * M_PI; if (diff < -M_PI) diff += 2 * M_PI; jGrad[idx] = diff / (2 * epsilon); } // Numerical gradient for point k for (int idx = 0; idx < 3; ++idx) { Vector3 kPlus = k, kMinus = k; kPlus[idx] += epsilon; kMinus[idx] -= epsilon; Real phiPlus = calculateDihedral(i, j, kPlus, l) * DEG_TO_RAD; Real phiMinus = calculateDihedral(i, j, kMinus, l) * DEG_TO_RAD; Real diff = phiPlus - phiMinus; if (diff > M_PI) diff -= 2 * M_PI; if (diff < -M_PI) diff += 2 * M_PI; kGrad[idx] = diff / (2 * epsilon); } // Numerical gradient for point l for (int idx = 0; idx < 3; ++idx) { Vector3 lPlus = l, lMinus = l; lPlus[idx] += epsilon; lMinus[idx] -= epsilon; Real phiPlus = calculateDihedral(i, j, k, lPlus) * DEG_TO_RAD; Real phiMinus = calculateDihedral(i, j, k, lMinus) * DEG_TO_RAD; Real diff = phiPlus - phiMinus; if (diff > M_PI) diff -= 2 * M_PI; if (diff < -M_PI) diff += 2 * M_PI; lGrad[idx] = diff / (2 * epsilon); } } // Calculate numerical gradient for out-of-plane angle using central // differences static void outOfPlaneNumerical(const Vector3& a, const Vector3& b, const Vector3& c, const Vector3& d, Vector3& aGrad, Vector3& bGrad, Vector3& cGrad, Vector3& dGrad) { aGrad.setZero(); bGrad.setZero(); cGrad.setZero(); dGrad.setZero(); for (int i = 0; i < 3; ++i) { Vector3 aPlus = a, aMinus = a; aPlus[i] += epsilon; aMinus[i] -= epsilon; aGrad[i] = (outOfPlaneAngle(aPlus, b, c, d) - outOfPlaneAngle(aMinus, b, c, d)) * DEG_TO_RAD / (2 * epsilon); } for (int i = 0; i < 3; ++i) { Vector3 bPlus = b, bMinus = b; bPlus[i] += epsilon; bMinus[i] -= epsilon; bGrad[i] = (outOfPlaneAngle(a, bPlus, c, d) - outOfPlaneAngle(a, bMinus, c, d)) * DEG_TO_RAD / (2 * epsilon); } for (int i = 0; i < 3; ++i) { Vector3 cPlus = c, cMinus = c; cPlus[i] += epsilon; cMinus[i] -= epsilon; cGrad[i] = (outOfPlaneAngle(a, b, cPlus, d) - outOfPlaneAngle(a, b, cMinus, d)) * DEG_TO_RAD / (2 * epsilon); } for (int i = 0; i < 3; ++i) { Vector3 dPlus = d, dMinus = d; dPlus[i] += epsilon; dMinus[i] -= epsilon; dGrad[i] = (outOfPlaneAngle(a, b, c, dPlus) - outOfPlaneAngle(a, b, c, dMinus)) * DEG_TO_RAD / (2 * epsilon); } } }; // Helper function to check if a vector contains NaN or Inf bool hasNaNOrInf(const Vector3& v) { return std::isnan(v[0]) || std::isnan(v[1]) || std::isnan(v[2]) || std::isinf(v[0]) || std::isinf(v[1]) || std::isinf(v[2]); } // Test fixture for angle gradients class AngleGradientTest : public ::testing::Test { protected: void checkGradientsValid(const Vector3& aGrad, const Vector3& bGrad, const Vector3& cGrad) { EXPECT_FALSE(hasNaNOrInf(aGrad)) << "aGrad has NaN or Inf"; EXPECT_FALSE(hasNaNOrInf(bGrad)) << "bGrad has NaN or Inf"; EXPECT_FALSE(hasNaNOrInf(cGrad)) << "cGrad has NaN or Inf"; } void compareWithNumerical(const Vector3& a, const Vector3& b, const Vector3& c, Real tolerance = 1e-6) { Vector3 aGrad, bGrad, cGrad; Vector3 aGradNum, bGradNum, cGradNum; angleGradient(a, b, c, aGrad, bGrad, cGrad); NumericalGradient::angleNumerical(a, b, c, aGradNum, bGradNum, cGradNum); EXPECT_NEAR((aGrad - aGradNum).norm(), 0.0, tolerance) << "aGrad mismatch"; EXPECT_NEAR((bGrad - bGradNum).norm(), 0.0, tolerance) << "bGrad mismatch"; EXPECT_NEAR((cGrad - cGradNum).norm(), 0.0, tolerance) << "cGrad mismatch"; } }; // Test fixture for dihedral gradients class DihedralGradientTest : public ::testing::Test { protected: void checkGradientsValid(const Vector3& iGrad, const Vector3& jGrad, const Vector3& kGrad, const Vector3& lGrad) { EXPECT_FALSE(hasNaNOrInf(iGrad)) << "iGrad has NaN or Inf"; EXPECT_FALSE(hasNaNOrInf(jGrad)) << "jGrad has NaN or Inf"; EXPECT_FALSE(hasNaNOrInf(kGrad)) << "kGrad has NaN or Inf"; EXPECT_FALSE(hasNaNOrInf(lGrad)) << "lGrad has NaN or Inf"; } void compareWithNumerical(const Vector3& i, const Vector3& j, const Vector3& k, const Vector3& l, Real tolerance = 1e-6) { Vector3 iGrad, jGrad, kGrad, lGrad; Vector3 iGradNum, jGradNum, kGradNum, lGradNum; dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); NumericalGradient::dihedralNumerical(i, j, k, l, iGradNum, jGradNum, kGradNum, lGradNum); EXPECT_NEAR((iGrad - iGradNum).norm(), 0.0, tolerance) << "iGrad mismatch"; EXPECT_NEAR((jGrad - jGradNum).norm(), 0.0, tolerance) << "jGrad mismatch"; EXPECT_NEAR((kGrad - kGradNum).norm(), 0.0, tolerance) << "kGrad mismatch"; EXPECT_NEAR((lGrad - lGradNum).norm(), 0.0, tolerance) << "lGrad mismatch"; } }; // Angle Gradient Tests TEST_F(AngleGradientTest, StandardAngle90Degrees) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(0.0, 1.0, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); EXPECT_NEAR(angle, M_PI / 2, 1e-6); checkGradientsValid(aGrad, bGrad, cGrad); compareWithNumerical(a, b, c); } TEST_F(AngleGradientTest, StandardAngle120Degrees) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(-0.5, sqrt(3.0) / 2.0, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); EXPECT_NEAR(angle, 2 * M_PI / 3, 1e-6); checkGradientsValid(aGrad, bGrad, cGrad); compareWithNumerical(a, b, c); } TEST_F(AngleGradientTest, StandardAngle60Degrees) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(0.5, sqrt(3.0) / 2.0, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); EXPECT_NEAR(angle, M_PI / 3, 1e-6); checkGradientsValid(aGrad, bGrad, cGrad); compareWithNumerical(a, b, c); } TEST_F(AngleGradientTest, NearLinear180Degrees) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(-1.0, 0.0, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); EXPECT_NEAR(angle, 0.0, 1e-5); checkGradientsValid(aGrad, bGrad, cGrad); } TEST_F(AngleGradientTest, NearLinear179Degrees) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(-1.0, 0.01, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); checkGradientsValid(aGrad, bGrad, cGrad); compareWithNumerical(a, b, c); } TEST_F(AngleGradientTest, NearZero1Degree) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(1.0, 0.01, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); checkGradientsValid(aGrad, bGrad, cGrad); } TEST_F(AngleGradientTest, VaryingBondLengths) { std::vector bondLengths = { 0.5, 1.0, 1.5, 2.0, 3.0, 5.0 }; for (Real r1 : bondLengths) { for (Real r2 : bondLengths) { Vector3 a(r1, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(0.0, r2, 0.0); Vector3 aGrad, bGrad, cGrad; angleGradient(a, b, c, aGrad, bGrad, cGrad); checkGradientsValid(aGrad, bGrad, cGrad); compareWithNumerical(a, b, c); } } } TEST_F(AngleGradientTest, RangeOfAngles) { // Test angles from 10 to 170 degrees in 10 degree increments for (int angleDeg = 10; angleDeg <= 170; angleDeg += 10) { Real angleRad = angleDeg * DEG_TO_RAD; Vector3 a(1.5, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(1.5 * cos(angleRad), 1.5 * sin(angleRad), 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); checkGradientsValid(aGrad, bGrad, cGrad); EXPECT_NEAR(angle, angleRad, 1e-6); compareWithNumerical(a, b, c); } } TEST_F(AngleGradientTest, ThreeDimensionalAngle) { Vector3 a(1.0, 0.5, 0.3); Vector3 b(0.2, -0.1, 0.5); Vector3 c(-0.3, 0.8, -0.2); Vector3 aGrad, bGrad, cGrad; angleGradient(a, b, c, aGrad, bGrad, cGrad); checkGradientsValid(aGrad, bGrad, cGrad); compareWithNumerical(a, b, c); } TEST_F(AngleGradientTest, VeryShortBondLength) { Vector3 a(1e-4, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(0.0, 1.0, 0.0); Vector3 aGrad, bGrad, cGrad; angleGradient(a, b, c, aGrad, bGrad, cGrad); // Should handle gracefully without crashing checkGradientsValid(aGrad, bGrad, cGrad); } TEST_F(AngleGradientTest, GradientsSumToZero) { Vector3 a(1.5, 0.3, -0.2); Vector3 b(0.0, 0.0, 0.0); Vector3 c(-0.5, 1.2, 0.8); Vector3 aGrad, bGrad, cGrad; angleGradient(a, b, c, aGrad, bGrad, cGrad); // Gradients should approximately sum to zero (translation invariance) Vector3 sum = aGrad + bGrad + cGrad; EXPECT_NEAR(sum.norm(), 0.0, 1e-5); } // Dihedral Gradient Tests TEST_F(DihedralGradientTest, StandardDihedral0Degrees) { // For i(1,0,0), j(0,0,0), k(0,1,0): dihedral = atan2(-lz, lx) // phi=0 => l=(1, 1, 0). But sin(0)=0 triggers early return in // dihedralGradient, so only check angle and validity, not numerical. Vector3 i(1.0, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1.0, 0.0); Vector3 l(1.0, 1.0, 0.0); Vector3 iGrad, jGrad, kGrad, lGrad; Real phi = dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); EXPECT_NEAR(phi, 0.0, 1e-6); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); } TEST_F(DihedralGradientTest, StandardDihedral90Degrees) { Vector3 i(1.0, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1.0, 0.0); Vector3 l(0.0, 1.0, -1.0); Vector3 iGrad, jGrad, kGrad, lGrad; Real phi = dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); EXPECT_NEAR(phi, M_PI / 2, 1e-5); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); compareWithNumerical(i, j, k, l); } TEST_F(DihedralGradientTest, StandardDihedral180Degrees) { // sin(pi)=0 triggers early return, so skip numerical comparison Vector3 i(1.0, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1.0, 0.0); Vector3 l(-1.0, 1.0, 0.0); Vector3 iGrad, jGrad, kGrad, lGrad; Real phi = dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); EXPECT_NEAR(std::abs(phi), M_PI, 1e-5); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); } TEST_F(DihedralGradientTest, StandardDihedralMinus90Degrees) { Vector3 i(1.0, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1.0, 0.0); Vector3 l(0.0, 1.0, 1.0); Vector3 iGrad, jGrad, kGrad, lGrad; Real phi = dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); EXPECT_NEAR(phi, -M_PI / 2, 1e-5); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); compareWithNumerical(i, j, k, l); } TEST_F(DihedralGradientTest, RangeOfDihedrals) { // Test dihedrals from -150 to 150 degrees in 30 degree increments // Skip 0 and +/-180 where sin(phi)~0 causes gradient to be skipped for (int angleDeg = -150; angleDeg <= 150; angleDeg += 30) { if (angleDeg == 0) continue; Real angleRad = angleDeg * DEG_TO_RAD; // For i(r,0,0), j(0,0,0), k(0,r,0): dihedral = atan2(-lz, lx) // so l = (r*cos(phi), r, -r*sin(phi)) gives the desired angle Vector3 i(1.5, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1.5, 0.0); Vector3 l(1.5 * cos(angleRad), 1.5, -1.5 * sin(angleRad)); Vector3 iGrad, jGrad, kGrad, lGrad; Real phi = dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); EXPECT_NEAR(phi, angleRad, 1e-5); compareWithNumerical(i, j, k, l); } } TEST_F(DihedralGradientTest, VaryingBondLengths) { std::vector bondLengths = { 0.5, 1.0, 1.5, 2.0, 3.0 }; for (Real r1 : bondLengths) { for (Real r2 : bondLengths) { for (Real r3 : bondLengths) { Vector3 i(r1, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, r2, 0.0); Vector3 l(0.0, r2, r3); Vector3 iGrad, jGrad, kGrad, lGrad; dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); compareWithNumerical(i, j, k, l, 1e-5); } } } } TEST_F(DihedralGradientTest, NearLinearConfiguration) { // Nearly linear i-j-k angle Vector3 i(1.0, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(-1.0, 0.01, 0.0); Vector3 l(-1.0, 0.01, 1.0); Vector3 iGrad, jGrad, kGrad, lGrad; dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); } TEST_F(DihedralGradientTest, ArbitraryConfiguration) { Vector3 i(1.2, -0.5, 0.3); Vector3 j(0.1, 0.8, -0.2); Vector3 k(-0.7, 0.3, 1.1); Vector3 l(-1.3, -0.4, 0.9); Vector3 iGrad, jGrad, kGrad, lGrad; dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); checkGradientsValid(iGrad, jGrad, kGrad, lGrad); compareWithNumerical(i, j, k, l, 1e-5); } TEST_F(DihedralGradientTest, VeryShortBondLength) { Vector3 i(1e-4, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1.0, 0.0); Vector3 l(0.0, 1.0, 1.0); Vector3 iGrad, jGrad, kGrad, lGrad; dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); // Should handle gracefully checkGradientsValid(iGrad, jGrad, kGrad, lGrad); } TEST_F(DihedralGradientTest, GradientsSumToZero) { Vector3 i(1.5, 0.3, -0.2); Vector3 j(0.5, -0.1, 0.4); Vector3 k(-0.2, 0.8, 0.1); Vector3 l(-1.0, 1.2, -0.5); Vector3 iGrad, jGrad, kGrad, lGrad; dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); // Gradients should approximately sum to zero (translation invariance) Vector3 sum = iGrad + jGrad + kGrad + lGrad; EXPECT_NEAR(sum.norm(), 0.0, 1e-5); } // Out-of-Plane Gradient Tests TEST(OutOfPlaneGradientTest, BasicTest) { Vector3 a(0.0, 0.0, 0.0); Vector3 b(1.0, 0.0, 0.0); Vector3 c(0.0, 1.0, 0.0); Vector3 d(0.2, 0.1, 1.0); Vector3 aGrad, bGrad, cGrad, dGrad; Real angle = outOfPlaneGradient(a, b, c, d, aGrad, bGrad, cGrad, dGrad); (void)angle; EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); EXPECT_FALSE(hasNaNOrInf(dGrad)); Vector3 aNum, bNum, cNum, dNum; NumericalGradient::outOfPlaneNumerical(a, b, c, d, aNum, bNum, cNum, dNum); EXPECT_NEAR((aGrad - aNum).norm(), 0.0, 1e-5) << "aGrad mismatch"; EXPECT_NEAR((bGrad - bNum).norm(), 0.0, 1e-5) << "bGrad mismatch"; EXPECT_NEAR((cGrad - cNum).norm(), 0.0, 1e-5) << "cGrad mismatch"; EXPECT_NEAR((dGrad - dNum).norm(), 0.0, 1e-5) << "dGrad mismatch"; } TEST(OutOfPlaneGradientTest, ThreeDimensional) { Vector3 a(0.5, 0.5, 0.2); Vector3 b(1.0, 0.0, 0.0); Vector3 c(0.0, 1.0, 0.0); Vector3 d(0.0, 0.0, 1.0); Vector3 aGrad, bGrad, cGrad, dGrad; outOfPlaneGradient(a, b, c, d, aGrad, bGrad, cGrad, dGrad); EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); EXPECT_FALSE(hasNaNOrInf(dGrad)); Vector3 aNum, bNum, cNum, dNum; NumericalGradient::outOfPlaneNumerical(a, b, c, d, aNum, bNum, cNum, dNum); EXPECT_NEAR((aGrad - aNum).norm(), 0.0, 1e-5) << "aGrad mismatch"; EXPECT_NEAR((bGrad - bNum).norm(), 0.0, 1e-5) << "bGrad mismatch"; EXPECT_NEAR((cGrad - cNum).norm(), 0.0, 1e-5) << "cGrad mismatch"; EXPECT_NEAR((dGrad - dNum).norm(), 0.0, 1e-5) << "dGrad mismatch"; } TEST(OutOfPlaneGradientTest, NearPlanar) { // Central atom nearly in the plane of b, c, d for (Real offset = 1e-6; offset < 0.1; offset *= 10) { Vector3 a(0.0, 0.0, offset); Vector3 b(1.0, 0.0, 0.0); Vector3 c(0.0, 1.0, 0.0); Vector3 d(-1.0, -1.0, 0.0); Vector3 aGrad, bGrad, cGrad, dGrad; Real angle = outOfPlaneGradient(a, b, c, d, aGrad, bGrad, cGrad, dGrad); EXPECT_FALSE(std::isnan(angle)); EXPECT_FALSE(std::isinf(angle)); EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); EXPECT_FALSE(hasNaNOrInf(dGrad)); Vector3 aNum, bNum, cNum, dNum; NumericalGradient::outOfPlaneNumerical(a, b, c, d, aNum, bNum, cNum, dNum); EXPECT_NEAR((aGrad - aNum).norm(), 0.0, 1e-4) << "aGrad mismatch at offset " << offset; EXPECT_NEAR((bGrad - bNum).norm(), 0.0, 1e-4) << "bGrad mismatch at offset " << offset; EXPECT_NEAR((cGrad - cNum).norm(), 0.0, 1e-4) << "cGrad mismatch at offset " << offset; EXPECT_NEAR((dGrad - dNum).norm(), 0.0, 1e-4) << "dGrad mismatch at offset " << offset; } } TEST(OutOfPlaneGradientTest, VaryingBondLengths) { std::vector bondLengths = { 0.5, 1.0, 1.5, 2.0, 3.0 }; for (Real r1 : bondLengths) { for (Real r2 : bondLengths) { for (Real r3 : bondLengths) { Vector3 a(0.0, 0.0, 0.3); Vector3 b(r1, 0.0, 0.0); Vector3 c(0.0, r2, 0.0); Vector3 d(-r3, -r3, 0.0); Vector3 aGrad, bGrad, cGrad, dGrad; outOfPlaneGradient(a, b, c, d, aGrad, bGrad, cGrad, dGrad); EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); EXPECT_FALSE(hasNaNOrInf(dGrad)); Vector3 aNum, bNum, cNum, dNum; NumericalGradient::outOfPlaneNumerical(a, b, c, d, aNum, bNum, cNum, dNum); EXPECT_NEAR((aGrad - aNum).norm(), 0.0, 1e-4) << "aGrad mismatch"; EXPECT_NEAR((bGrad - bNum).norm(), 0.0, 1e-4) << "bGrad mismatch"; EXPECT_NEAR((cGrad - cNum).norm(), 0.0, 1e-4) << "cGrad mismatch"; EXPECT_NEAR((dGrad - dNum).norm(), 0.0, 1e-4) << "dGrad mismatch"; } } } } TEST(OutOfPlaneGradientTest, RangeOfAngles) { // Vary the out-of-plane displacement from small to large for (int angleDeg = 5; angleDeg <= 85; angleDeg += 10) { Real z = sin(angleDeg * DEG_TO_RAD); Real r = cos(angleDeg * DEG_TO_RAD); Vector3 a(r, 0.0, z); Vector3 b(1.0, 0.0, 0.0); Vector3 c(0.0, 1.0, 0.0); Vector3 d(-1.0, -1.0, 0.0); Vector3 aGrad, bGrad, cGrad, dGrad; outOfPlaneGradient(a, b, c, d, aGrad, bGrad, cGrad, dGrad); EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); EXPECT_FALSE(hasNaNOrInf(dGrad)); Vector3 aNum, bNum, cNum, dNum; NumericalGradient::outOfPlaneNumerical(a, b, c, d, aNum, bNum, cNum, dNum); EXPECT_NEAR((aGrad - aNum).norm(), 0.0, 1e-4) << "mismatch at " << angleDeg << " deg"; EXPECT_NEAR((bGrad - bNum).norm(), 0.0, 1e-4) << "mismatch at " << angleDeg << " deg"; EXPECT_NEAR((cGrad - cNum).norm(), 0.0, 1e-4) << "mismatch at " << angleDeg << " deg"; EXPECT_NEAR((dGrad - dNum).norm(), 0.0, 1e-4) << "mismatch at " << angleDeg << " deg"; } } TEST(OutOfPlaneGradientTest, GradientsSumToZero) { Vector3 a(0.2, 0.3, 0.5); Vector3 b(1.5, 0.1, -0.1); Vector3 c(-0.3, 1.2, 0.1); Vector3 d(-0.5, -0.8, 0.2); Vector3 aGrad, bGrad, cGrad, dGrad; outOfPlaneGradient(a, b, c, d, aGrad, bGrad, cGrad, dGrad); // Gradients should approximately sum to zero (translation invariance) Vector3 sum = aGrad + bGrad + cGrad + dGrad; EXPECT_NEAR(sum.norm(), 0.0, 1e-5); } // Stress tests with extreme values TEST(GradientStressTest, AngleWithLargeBondLengths) { Vector3 a(1000.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(0.0, 1000.0, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); EXPECT_FALSE(std::isnan(angle)); EXPECT_FALSE(std::isinf(angle)); EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); } TEST(GradientStressTest, DihedralWithLargeBondLengths) { Vector3 i(1000.0, 0.0, 0.0); Vector3 j(0.0, 0.0, 0.0); Vector3 k(0.0, 1000.0, 0.0); Vector3 l(0.0, 1000.0, 1000.0); Vector3 iGrad, jGrad, kGrad, lGrad; Real phi = dihedralGradient(i, j, k, l, iGrad, jGrad, kGrad, lGrad); EXPECT_FALSE(std::isnan(phi)); EXPECT_FALSE(std::isinf(phi)); EXPECT_FALSE(hasNaNOrInf(iGrad)); EXPECT_FALSE(hasNaNOrInf(jGrad)); EXPECT_FALSE(hasNaNOrInf(kGrad)); EXPECT_FALSE(hasNaNOrInf(lGrad)); } TEST(GradientStressTest, AngleNearCollinear) { // Test multiple configurations near 180 degrees for (Real offset = 1e-6; offset < 0.1; offset *= 10) { Vector3 a(1.0, 0.0, 0.0); Vector3 b(0.0, 0.0, 0.0); Vector3 c(-1.0, offset, 0.0); Vector3 aGrad, bGrad, cGrad; Real angle = angleGradient(a, b, c, aGrad, bGrad, cGrad); EXPECT_FALSE(std::isnan(angle)); EXPECT_FALSE(std::isinf(angle)); EXPECT_FALSE(hasNaNOrInf(aGrad)); EXPECT_FALSE(hasNaNOrInf(bGrad)); EXPECT_FALSE(hasNaNOrInf(cGrad)); } } OpenChemistry-avogadrolibs-ceb949f/tests/calc/lennardjonestest.cpp000066400000000000000000000030061516317240700256230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using namespace Avogadro::Calc; using namespace Avogadro::Core; using namespace Avogadro; TEST(LennardJonesTest, EvaluateMatchesValueAndGradient) { Molecule molecule; molecule.addAtom(6); molecule.addAtom(8); molecule.addAtom(1); LennardJones calculator; calculator.setMolecule(&molecule); Eigen::VectorXd positions(9); positions << 0.0, 0.0, 0.0, 1.45, 0.2, 0.1, -0.4, 1.1, -0.2; const Real expectedEnergy = calculator.value(positions); Eigen::VectorXd expectedGradient = Eigen::VectorXd::Zero(positions.size()); calculator.gradient(positions, expectedGradient); Eigen::VectorXd fusedGradient(1); // intentional wrong size to validate resize const Real fusedEnergy = calculator.evaluate(positions, &fusedGradient); EXPECT_NEAR(fusedEnergy, expectedEnergy, std::max(1e-10, 1e-12 * std::fabs(expectedEnergy))); ASSERT_EQ(fusedGradient.size(), expectedGradient.size()); for (int i = 0; i < expectedGradient.size(); ++i) { EXPECT_NEAR(fusedGradient[i], expectedGradient[i], std::max(1e-10, 1e-9 * std::fabs(expectedGradient[i]))); } } OpenChemistry-avogadrolibs-ceb949f/tests/calc/ufftest.cpp000066400000000000000000000075011516317240700237250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "calctests.h" #include #include #include #include #include #include #include #include using namespace Avogadro::Calc; using namespace Avogadro::Core; using namespace Avogadro; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::XyzFormat; // basic idea - go through a bunch of molecules // calculate gradients and numeric gradients // make sure the gradients are close for each atom // Use a parameterized test fixture class UffGradientTest : public ::testing::TestWithParam {}; // Parameterized test that works with any molecule file TEST_P(UffGradientTest, GradientComparison) { const char* filename = GetParam(); XyzFormat xyz; Molecule molecule; std::string filepath = std::string(AVOGADRO_DATA) + "/data/xyz/" + filename; EXPECT_TRUE(xyz.readFile(filepath, molecule)); ASSERT_EQ(xyz.error(), std::string()); ASSERT_GT(molecule.atomCount(), 0); UFF uff; uff.setMolecule(&molecule); // get the positions unsigned int n = molecule.atomCount(); Core::Array pos = molecule.atomPositions3d(); double* p = pos[0].data(); Eigen::Map positions(p, 3 * n); Eigen::VectorXd analytical = Eigen::VectorXd::Zero(3 * n); Eigen::VectorXd numeric = Eigen::VectorXd::Zero(3 * n); uff.gradient(positions, analytical); uff.finiteGradient(positions, numeric); // assert that the components of each are finite ASSERT_TRUE(analytical.allFinite()); ASSERT_TRUE(numeric.allFinite()); // check numeric to analytic gradient for all atoms in a molecule for (int i = 0; i < 3 * n; i++) { // are these components within 10% of each other? EXPECT_NEAR(analytical[i], numeric[i], std::max(2.5e-5, 0.1 * std::fabs(analytical[i]))); } } TEST_P(UffGradientTest, EvaluateMatchesValueAndGradient) { const char* filename = GetParam(); XyzFormat xyz; Molecule molecule; std::string filepath = std::string(AVOGADRO_DATA) + "/data/xyz/" + filename; EXPECT_TRUE(xyz.readFile(filepath, molecule)); ASSERT_EQ(xyz.error(), std::string()); ASSERT_GT(molecule.atomCount(), 0); UFF uff; uff.setMolecule(&molecule); const unsigned int n = molecule.atomCount(); Core::Array pos = molecule.atomPositions3d(); double* p = pos[0].data(); Eigen::Map positions(p, 3 * n); const Real expectedEnergy = uff.value(positions); Eigen::VectorXd expectedGradient = Eigen::VectorXd::Zero(3 * n); uff.gradient(positions, expectedGradient); Eigen::VectorXd fusedGradient(1); // intentional wrong size to validate resize const Real fusedEnergy = uff.evaluate(positions, &fusedGradient); EXPECT_NEAR(fusedEnergy, expectedEnergy, std::max(1e-8, 1e-10 * std::fabs(expectedEnergy))); ASSERT_EQ(fusedGradient.size(), expectedGradient.size()); for (int i = 0; i < expectedGradient.size(); ++i) { EXPECT_NEAR(fusedGradient[i], expectedGradient[i], std::max(1e-7, 1e-8 * std::fabs(expectedGradient[i]))); } } // Instantiate the test suite with different molecule files INSTANTIATE_TEST_SUITE_P( UffTest, UffGradientTest, ::testing::Values("acetylene.xyz", "c2h2f2.xyz", "methane.xyz", "formaldehyde.xyz", "H2O.xyz", "H2S.xyz", "H2Se.xyz", "hooh.xyz", "PF5.xyz", "SF4.xyz", "SF6.xyz", "XeF4.xyz" // Add more molecule files here as needed )); OpenChemistry-avogadrolibs-ceb949f/tests/core/000077500000000000000000000000001516317240700215645ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/core/CMakeLists.txt000066400000000000000000000037461516317240700243360ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests AngleIterator Array Atom AtomTyper BasisSet Bond CoordinateBlockGenerator CoordinateSet Cube DihedralIterator Eigen Element GaussianSet Graph InternalCoordinates Mesh Molecule Mutex NeighborPerceiver Residue RingPerceiver SecondaryStructure Utilities UnitCell Variant VariantMap ) if(USE_SPGLIB) list(APPEND tests SpaceGroup) endif() # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroTests ${testSrcs}) target_link_libraries(AvogadroTests Avogadro::Core ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "Core-${TestName}" COMMAND AvogadroTests "--gtest_filter=${TestName}Test.*") endforeach() if (DEFINED ENV{LIB_FUZZING_ENGINE}) option(ENABLE_FUZZ "Enable fuzz testing." ON) else() option(ENABLE_FUZZ "Enable fuzz testing." OFF) endif() if(ENABLE_FUZZ OR DEFINED ENV{LIB_FUZZING_ENGINE}) set(core_fuzz array bond crystal graph molecule neighbor residue ring secondarystructure utilities variant variantmap) foreach(fuzzName ${core_fuzz}) add_executable(fuzz_core_${fuzzName} fuzz-${fuzzName}.cpp) if(DEFINED ENV{LIB_FUZZING_ENGINE}) target_link_libraries(fuzz_core_${fuzzName} PRIVATE Avogadro::Core $ENV{LIB_FUZZING_ENGINE}) else() target_compile_options(fuzz_core_${fuzzName} PRIVATE -g -fsanitize=fuzzer) target_link_options(fuzz_core_${fuzzName} PRIVATE -fsanitize=fuzzer) target_link_libraries(fuzz_core_${fuzzName} PRIVATE Avogadro::Core) endif() endforeach() endif() OpenChemistry-avogadrolibs-ceb949f/tests/core/angleiteratortest.cpp000066400000000000000000000063331516317240700260350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Index; using Avogadro::Core::Angle; using Avogadro::Core::AngleIterator; using Avogadro::Core::Molecule; namespace { int countAngles(const Molecule& mol) { AngleIterator it(&mol); Angle angle = it.begin(); AngleIterator endIt(&mol); Angle end = endIt.end(); int count = 0; while (angle != end) { ++count; angle = ++it; } return count; } } // namespace TEST(AngleIteratorTest, emptyMolecule) { Molecule mol; EXPECT_EQ(countAngles(mol), 0); } TEST(AngleIteratorTest, singleAtom) { Molecule mol; mol.addAtom(6); EXPECT_EQ(countAngles(mol), 0); } TEST(AngleIteratorTest, twoAtoms) { // Just one bond, not enough for an angle Molecule mol; mol.addAtom(6); mol.addAtom(6); mol.addBond(mol.atom(0), mol.atom(1), 1); EXPECT_EQ(countAngles(mol), 0); } TEST(AngleIteratorTest, water) { // O bonded to 2 H: one angle H-O-H Molecule mol; mol.addAtom(8); // O, index 0 mol.addAtom(1); // H, index 1 mol.addAtom(1); // H, index 2 mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(0), mol.atom(2), 1); EXPECT_EQ(countAngles(mol), 1); } TEST(AngleIteratorTest, propane) { // C0-C1-C2: middle atom has 2 neighbors -> 1 angle Molecule mol; mol.addAtom(6); mol.addAtom(6); mol.addAtom(6); mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); EXPECT_EQ(countAngles(mol), 1); } TEST(AngleIteratorTest, methane) { // C bonded to 4 H: C(4,2) = 6 angles Molecule mol; mol.addAtom(6); // C, index 0 mol.addAtom(1); // H, index 1 mol.addAtom(1); // H, index 2 mol.addAtom(1); // H, index 3 mol.addAtom(1); // H, index 4 mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(0), mol.atom(2), 1); mol.addBond(mol.atom(0), mol.atom(3), 1); mol.addBond(mol.atom(0), mol.atom(4), 1); EXPECT_EQ(countAngles(mol), 6); } TEST(AngleIteratorTest, benzene) { // Each C in benzene has 2 neighbors -> 1 angle per C -> 6 angles total Molecule mol; for (int i = 0; i < 6; ++i) mol.addAtom(6); mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); mol.addBond(mol.atom(2), mol.atom(3), 1); mol.addBond(mol.atom(3), mol.atom(4), 1); mol.addBond(mol.atom(4), mol.atom(5), 1); mol.addBond(mol.atom(5), mol.atom(0), 1); EXPECT_EQ(countAngles(mol), 6); } TEST(AngleIteratorTest, neopentane) { // Central C bonded to 4 C atoms: C(4,2) = 6 angles at center // Each terminal C has only 1 neighbor, so no angles there Molecule mol; mol.addAtom(6); // central, index 0 mol.addAtom(6); // index 1 mol.addAtom(6); // index 2 mol.addAtom(6); // index 3 mol.addAtom(6); // index 4 mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(0), mol.atom(2), 1); mol.addBond(mol.atom(0), mol.atom(3), 1); mol.addBond(mol.atom(0), mol.atom(4), 1); EXPECT_EQ(countAngles(mol), 6); } OpenChemistry-avogadrolibs-ceb949f/tests/core/arraytest.cpp000066400000000000000000000053501516317240700243110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Array; TEST(ArrayTest, setSize) { Array array; EXPECT_EQ(array.size(), static_cast(0)); array.resize(2); EXPECT_EQ(array.size(), static_cast(2)); } TEST(ArrayTest, isEmpty) { Array array; EXPECT_TRUE(array.empty()); } TEST(ArrayTest, push_back) { Array array; array.push_back(6); EXPECT_EQ(array.size(), static_cast(1)); array.push_back(9); EXPECT_EQ(array.size(), static_cast(2)); } TEST(ArrayTest, clear) { Array array; array.push_back(6); EXPECT_EQ(array.size(), static_cast(1)); array.push_back(9); EXPECT_EQ(array.size(), static_cast(2)); array.clear(); EXPECT_EQ(array.size(), static_cast(0)); } TEST(ArrayTest, detach) { // Verify the data pointers match for the two arrays. Array array(5); Array array2 = array; EXPECT_EQ(array.constData(), array2.constData()); // After detaching the data pointers should differ. array2.detach(); EXPECT_NE(array.constData(), array2.constData()); } TEST(ArrayTest, implicitDetach) { Array array(5, 3); array[2] = 666; Array array2 = array; EXPECT_EQ(array.constData(), array2.constData()); EXPECT_EQ(array.at(0), 3); EXPECT_EQ(array2.at(0), 3); EXPECT_EQ(array.at(2), 666); EXPECT_EQ(array2.at(2), 666); // Now change some values, these should not be visible to the other instance. array[0] = 1; array2[2] = 42; EXPECT_NE(array.constData(), array2.constData()); EXPECT_EQ(array.at(0), 1); EXPECT_EQ(array2.at(0), 3); EXPECT_EQ(array.at(2), 666); EXPECT_EQ(array2.at(2), 42); } TEST(ArrayTest, operators) { Array a1; Array a2; for (int i = 0; i < 10; ++i) { a1.push_back(i); a2.push_back(i * 10); } Array a1c(a1); EXPECT_TRUE(a1 == a1c); EXPECT_TRUE(a1 != a2); EXPECT_TRUE(a1 < a2); EXPECT_TRUE(a1 <= a1c); EXPECT_TRUE(a2 > a1); EXPECT_TRUE(a1 >= a1c); using std::swap; swap(a1, a2); EXPECT_TRUE(a2 == a1c); } TEST(ArrayTest, swapAndPopDetaches) { Array a1; a1.push_back(1); a1.push_back(2); a1.push_back(3); Array a2 = a1; EXPECT_EQ(a1.constData(), a2.constData()); a1.swapAndPop(0); EXPECT_NE(a1.constData(), a2.constData()); EXPECT_EQ(a1.size(), static_cast(2)); EXPECT_EQ(a2.size(), static_cast(3)); EXPECT_EQ(a2.at(0), 1); EXPECT_EQ(a2.at(1), 2); EXPECT_EQ(a2.at(2), 3); } OpenChemistry-avogadrolibs-ceb949f/tests/core/atomtest.cpp000066400000000000000000000052551516317240700241370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Vector2; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; TEST(AtomTest, setAtomicNumber) { Molecule molecule; Atom atom = molecule.addAtom(1); EXPECT_TRUE(atom.isValid()); EXPECT_EQ(atom.atomicNumber(), 1); // change the atom's atomic number atom.setAtomicNumber(6); EXPECT_EQ(atom.atomicNumber(), 6); } TEST(AtomTest, setAtomPosition2d) { Molecule molecule; Atom atom = molecule.addAtom(1); // Should return a zero vector if the position has not been set. EXPECT_EQ(atom.position2d().x(), 0.0); EXPECT_EQ(atom.position2d().y(), 0.0); // Now set the position and verify it was stored correctly. atom.setPosition2d(Vector2(0.5, 1.0)); EXPECT_EQ(atom.position2d().x(), 0.5); EXPECT_EQ(atom.position2d().y(), 1.0); // Try with a second atom, confirm no cross over with the first too. Atom atom2 = molecule.addAtom(6); atom2.setPosition2d(Vector2(0.42, 3.14)); EXPECT_EQ(atom.position2d().x(), 0.5); EXPECT_EQ(atom.position2d().y(), 1.0); EXPECT_EQ(atom2.position2d().x(), 0.42); EXPECT_EQ(atom2.position2d().y(), 3.14); } TEST(AtomTest, setAtomPosition3d) { Molecule molecule; Atom atom = molecule.addAtom(1); // Should return a zero vector if the position has not been set. EXPECT_EQ(atom.position3d().x(), 0.0); EXPECT_EQ(atom.position3d().y(), 0.0); EXPECT_EQ(atom.position3d().z(), 0.0); // Now set the position and verify it was stored correctly. atom.setPosition3d(Vector3(0.5, 1.0, 1.5)); EXPECT_EQ(atom.position3d().x(), 0.5); EXPECT_EQ(atom.position3d().y(), 1.0); EXPECT_EQ(atom.position3d().z(), 1.5); // Try with a second atom, confirm no cross over with the first too. Atom atom2 = molecule.addAtom(6); atom2.setPosition3d(Vector3(0.42, 3.14, 6.66)); EXPECT_EQ(atom.position3d().x(), 0.5); EXPECT_EQ(atom.position3d().y(), 1.0); EXPECT_EQ(atom.position3d().z(), 1.5); EXPECT_EQ(atom2.position3d().x(), 0.42); EXPECT_EQ(atom2.position3d().y(), 3.14); EXPECT_EQ(atom2.position3d().z(), 6.66); } TEST(AtomTest, operators) { Molecule molecule; Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(2); EXPECT_TRUE(atom1 == molecule.atom(0)); EXPECT_FALSE(atom1 != molecule.atom(0)); EXPECT_TRUE(atom1 != molecule.atom(1)); EXPECT_FALSE(atom1 == molecule.atom(1)); EXPECT_TRUE(atom1 != atom2); } OpenChemistry-avogadrolibs-ceb949f/tests/core/atomtypertest.cpp000066400000000000000000000061611516317240700252200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include using namespace Avogadro::Core; TEST(AtomTyperTest, singleAtomTyping) { Molecule molecule; Array ref; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { molecule.addAtom(i); ref.push_back(Elements::mass(i)); } class MassTyper : public AtomTyper { public: MassTyper() : AtomTyper(nullptr) {} Array& typesRef() { return m_types; } protected: double type(const Atom& atom) override { return Elements::mass(atom.atomicNumber()); } } typer; typer.setMolecule(&molecule); // Check that the single atom typing method works as expected for (Avogadro::Index i = 0; i < molecule.atomCount(); ++i) { EXPECT_EQ(ref[i], typer.atomType(molecule.atom(i))) << "run(Atom): Mismatch at index " << i; } // Verify that we haven't populated the internal array EXPECT_TRUE(typer.types().empty()); // Fill the internal array. typer.run(); Array output(typer.types()); // Verify the internal array ASSERT_EQ(ref.size(), output.size()); for (size_t i = 0; i < ref.size(); ++i) EXPECT_EQ(ref[i], output[i]) << "run(): Mismatch at index " << i; // Change a type and verify that we get the cached result from run(Atom). const double testVal = -192.34; typer.typesRef()[4] = testVal; EXPECT_EQ(testVal, typer.atomType(molecule.atom(4))) << "Failed getting cached result."; } TEST(AtomTyperTest, resetOnMoleculeChange) { Molecule molecule1; Molecule molecule2; molecule1.addAtom(1); molecule2.addAtom(1); NameAtomTyper typer(&molecule1); typer.run(); EXPECT_EQ(1, typer.types().size()); typer.setMolecule(&molecule2); EXPECT_EQ(0, typer.types().size()); } TEST(AtomTyperTest, nameAtomTyper) { Molecule molecule; Array ref; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { molecule.addAtom(i); ref.push_back(Elements::name(i)); } NameAtomTyper typer(&molecule); typer.run(); Array output(typer.types()); ASSERT_EQ(ref.size(), output.size()); for (size_t i = 0; i < ref.size(); ++i) { EXPECT_EQ(ref[i], output[i]) << "Mismatch at index " << i; } } TEST(AtomTyperTest, symbolAtomTyper) { Molecule molecule; Array ref; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { molecule.addAtom(i); ref.push_back(Elements::symbol(i)); } SymbolAtomTyper typer(&molecule); typer.run(); Array output(typer.types()); ASSERT_EQ(ref.size(), output.size()); for (size_t i = 0; i < ref.size(); ++i) EXPECT_EQ(ref[i], output[i]) << "Mismatch at index " << i; } OpenChemistry-avogadrolibs-ceb949f/tests/core/basissettest.cpp000066400000000000000000000021201516317240700250000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::BasisSet; using Avogadro::Core::SlaterSet; TEST(BasisSetTest, homo) { SlaterSet basis; basis.setElectronCount(2, BasisSet::Paired); EXPECT_EQ(basis.homo(), 1); // EXPECT_TRUE(basis.homo(basis.homo())); EXPECT_EQ(basis.lumo(), 2); // EXPECT_TRUE(basis.lumo(basis.lumo())); basis = SlaterSet(); basis.setElectronCount(2, BasisSet::Alpha); basis.setElectronCount(1, BasisSet::Beta); EXPECT_EQ(basis.homo(), 1); // EXPECT_TRUE(basis.homo(basis.homo())); // This is broken: the lumo could be either the // next alpha or the next beta depending on the // energetics of the system // EXPECT_EQ(basis.lumo(), 2); // EXPECT_TRUE(basis.lumo(basis.lumo())); } OpenChemistry-avogadrolibs-ceb949f/tests/core/bondtest.cpp000066400000000000000000000022221516317240700241100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; TEST(BondTest, setOrder) { Molecule molecule; Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bond = molecule.addBond(a, b); EXPECT_EQ(bond.order(), 1); // change the bonds's order bond.setOrder(2); EXPECT_EQ(bond.order(), 2); } TEST(BondTest, operators) { Molecule molecule; Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(2); Atom atom3 = molecule.addAtom(3); Bond bond1 = molecule.addBond(atom1, atom2, 1); Bond bond2 = molecule.addBond(atom2, atom3, 2); EXPECT_TRUE(bond1 == molecule.bond(0)); EXPECT_FALSE(bond1 != molecule.bond(0)); EXPECT_TRUE(bond1 != molecule.bond(1)); EXPECT_FALSE(bond1 == molecule.bond(1)); EXPECT_TRUE(bond1 != bond2); } OpenChemistry-avogadrolibs-ceb949f/tests/core/coordinateblockgeneratortest.cpp000066400000000000000000000447061516317240700302540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::CoordinateBlockGenerator; using Avogadro::Core::Elements; using Avogadro::Core::Molecule; namespace { const std::string refCoordBlock("1 0 0.0 Xx Dummy 2.776264 " " 5.085929 7.395591 0 1 0 1\n" "2 1 1.0 H Hydrogen 3.219533 " " 5.739168 8.258798 0 1 0 1\n" "3 2 2.0 He Helium 3.662802 " " 6.392406 9.122004 0 1 0 1\n" "4 3 3.0 Li Lithium 4.106072 " " 7.045645 9.985210 0 1 0 1\n" "5 4 4.0 Be Beryllium 4.549341 " " 7.698883 10.848417 0 1 0 1\n" "6 5 5.0 B Boron 4.992610 " " 8.352122 11.711623 0 1 0 1\n" "7 6 6.0 C Carbon 5.435879 " " 9.005360 12.574829 0 1 0 1\n" "8 7 7.0 N Nitrogen 5.879148 " " 9.658599 13.438036 0 1 0 1\n" "9 8 8.0 O Oxygen 6.322417 " "10.311837 14.301242 0 1 0 1\n" "10 9 9.0 F Fluorine 6.765686 " "10.965076 15.164448 0 1 0 1\n" "11 10 10.0 Ne Neon 7.208955 " "11.618314 16.027655 0 1 0 1\n" "12 11 11.0 Na Sodium 7.652224 " "12.271553 16.890861 0 1 0 1\n" "13 12 12.0 Mg Magnesium 8.095493 " "12.924791 17.754067 0 1 0 1\n" "14 13 13.0 Al Aluminium 8.538762 " "13.578030 18.617274 0 1 0 1\n" "15 14 14.0 Si Silicon 8.982031 " "14.231268 19.480480 0 1 0 1\n" "16 15 15.0 P Phosphorus 9.425300 " "14.884506 20.343687 0 1 0 1\n" "17 16 16.0 S Sulfur 9.868570 " "15.537745 21.206893 0 1 0 1\n" "18 17 17.0 Cl Chlorine 10.311839 " "16.190983 22.070099 0 1 0 1\n" "19 18 18.0 Ar Argon 10.755108 " "16.844222 22.933306 0 1 0 1\n" "20 19 19.0 K Potassium 11.198377 " "17.497460 23.796512 0 1 0 1\n" "21 20 20.0 Ca Calcium 11.641646 " "18.150699 24.659718 0 1 0 1\n" "22 21 21.0 Sc Scandium 12.084915 " "18.803937 25.522925 0 1 0 1\n" "23 22 22.0 Ti Titanium 12.528184 " "19.457176 26.386131 0 1 0 1\n" "24 23 23.0 V Vanadium 12.971453 " "20.110414 27.249337 0 1 0 1\n" "25 24 24.0 Cr Chromium 13.414722 " "20.763653 28.112544 0 1 0 1\n" "26 25 25.0 Mn Manganese 13.857991 " "21.416891 28.975750 0 1 0 1\n" "27 26 26.0 Fe Iron 14.301260 " "22.070130 29.838956 0 1 0 1\n" "28 27 27.0 Co Cobalt 14.744529 " "22.723368 30.702163 0 1 0 1\n" "29 28 28.0 Ni Nickel 15.187799 " "23.376607 31.565369 0 1 0 1\n" "30 29 29.0 Cu Copper 15.631068 " "24.029845 32.428576 0 1 0 1\n" "31 30 30.0 Zn Zinc 16.074337 " "24.683084 33.291782 0 1 0 1\n" "32 31 31.0 Ga Gallium 16.517606 " "25.336322 34.154988 0 1 0 1\n" "33 32 32.0 Ge Germanium 16.960875 " "25.989561 35.018195 0 1 0 1\n" "34 33 33.0 As Arsenic 17.404144 " "26.642799 35.881401 0 1 0 1\n" "35 34 34.0 Se Selenium 17.847413 " "27.296038 36.744607 0 1 0 1\n" "36 35 35.0 Br Bromine 18.290682 " "27.949276 37.607814 0 1 0 1\n" "37 36 36.0 Kr Krypton 18.733951 " "28.602515 38.471020 0 1 0 1\n" "38 37 37.0 Rb Rubidium 19.177220 " "29.255753 39.334226 0 1 0 1\n" "39 38 38.0 Sr Strontium 19.620489 " "29.908992 40.197433 0 1 0 1\n" "40 39 39.0 Y Yttrium 20.063758 " "30.562230 41.060639 0 1 0 1\n" "41 40 40.0 Zr Zirconium 20.507027 " "31.215468 41.923845 0 1 0 1\n" "42 41 41.0 Nb Niobium 20.950297 " "31.868707 42.787052 0 1 0 1\n" "43 42 42.0 Mo Molybdenum 21.393566 " "32.521945 43.650258 0 1 0 1\n" "44 43 43.0 Tc Technetium 21.836835 " "33.175184 44.513465 0 1 0 1\n" "45 44 44.0 Ru Ruthenium 22.280104 " "33.828422 45.376671 0 1 0 1\n" "46 45 45.0 Rh Rhodium 22.723373 " "34.481661 46.239877 0 1 0 1\n" "47 46 46.0 Pd Palladium 23.166642 " "35.134899 47.103084 0 1 0 1\n" "48 47 47.0 Ag Silver 23.609911 " "35.788138 47.966290 0 1 0 1\n" "49 48 48.0 Cd Cadmium 24.053180 " "36.441376 48.829496 0 1 0 1\n" "50 49 49.0 In Indium 24.496449 " "37.094615 49.692703 0 1 0 1\n" "51 50 50.0 Sn Tin 24.939718 " "37.747853 50.555909 0 1 0 1\n" "52 51 51.0 Sb Antimony 25.382987 " "38.401092 51.419115 0 1 0 1\n" "53 52 52.0 Te Tellurium 25.826256 " "39.054330 52.282322 0 1 0 1\n" "54 53 53.0 I Iodine 26.269525 " "39.707569 53.145528 0 1 0 1\n" "55 54 54.0 Xe Xenon 26.712795 " "40.360807 54.008734 0 1 0 1\n" "56 55 55.0 Cs Caesium 27.156064 " "41.014046 54.871941 0 1 0 1\n" "57 56 56.0 Ba Barium 27.599333 " "41.667284 55.735147 0 1 0 1\n" "58 57 57.0 La Lanthanum 28.042602 " "42.320523 56.598354 0 1 0 1\n" "59 58 58.0 Ce Cerium 28.485871 " "42.973761 57.461560 0 1 0 1\n" "60 59 59.0 Pr Praseodymium 28.929140 " "43.627000 58.324766 0 1 0 1\n" "61 60 60.0 Nd Neodymium 29.372409 " "44.280238 59.187973 0 1 0 1\n" "62 61 61.0 Pm Promethium 29.815678 " "44.933477 60.051179 0 1 0 1\n" "63 62 62.0 Sm Samarium 30.258947 " "45.586715 60.914385 0 1 0 1\n" "64 63 63.0 Eu Europium 30.702216 " "46.239954 61.777592 0 1 0 1\n" "65 64 64.0 Gd Gadolinium 31.145485 " "46.893192 62.640798 0 1 0 1\n" "66 65 65.0 Tb Terbium 31.588754 " "47.546430 63.504004 0 1 0 1\n" "67 66 66.0 Dy Dysprosium 32.032023 " "48.199669 64.367211 0 1 0 1\n" "68 67 67.0 Ho Holmium 32.475293 " "48.852907 65.230417 0 1 0 1\n" "69 68 68.0 Er Erbium 32.918562 " "49.506146 66.093623 0 1 0 1\n" "70 69 69.0 Tm Thulium 33.361831 " "50.159384 66.956830 0 1 0 1\n" "71 70 70.0 Yb Ytterbium 33.805100 " "50.812623 67.820036 0 1 0 1\n" "72 71 71.0 Lu Lutetium 34.248369 " "51.465861 68.683242 0 1 0 1\n" "73 72 72.0 Hf Hafnium 34.691638 " "52.119100 69.546449 0 1 0 1\n" "74 73 73.0 Ta Tantalum 35.134907 " "52.772338 70.409655 0 1 0 1\n" "75 74 74.0 W Tungsten 35.578176 " "53.425577 71.272862 0 1 0 1\n" "76 75 75.0 Re Rhenium 36.021445 " "54.078815 72.136068 0 1 0 1\n" "77 76 76.0 Os Osmium 36.464714 " "54.732054 72.999274 0 1 0 1\n" "78 77 77.0 Ir Iridium 36.907983 " "55.385292 73.862481 0 1 0 1\n" "79 78 78.0 Pt Platinum 37.351252 " "56.038531 74.725687 0 1 0 1\n" "80 79 79.0 Au Gold 37.794522 " "56.691769 75.588893 0 1 0 1\n" "81 80 80.0 Hg Mercury 38.237791 " "57.345008 76.452100 0 1 0 1\n" "82 81 81.0 Tl Thallium 38.681060 " "57.998246 77.315306 0 1 0 1\n" "83 82 82.0 Pb Lead 39.124329 " "58.651485 78.178512 0 1 0 1\n" "84 83 83.0 Bi Bismuth 39.567598 " "59.304723 79.041719 0 1 0 1\n" "85 84 84.0 Po Polonium 40.010867 " "59.957962 79.904925 0 1 0 1\n" "86 85 85.0 At Astatine 40.454136 " "60.611200 80.768131 0 1 0 1\n" "87 86 86.0 Rn Radon 40.897405 " "61.264439 81.631338 0 1 0 1\n" "88 87 87.0 Fr Francium 41.340674 " "61.917677 82.494544 0 1 0 1\n" "89 88 88.0 Ra Radium 41.783943 " "62.570916 83.357751 0 1 0 1\n" "90 89 89.0 Ac Actinium 42.227212 " "63.224154 84.220957 0 1 0 1\n" "91 90 90.0 Th Thorium 42.670481 " "63.877392 85.084163 0 1 0 1\n" "92 91 91.0 Pa Protactinium 43.113750 " "64.530631 85.947370 0 1 0 1\n" "93 92 92.0 U Uranium 43.557020 " "65.183869 86.810576 0 1 0 1\n" "94 93 93.0 Np Neptunium 44.000289 " "65.837108 87.673782 0 1 0 1\n" "95 94 94.0 Pu Plutonium 44.443558 " "66.490346 88.536989 0 1 0 1\n" "96 95 95.0 Am Americium 44.886827 " "67.143585 89.400195 0 1 0 1\n" "97 96 96.0 Cm Curium 45.330096 " "67.796823 90.263401 0 1 0 1\n" "98 97 97.0 Bk Berkelium 45.773365 " "68.450062 91.126608 0 1 0 1\n" "99 98 98.0 Cf Californium 46.216634 " "69.103300 91.989814 0 1 0 1\n" "100 99 99.0 Es Einsteinium 46.659903 " "69.756539 92.853020 0 1 0 1\n" "101 100 100.0 Fm Fermium 47.103172 " "70.409777 93.716227 0 1 0 1\n" "102 101 101.0 Md Mendelevium 47.546441 " "71.063016 94.579433 0 1 0 1\n" "103 102 102.0 No Nobelium 47.989710 " "71.716254 95.442640 0 1 0 1\n" "104 103 103.0 Lr Lawrencium 48.432979 " "72.369493 96.305846 0 1 0 1\n" "105 104 104.0 Rf Rutherfordium 48.876248 " "73.022731 97.169052 0 1 0 1\n" "106 105 105.0 Db Dubnium 49.319518 " "73.675970 98.032259 0 1 0 1\n" "107 106 106.0 Sg Seaborgium 49.762787 " "74.329208 98.895465 0 1 0 1\n" "108 107 107.0 Bh Bohrium 50.206056 " "74.982447 99.758671 0 1 0 1\n" "109 108 108.0 Hs Hassium 50.649325 " "75.635685 100.621878 0 1 0 1\n" "110 109 109.0 Mt Meitnerium 51.092594 " "76.288924 101.485084 0 1 0 1\n" "111 110 110.0 Ds Darmstadtium 51.535863 " "76.942162 102.348290 0 1 0 1\n" "112 111 111.0 Rg Roentgenium 51.979132 " "77.595401 103.211497 0 1 0 1\n" "113 112 112.0 Cn Copernicium 52.422401 " "78.248639 104.074703 0 1 0 1\n" "114 113 113.0 Nh Nihonium 52.865670 " "78.901878 104.937909 0 1 0 1\n" "115 114 114.0 Fl Flerovium 53.308939 " "79.555116 105.801116 0 1 0 1\n" "116 115 115.0 Mc Moscovium 53.752208 " "80.208354 106.664322 0 1 0 1\n" "117 116 116.0 Lv Livermorium 54.195477 " "80.861593 107.527529 0 1 0 1\n" "118 117 117.0 Ts Tennessine 54.638747 " "81.514831 108.390735 0 1 0 1\n" "119 118 118.0 Og Oganesson 55.082016 " "82.168070 109.253941 0 1 0 1\n"); } // namespace TEST(CoordinateBlockGeneratorTest, generateCoordinateBlock) { Molecule molecule; Vector3 pos(1.23456789, 2.34567891, 3.456789123); Vector3 inc(0.23456789, 0.34567891, 0.456789123); for (unsigned char i = 0; i < Elements::elementCount(); ++i) molecule.addAtom(i).setPosition3d(pos += inc); CoordinateBlockGenerator gen; gen.setMolecule(&molecule); gen.setDistanceUnit(CoordinateBlockGenerator::Bohr); gen.setSpecification("#ZGSNxyz01__01"); EXPECT_EQ(refCoordBlock, gen.generateCoordinateBlock()); } OpenChemistry-avogadrolibs-ceb949f/tests/core/coordinatesettest.cpp000066400000000000000000000027631516317240700260430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Vector3; using Avogadro::Core::ArraySet; using Avogadro::Core::CoordinateSet; TEST(CoordinateSetTest, StoreType) { ArraySet* array = new CoordinateSet; EXPECT_TRUE(array->isType(Vector3())); delete array; array = nullptr; array = new CoordinateSet; EXPECT_TRUE(array->isType(float())); delete array; array = nullptr; } TEST(CoordinateSetTest, Resize) { CoordinateSet data; data.resize(5); EXPECT_EQ(data.size(), static_cast(5)); data.resize(3); EXPECT_EQ(data.size(), static_cast(3)); } TEST(CoordinateSetTest, Store) { CoordinateSet data; data.resize(5); data[0] = Vector3(0.0, 1.0, 2.0); EXPECT_EQ(data[0].x(), 0.0); EXPECT_EQ(data[0].y(), 1.0); EXPECT_EQ(data[0].z(), 2.0); } TEST(CoordinateSetTest, StoreTypeRetrieve) { CoordinateSet data; data.resize(5); data[0] = Vector3(0.0, 1.0, 2.0); ArraySet* array = &data; CoordinateSet& ref = *reinterpret_cast*>(array); EXPECT_EQ(ref[0].x(), 0.0); EXPECT_EQ(ref[0].y(), 1.0); EXPECT_EQ(ref[0].z(), 2.0); } OpenChemistry-avogadrolibs-ceb949f/tests/core/cubetest.cpp000066400000000000000000000050021516317240700241030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Vector3; using Avogadro::Vector3i; using Avogadro::Core::Cube; TEST(CubeTest, initialize) { Cube cube; EXPECT_EQ(cube.dimensions(), Vector3i::Zero()); } TEST(CubeTest, name) { Cube cube; cube.setName("test"); EXPECT_EQ(cube.name(), "test"); } TEST(CubeTest, limits) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); EXPECT_EQ(cube.data()->size(), 1000); for (int i = 0; i < 3; ++i) { EXPECT_DOUBLE_EQ(cube.min()[i], 0.0); EXPECT_DOUBLE_EQ(cube.max()[i], 1.0); EXPECT_EQ(cube.dimensions()[i], 10); } Cube cube2; cube2.setLimits(cube); for (int i = 0; i < 3; ++i) { EXPECT_DOUBLE_EQ(cube2.min()[i], 0.0); EXPECT_DOUBLE_EQ(cube2.max()[i], 1.0); EXPECT_EQ(cube2.dimensions()[i], 10); } EXPECT_EQ(cube.data()->size(), 1000); } TEST(CubeTest, value) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); cube.setValue(0, 0, 0, 5.0); cube.setValue(0, 0, 1, 50.0); EXPECT_DOUBLE_EQ(cube.value(0, 0, 0), 5.0); EXPECT_DOUBLE_EQ(cube.value(0, 0, 1), 50.0); } TEST(CubeTest, minmax) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); cube.setValue(0, 0, 0, 5.0); cube.setValue(0, 0, 1, 50.0); EXPECT_DOUBLE_EQ(cube.minValue(), 0.0); EXPECT_DOUBLE_EQ(cube.maxValue(), 50.0); } TEST(CubeTest, index) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); EXPECT_EQ(cube.closestIndex(Vector3(0.0, 0.0, 0.0)), 0); EXPECT_EQ(cube.closestIndex(Vector3(1.0, 0.0, 0.0)), 900); EXPECT_EQ(cube.closestIndex(Vector3(0.0, 1.0, 0.0)), 90); EXPECT_EQ(cube.closestIndex(Vector3(0.0, 0.0, 1.0)), 9); EXPECT_EQ(cube.closestIndex(Vector3(1.0, 1.0, 1.0)), 999); } TEST(CubeTest, position) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); for (int i = 0; i < 3; ++i) EXPECT_DOUBLE_EQ(cube.position(0)[i], 0.0); for (int i = 0; i < 3; ++i) EXPECT_DOUBLE_EQ(cube.position(999)[i], 1.0); } OpenChemistry-avogadrolibs-ceb949f/tests/core/dihedraliteratortest.cpp000066400000000000000000000100201516317240700265070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Index; using Avogadro::Core::Dihedral; using Avogadro::Core::DihedralIterator; using Avogadro::Core::Molecule; namespace { int countDihedrals(const Molecule& mol) { DihedralIterator it(&mol); Dihedral dih = it.begin(); DihedralIterator endIt(&mol); Dihedral end = endIt.end(); int count = 0; while (dih != end) { ++count; dih = ++it; } return count; } } // namespace TEST(DihedralIteratorTest, emptyMolecule) { Molecule mol; EXPECT_EQ(countDihedrals(mol), 0); } TEST(DihedralIteratorTest, twoAtoms) { // Too few atoms for a dihedral (need 4) Molecule mol; mol.addAtom(6); mol.addAtom(6); mol.addBond(mol.atom(0), mol.atom(1), 1); EXPECT_EQ(countDihedrals(mol), 0); } TEST(DihedralIteratorTest, threeAtomChain) { // 3 atoms, 2 bonds -- below the minimum (4 atoms, 3 bonds) Molecule mol; mol.addAtom(6); mol.addAtom(6); mol.addAtom(6); mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); EXPECT_EQ(countDihedrals(mol), 0); } TEST(DihedralIteratorTest, butane) { // C0-C1-C2-C3: linear chain, 4 atoms, 3 bonds // Bond C1-C2 has C0 on one side and C3 on the other -> 1 dihedral Molecule mol; mol.addAtom(6); // 0 mol.addAtom(6); // 1 mol.addAtom(6); // 2 mol.addAtom(6); // 3 mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); mol.addBond(mol.atom(2), mol.atom(3), 1); EXPECT_EQ(countDihedrals(mol), 1); } TEST(DihedralIteratorTest, branchedChain) { // C0-C1(-C3)-C2-C4: 5 atoms, 4 bonds // Bond C1-C2: neighbors of C1 excl. C2 = {C0, C3}; neighbors of C2 excl. C1 = // {C4} // -> dihedrals: C0-C1-C2-C4, C3-C1-C2-C4 = 2 // Other bonds have terminal atoms with no extra neighbors -> 0 each Molecule mol; mol.addAtom(6); // 0 mol.addAtom(6); // 1 mol.addAtom(6); // 2 mol.addAtom(6); // 3 mol.addAtom(6); // 4 mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); mol.addBond(mol.atom(1), mol.atom(3), 1); mol.addBond(mol.atom(2), mol.atom(4), 1); EXPECT_EQ(countDihedrals(mol), 2); } TEST(DihedralIteratorTest, starTopology) { // Central atom bonded to 4 terminal atoms: no dihedrals // (terminal atoms have no neighbors besides the central one) Molecule mol; mol.addAtom(6); // 0 center mol.addAtom(6); // 1 mol.addAtom(6); // 2 mol.addAtom(6); // 3 mol.addAtom(6); // 4 mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(0), mol.atom(2), 1); mol.addBond(mol.atom(0), mol.atom(3), 1); mol.addBond(mol.atom(0), mol.atom(4), 1); // Each bond: central has 3 other neighbors, terminal has 0 others // So no complete i-j-k-l dihedral can form EXPECT_EQ(countDihedrals(mol), 0); } TEST(DihedralIteratorTest, pentane) { // C0-C1-C2-C3-C4: linear chain, 5 atoms, 4 bonds // Bond C1-C2: C0 on one side, C3 on the other -> 1 // Bond C2-C3: C1 on one side, C4 on the other -> 1 // Total: 2 + Bond C0-C1 has no extra neighbors on C0 side, C2-C3 same // Actually: Bond C0-C1: atom1=C0 neighbors={C1}, excl C1={}. 0. // Bond C1-C2: atom1=C1 neighbors={C0,C2}, excl C2={C0}. atom2=C2 // neighbors={C1,C3}, excl C1={C3}. -> 1 Bond C2-C3: atom1=C2 // neighbors={C1,C3}, excl C3={C1}. atom2=C3 neighbors={C2,C4}, excl // C2={C4}. -> 1 Bond C3-C4: atom1=C3 neighbors={C2,C4}, excl C4={C2}. // atom2=C4 neighbors={C3}, excl C3={}. 0. Total: 2 Molecule mol; for (int i = 0; i < 5; ++i) mol.addAtom(6); mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); mol.addBond(mol.atom(2), mol.atom(3), 1); mol.addBond(mol.atom(3), mol.atom(4), 1); EXPECT_EQ(countDihedrals(mol), 2); } OpenChemistry-avogadrolibs-ceb949f/tests/core/eigentest.cpp000066400000000000000000000007471516317240700242670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include TEST(EigenTest, vector3d) { Eigen::Vector3d vec; vec.setZero(); EXPECT_EQ(vec.x(), 0); EXPECT_EQ(vec.y(), 0); EXPECT_EQ(vec.z(), 0); } OpenChemistry-avogadrolibs-ceb949f/tests/core/elementtest.cpp000066400000000000000000000070111516317240700246200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Core::Elements; using namespace std::string_literals; TEST(ElementTest, symbolSingles) { EXPECT_EQ(Elements::atomicNumberFromSymbol("H"), 1); EXPECT_EQ(Elements::atomicNumberFromSymbol("C"), 6); EXPECT_EQ(Elements::atomicNumberFromSymbol("S"), 16); EXPECT_EQ(Elements::atomicNumberFromSymbol("U"), 92); EXPECT_EQ(Elements::atomicNumberFromSymbol("X"), Avogadro::InvalidElement); } TEST(ElementTest, symbolDoubles) { EXPECT_EQ(Elements::atomicNumberFromSymbol("He"), 2); EXPECT_EQ(Elements::atomicNumberFromSymbol("Fe"), 26); EXPECT_EQ(Elements::atomicNumberFromSymbol("Lv"), 116); EXPECT_EQ(Elements::atomicNumberFromSymbol("Xe"), 54); EXPECT_EQ(Elements::atomicNumberFromSymbol("Xeee"), Avogadro::InvalidElement); } TEST(ElementTest, names) { EXPECT_EQ(Elements::name(1), "Hydrogen"s); EXPECT_EQ(Elements::name(6), "Carbon"s); EXPECT_EQ(Elements::name(Elements::atomicNumberFromSymbol("Fe")), "Iron"s); } TEST(ElementTest, masses) { EXPECT_EQ(Elements::mass(1), 1.00784); EXPECT_EQ(Elements::mass(6), 12.011); } TEST(ElementTest, radiusVDW) { EXPECT_EQ(Elements::radiusVDW(1), 1.2); EXPECT_EQ(Elements::radiusVDW(6), 1.77); } TEST(ElementTest, radiusCovalent) { EXPECT_EQ(Elements::radiusCovalent(1), 0.32); EXPECT_EQ(Elements::radiusCovalent(6), 0.75); } TEST(ElementTest, colors) { // hydrogen EXPECT_EQ(Elements::color(1)[0], 240); EXPECT_EQ(Elements::color(1)[1], 240); EXPECT_EQ(Elements::color(1)[2], 240); // boron EXPECT_EQ(Elements::color(5)[0], 255); EXPECT_EQ(Elements::color(5)[1], 181); EXPECT_EQ(Elements::color(5)[2], 181); // carbon EXPECT_EQ(Elements::color(6)[0], 127); EXPECT_EQ(Elements::color(6)[1], 127); EXPECT_EQ(Elements::color(6)[2], 127); EXPECT_EQ(Elements::color(7)[0], 48); EXPECT_EQ(Elements::color(7)[1], 80); EXPECT_EQ(Elements::color(7)[2], 255); // Oxygen EXPECT_EQ(Elements::color(8)[0], 255); EXPECT_EQ(Elements::color(8)[1], 13); EXPECT_EQ(Elements::color(8)[2], 13); } TEST(ElementTest, isotopes) { EXPECT_EQ(Elements::isotopeMass(1, 0), 1.00782503223); EXPECT_EQ(Elements::isotopeMass(1, 1), 1.00782503223); EXPECT_EQ(Elements::isotopeMass(6, 12), 12.0); EXPECT_EQ(Elements::isotopeMass(6, 0), Elements::isotopeMass(6, 12)); // TODO: spot-check other isotopes } TEST(ElementTest, dummyElement) { EXPECT_EQ(Elements::radiusVDW(0), 0.69); EXPECT_EQ(Elements::radiusCovalent(0), 0.18); } TEST(ElementTest, customElements) { for (unsigned char i = Avogadro::CustomElementMin; i <= Avogadro::CustomElementMax; ++i) { std::string name = Elements::name(i); std::string symbol = Elements::symbol(i); // These should not return the dummy labels EXPECT_TRUE(Avogadro::Core::isCustomElement(i)); EXPECT_STRNE(name.c_str(), Elements::name(0)); EXPECT_STRNE(symbol.c_str(), Elements::symbol(0)); // The last two characters must match: EXPECT_EQ(name.substr(name.size() - 2), symbol.substr(symbol.size() - 2)); // Round trip: EXPECT_EQ((int)Elements::atomicNumberFromName(name), (int)i); EXPECT_EQ((int)Elements::atomicNumberFromSymbol(symbol), (int)i); } } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-array.cpp000066400000000000000000000106211516317240700244020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Core::Array; // Caps to prevent OOM/timeout during fuzzing constexpr size_t kMaxSize = 4096; constexpr size_t kMaxSteps = 256; // Fuzz Array with random mutation sequences, exercising copy-on-write, // iterators, comparisons, insert/erase, and element access. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); // Start with a fuzz-chosen initial size and fill value size_t initSize = fdp.ConsumeIntegralInRange(0, std::min(kMaxSize, size_t(128))); int fillVal = fdp.ConsumeIntegral(); Array arr(initSize, fillVal); // Make a CoW copy so we exercise shared-state paths Array cow = arr; size_t steps = fdp.ConsumeIntegralInRange(1, kMaxSteps); for (size_t s = 0; s < steps && fdp.remaining_bytes() > 0; ++s) { uint8_t op = fdp.ConsumeIntegral() % 16; switch (op) { case 0: { // push_back int v = fdp.ConsumeIntegral(); if (arr.size() < kMaxSize) arr.push_back(v); break; } case 1: { // pop_back if (!arr.empty()) arr.pop_back(); break; } case 2: { // resize size_t newSz = fdp.ConsumeIntegralInRange(0, kMaxSize); arr.resize(newSz, fdp.ConsumeIntegral()); break; } case 3: { // clear arr.clear(); break; } case 4: { // reserve size_t cap = fdp.ConsumeIntegralInRange(0, kMaxSize); arr.reserve(cap); break; } case 5: { // operator[] write (triggers detach) if (!arr.empty()) { size_t idx = fdp.ConsumeIntegral() % arr.size(); arr[idx] = fdp.ConsumeIntegral(); } break; } case 6: { // at() read if (!arr.empty()) { size_t idx = fdp.ConsumeIntegral() % arr.size(); (void)arr.at(idx); } break; } case 7: { // front / back if (!arr.empty()) { (void)arr.front(); (void)arr.back(); } break; } case 8: { // insert single element if (arr.size() < kMaxSize && !arr.empty()) { size_t pos = fdp.ConsumeIntegral() % arr.size(); arr.insert(arr.begin() + pos, fdp.ConsumeIntegral()); } break; } case 9: { // erase single element if (!arr.empty()) { size_t pos = fdp.ConsumeIntegral() % arr.size(); arr.erase(arr.begin() + pos); } break; } case 10: { // swapAndPop if (!arr.empty()) { size_t idx = fdp.ConsumeIntegral() % arr.size(); arr.swapAndPop(idx); } break; } case 11: { // copy and compare Array copy = arr; (void)(arr == copy); (void)(arr != copy); break; } case 12: { // swap with cow copy using std::swap; swap(arr, cow); break; } case 13: { // assign from iterators if (cow.size() > 0) { size_t count = std::min(cow.size(), size_t(64)); arr.assign(cow.begin(), cow.begin() + count); } break; } case 14: { // comparison operators (void)(arr < cow); (void)(arr > cow); (void)(arr <= cow); (void)(arr >= cow); break; } case 15: { // iterate (const) int sum = 0; for (auto it = arr.begin(); it != arr.end(); ++it) sum += *it; (void)sum; break; } default: break; } } // Exercise detach / detachWithCopy on the final state Array shared = arr; (void)shared.constData(); // no detach (void)shared.data(); // triggers detachWithCopy shared.detach(); // explicit detach (new empty container) // Exercise size/empty/capacity on final state (void)arr.size(); (void)arr.empty(); (void)arr.capacity(); (void)arr.max_size(); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-bond.cpp000066400000000000000000000016241516317240700242110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::Core; // Fuzz bond perception on random atom clouds extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol = FuzzHelpers::buildMolecule(fdp); mol.clearBonds(); double tolerance = fdp.ConsumeFloatingPointInRange(0.0, 2.0); double minDist = fdp.ConsumeFloatingPointInRange(0.0, 1.0); mol.perceiveBondsSimple(tolerance, minDist); mol.perceiveBondOrders(); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-crystal.cpp000066400000000000000000000027741516317240700247570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::Core; // Fuzz crystallographic operations on random crystal structures extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol = FuzzHelpers::buildCrystalMolecule(fdp); CrystalTools::wrapAtomsToUnitCell(mol); CrystalTools::rotateToStandardOrientation(mol, CrystalTools::TransformAtoms); float newVol = fdp.ConsumeFloatingPointInRange(10.0f, 10000.0f); CrystalTools::setVolume(mol, static_cast(newVol), CrystalTools::TransformAtoms); CrystalTools::niggliReduce(mol, CrystalTools::TransformAtoms); CrystalTools::isNiggliReduced(mol); // Supercell capped at 3x3x3 to avoid blowup unsigned int sa = fdp.ConsumeIntegralInRange(1, 3); unsigned int sb = fdp.ConsumeIntegralInRange(1, 3); unsigned int sc = fdp.ConsumeIntegralInRange(1, 3); CrystalTools::buildSupercell(mol, sa, sb, sc); Array frac; CrystalTools::fractionalCoordinates(mol, frac); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-graph.cpp000066400000000000000000000026731516317240700243750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Graph; // Fuzz graph add/remove vertex/edge sequences extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Graph g; uint8_t numVerts = fdp.ConsumeIntegral(); size_t nv = std::min(static_cast(numVerts), size_t(128)); for (size_t i = 0; i < nv; ++i) g.addVertex(); uint8_t numEdges = fdp.ConsumeIntegral(); size_t ne = std::min(static_cast(numEdges), size_t(256)); for (size_t i = 0; i < ne; ++i) { uint8_t a = fdp.ConsumeIntegral(); uint8_t b = fdp.ConsumeIntegral(); if (nv == 0) continue; size_t ia = a % nv, ib = b % nv; if (ia != ib) g.addEdge(ia, ib); } g.connectedComponents(); g.subgraphsCount(); // Random vertex removals uint8_t numRemove = fdp.ConsumeIntegral(); size_t nr = std::min(static_cast(numRemove), g.size()); for (size_t i = 0; i < nr && g.size() > 0; ++i) g.removeVertex(fdp.ConsumeIntegral() % g.size()); g.connectedComponents(); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-molecule.cpp000066400000000000000000000106201516317240700250700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::Core; using Avogadro::FuzzHelpers::consumeAtomicNumber; using Avogadro::FuzzHelpers::consumeVector3; // Fuzz Core::Molecule mutation operations and common queries. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol = FuzzHelpers::buildMolecule(fdp); size_t steps = fdp.ConsumeIntegralInRange(1, 128); for (size_t i = 0; i < steps; ++i) { switch (fdp.ConsumeIntegral() % 12) { case 0: { // add atom unsigned char z = consumeAtomicNumber(fdp); mol.addAtom(z); break; } case 1: { // remove atom if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); mol.removeAtom(atomId); break; } case 2: { // add bond if (mol.atomCount() < 2) break; Index a = fdp.ConsumeIntegral() % mol.atomCount(); Index b = fdp.ConsumeIntegral() % mol.atomCount(); if (a == b) break; unsigned char order = static_cast(1 + (fdp.ConsumeIntegral() % 3)); mol.addBond(a, b, order); break; } case 3: { // remove bond if (mol.bondCount() == 0) break; Index bondId = fdp.ConsumeIntegral() % mol.bondCount(); mol.removeBond(bondId); break; } case 4: { // set atom position if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); mol.setAtomPosition3d(atomId, consumeVector3(fdp)); break; } case 5: { // set atomic number if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); mol.setAtomicNumber(atomId, consumeAtomicNumber(fdp)); break; } case 6: { // set formal charge if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); signed char charge = static_cast(fdp.ConsumeIntegralInRange(-3, 3)); mol.setFormalCharge(atomId, charge); break; } case 7: { // set isotope if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); unsigned short isotope = static_cast(fdp.ConsumeIntegral()); mol.setIsotope(atomId, isotope); break; } case 8: { // set atom label if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); mol.setAtomLabel(atomId, FuzzHelpers::consumeString(fdp, 64)); break; } case 9: { // set bond order if (mol.bondCount() == 0) break; Index bondId = fdp.ConsumeIntegral() % mol.bondCount(); unsigned char order = static_cast(1 + (fdp.ConsumeIntegral() % 3)); mol.setBondOrder(bondId, order); break; } case 10: { // set bond label if (mol.bondCount() == 0) break; Index bondId = fdp.ConsumeIntegral() % mol.bondCount(); mol.setBondLabel(bondId, FuzzHelpers::consumeString(fdp, 64)); break; } case 11: { // set force vector if (mol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % mol.atomCount(); mol.setForceVector(atomId, consumeVector3(fdp)); break; } default: break; } } if (mol.atomCount() > 0) { mol.centerOfGeometry(); mol.centerOfMass(); mol.radius(); mol.formula(); } Vector3 minPos = Vector3::Zero(); Vector3 maxPos = Vector3::Zero(); mol.boundingBox(minPos, maxPos); if (mol.bondCount() > 0) mol.perceiveBondOrders(); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-neighbor.cpp000066400000000000000000000024311516317240700250610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::Core; // Fuzz spatial neighbor indexing and queries extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol = FuzzHelpers::buildMolecule(fdp); const auto& positions = mol.atomPositions3d(); if (positions.empty()) return 0; float maxDist = fdp.ConsumeFloatingPointInRange(0.1f, 10.0f); NeighborPerceiver np(positions, maxDist); uint8_t numQueries = fdp.ConsumeIntegralInRange(0, 16); for (uint8_t i = 0; i < numQueries; ++i) { float qx = fdp.ConsumeFloatingPointInRange(-20.0f, 20.0f); float qy = fdp.ConsumeFloatingPointInRange(-20.0f, 20.0f); float qz = fdp.ConsumeFloatingPointInRange(-20.0f, 20.0f); np.getNeighborsInclusive(Vector3(qx, qy, qz)); } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-residue.cpp000066400000000000000000000135041516317240700247270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include "fuzzhelpers.h" #include #include using namespace Avogadro; using namespace Avogadro::Core; using Avogadro::FuzzHelpers::consumeAtomicNumber; using Avogadro::FuzzHelpers::consumeVector3; constexpr size_t kMaxSteps = 128; constexpr size_t kMaxAtoms = 64; constexpr size_t kMaxResidues = 32; constexpr size_t kMaxNameLen = 8; // Common PDB backbone atom names exercised for name lookups static const char* kBackboneNames[] = { "N", "CA", "C", "O", "CB", "H" }; constexpr size_t kNumBackboneNames = 6; // Known residue names so resolveResidueBonds hits the dictionary static const char* kKnownResidues[] = { "ALA", "GLY", "VAL", "LEU", "ILE", "PRO", "PHE", "TRP", "MET", "SER", "THR", "CYS", "TYR", "HIS", "ASP", "GLU", "ASN", "GLN", "LYS", "ARG", "UNK" }; constexpr size_t kNumKnownResidues = 21; // Fuzz Residue with random mutation sequences, atom name lookups, // bond resolution, copy/assign, color, and secondary structure. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol; // Build some residues with backbone atoms size_t numResidues = fdp.ConsumeIntegralInRange(0, kMaxResidues); for (size_t r = 0; r < numResidues && fdp.remaining_bytes() > 0; ++r) { // Pick residue name: sometimes known, sometimes random std::string resName; if (fdp.ConsumeBool()) { resName = kKnownResidues[fdp.ConsumeIntegral() % kNumKnownResidues]; } else { resName = fdp.ConsumeRandomLengthString(kMaxNameLen); } Index resNum = static_cast(r); // Chain IDs: A-D so we get some same-chain and cross-chain patterns char chain = 'A' + static_cast(fdp.ConsumeIntegral() % 4); Residue& res = mol.addResidue(resName, resNum, chain); if (fdp.ConsumeBool()) res.setHeterogen(true); // Add some atoms with backbone-like names size_t numAtoms = fdp.ConsumeIntegralInRange(0, kNumBackboneNames); for (size_t a = 0; a < numAtoms && mol.atomCount() < kMaxAtoms; ++a) { unsigned char z = consumeAtomicNumber(fdp); Atom atom = mol.addAtom(z); atom.setPosition3d(consumeVector3(fdp)); // Use a backbone name or a fuzz-generated name std::string atomName; if (fdp.ConsumeBool()) { atomName = kBackboneNames[fdp.ConsumeIntegral() % kNumBackboneNames]; } else { atomName = fdp.ConsumeRandomLengthString(kMaxNameLen); } res.addResidueAtom(atomName, atom); } // Set secondary structure to a random valid enum int ss = fdp.ConsumeIntegralInRange(-3, 7); res.setSecondaryStructure(static_cast(ss)); // Set color if (fdp.ConsumeBool()) { uint8_t cr = fdp.ConsumeIntegral(); uint8_t cg = fdp.ConsumeIntegral(); uint8_t cb = fdp.ConsumeIntegral(); res.setColor(Vector3ub(cr, cg, cb)); } } // Now run random operations on the residues size_t steps = fdp.ConsumeIntegralInRange(0, kMaxSteps); size_t resCount = mol.residues().size(); for (size_t s = 0; s < steps && fdp.remaining_bytes() > 0 && resCount > 0; ++s) { size_t ri = fdp.ConsumeIntegral() % resCount; Residue& res = mol.residue(ri); switch (fdp.ConsumeIntegral() % 10) { case 0: { // atomByName with known name std::string name = kBackboneNames[fdp.ConsumeIntegral() % kNumBackboneNames]; Atom a = res.atomByName(name); (void)a.isValid(); break; } case 1: { // atomByName with random name std::string name = fdp.ConsumeRandomLengthString(kMaxNameLen); Atom a = res.atomByName(name); (void)a.isValid(); break; } case 2: { // residueAtoms auto atoms = res.residueAtoms(); (void)atoms.size(); break; } case 3: { // hasAtomByIndex Index idx = fdp.ConsumeIntegral(); (void)res.hasAtomByIndex(idx); break; } case 4: { // atomName by Index Index idx = fdp.ConsumeIntegral(); (void)res.atomName(idx); break; } case 5: { // atomicNumber by name std::string name = kBackboneNames[fdp.ConsumeIntegral() % kNumBackboneNames]; (void)res.atomicNumber(name); break; } case 6: { // resolveResidueBonds res.resolveResidueBonds(mol); break; } case 7: { // color (void)res.color(); break; } case 8: { // copy constructor Residue copy(res); (void)copy.residueName(); (void)copy.residueId(); (void)copy.chainId(); (void)copy.secondaryStructure(); (void)copy.isHeterogen(); (void)copy.color(); break; } case 9: { // assignment if (resCount > 1) { size_t other = fdp.ConsumeIntegral() % resCount; Residue copy = mol.residue(other); (void)copy.residueName(); } break; } default: break; } } // Read back all residue properties for (size_t i = 0; i < resCount; ++i) { const Residue& res = mol.residue(i); (void)res.residueName(); (void)res.residueId(); (void)res.chainId(); (void)res.secondaryStructure(); (void)res.isHeterogen(); (void)res.color(); (void)res.residueAtoms(); } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-ring.cpp000066400000000000000000000014171516317240700242260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::Core; // Fuzz SSSR ring detection on random molecular graphs extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol = FuzzHelpers::buildMolecule(fdp); RingPerceiver perceiver(&mol); perceiver.rings(); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-secondarystructure.cpp000066400000000000000000000075171516317240700272460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include "fuzzhelpers.h" #include #include using namespace Avogadro; using namespace Avogadro::Core; using Avogadro::FuzzHelpers::consumeVector3; constexpr size_t kMaxResidues = 64; constexpr double kCoordRange = 50.0; // Build a molecule with residues containing backbone N and O atoms // at fuzz-driven positions, then run SecondaryStructureAssigner::assign(). // This exercises the hydrogen bond detection, helix/sheet assignment, // gap plugging, singleton removal, and chain-boundary logic. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Molecule mol; size_t numResidues = fdp.ConsumeIntegralInRange(0, kMaxResidues); for (size_t r = 0; r < numResidues && fdp.remaining_bytes() > 0; ++r) { std::string resName = "ALA"; Index resNum = static_cast(r); // Use 1-3 chain IDs so we exercise both same-chain and cross-chain paths char chain = 'A' + static_cast(fdp.ConsumeIntegral() % 3); Residue& res = mol.addResidue(resName, resNum, chain); // Randomly mark some residues as heterogens (skipped by the assigner) if (fdp.ConsumeIntegralInRange(0, 9) == 0) res.setHeterogen(true); // Add backbone N atom if (fdp.ConsumeBool() || true) { // almost always add N Atom n = mol.addAtom(7); float x = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float y = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float z = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); n.setPosition3d(Vector3(x, y, z)); res.addResidueAtom("N", n); } // Add backbone O atom if (fdp.ConsumeBool() || true) { // almost always add O Atom o = mol.addAtom(8); float x = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float y = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float z = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); o.setPosition3d(Vector3(x, y, z)); res.addResidueAtom("O", o); } // Optionally add CA (not used by the assigner, but tests tolerance) if (fdp.ConsumeBool()) { Atom ca = mol.addAtom(6); float x = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float y = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float z = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); ca.setPosition3d(Vector3(x, y, z)); res.addResidueAtom("CA", ca); } } // Run the secondary structure assignment SecondaryStructureAssigner ssa; ssa.assign(&mol); // Read back all assignments to make sure nothing is corrupt for (size_t i = 0; i < mol.residues().size(); ++i) { const Residue& res = mol.residue(i); (void)res.secondaryStructure(); (void)res.chainId(); (void)res.residueName(); } // Run it a second time to exercise re-assignment (clears old hBonds) if (fdp.ConsumeBool()) { ssa.assign(&mol); for (size_t i = 0; i < mol.residues().size(); ++i) (void)mol.residue(i).secondaryStructure(); } // Also test construction with a molecule pointer { SecondaryStructureAssigner ssa2(&mol); // Destructor should clean up hBonds even without calling assign() } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-utilities.cpp000066400000000000000000000017231516317240700253020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include "fuzzhelpers.h" using namespace Avogadro::Core; using namespace Avogadro::FuzzHelpers; // Fuzz string parsing and conversion utilities extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); std::string input = consumeString(fdp); split(input, ' '); split(input, ',', false); split(input, '\n'); trimmed(input); lexicalCast(input); lexicalCast(input); lexicalCast(input); contains(input, "test"); contains(input, "TEST", false); startsWith(input, "begin"); endsWith(input, "end"); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-variant.cpp000066400000000000000000000124151516317240700247330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::MatrixX; using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Vector3f; using Avogadro::Core::Variant; constexpr size_t kMaxSteps = 256; constexpr size_t kMaxStringLen = 512; constexpr int kMaxMatrixDim = 16; // Set a variant to a random type from fuzz data static void setRandomValue(Variant& v, FuzzedDataProvider& fdp) { switch (fdp.ConsumeIntegral() % 12) { case 0: // bool v.setValue(fdp.ConsumeBool()); break; case 1: // char v.setValue(fdp.ConsumeIntegral()); break; case 2: // short v.setValue(static_cast(fdp.ConsumeIntegral())); break; case 3: // int v.setValue(fdp.ConsumeIntegral()); break; case 4: // long v.setValue(static_cast(fdp.ConsumeIntegral())); break; case 5: // float v.setValue(fdp.ConsumeFloatingPoint()); break; case 6: // double v.setValue(fdp.ConsumeFloatingPoint()); break; case 7: // string v.setValue(fdp.ConsumeRandomLengthString(kMaxStringLen)); break; case 8: // const char* v.setValue(fdp.ConsumeRandomLengthString(kMaxStringLen).c_str()); break; case 9: { // Vector3 double x = fdp.ConsumeFloatingPoint(); double y = fdp.ConsumeFloatingPoint(); double z = fdp.ConsumeFloatingPoint(); v.setValue(x, y, z); break; } case 10: { // MatrixX int rows = fdp.ConsumeIntegralInRange(0, kMaxMatrixDim); int cols = fdp.ConsumeIntegralInRange(1, kMaxMatrixDim); MatrixX m(rows, cols); for (int r = 0; r < rows; ++r) for (int c = 0; c < cols; ++c) m(r, c) = fdp.ConsumeFloatingPoint(); v.setValue(m); break; } case 11: { // vector (stored as single-column matrix) size_t len = fdp.ConsumeIntegralInRange(0, 64); std::vector list(len); for (size_t i = 0; i < len; ++i) list[i] = fdp.ConsumeFloatingPoint(); v.setValue(list); break; } default: break; } } // Read the variant as a random output type static void readRandomType(const Variant& v, FuzzedDataProvider& fdp) { switch (fdp.ConsumeIntegral() % 16) { case 0: (void)v.toBool(); break; case 1: (void)v.toChar(); break; case 2: (void)v.toUChar(); break; case 3: (void)v.toShort(); break; case 4: (void)v.toUShort(); break; case 5: (void)v.toInt(); break; case 6: (void)v.toUInt(); break; case 7: (void)v.toLong(); break; case 8: (void)v.toULong(); break; case 9: (void)v.toFloat(); break; case 10: (void)v.toDouble(); break; case 11: (void)v.toReal(); break; case 12: (void)v.toString(); break; case 13: (void)v.toPointer(); break; case 14: (void)v.toMatrix(); break; case 15: (void)v.toVector3(); break; default: break; } } // Fuzz Variant with random type mutations and cross-type conversions. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); Variant v; size_t steps = fdp.ConsumeIntegralInRange(1, kMaxSteps); for (size_t s = 0; s < steps && fdp.remaining_bytes() > 0; ++s) { uint8_t action = fdp.ConsumeIntegral() % 8; switch (action) { case 0: // set to a random type setRandomValue(v, fdp); break; case 1: // read as a random type (cross-type conversion) readRandomType(v, fdp); break; case 2: // clear v.clear(); break; case 3: { // copy construct Variant copy(v); (void)copy.type(); (void)copy.isNull(); readRandomType(copy, fdp); break; } case 4: { // assignment operator Variant other; setRandomValue(other, fdp); v = other; break; } case 5: // self-assignment v = v; break; case 6: // check type and null (void)v.type(); (void)v.isNull(); break; case 7: { // toMatrixRef and toList (void)v.toMatrixRef(); (void)v.toList(); break; } default: break; } } // Final read of all conversion methods on whatever state we're in (void)v.type(); (void)v.isNull(); (void)v.toBool(); (void)v.toChar(); (void)v.toUChar(); (void)v.toShort(); (void)v.toUShort(); (void)v.toInt(); (void)v.toUInt(); (void)v.toLong(); (void)v.toULong(); (void)v.toFloat(); (void)v.toDouble(); (void)v.toReal(); (void)v.toPointer(); (void)v.toString(); (void)v.toMatrix(); (void)v.toMatrixRef(); (void)v.toVector3(); (void)v.toList(); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzz-variantmap.cpp000066400000000000000000000114461516317240700254340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::MatrixX; using Avogadro::Vector3; using Avogadro::Core::Variant; using Avogadro::Core::VariantMap; constexpr size_t kMaxSteps = 256; constexpr size_t kMaxKeyLen = 128; constexpr size_t kMaxStringLen = 256; constexpr int kMaxMatrixDim = 8; // Build a random Variant from fuzz data static Variant makeRandomVariant(FuzzedDataProvider& fdp) { switch (fdp.ConsumeIntegral() % 9) { case 0: return Variant(fdp.ConsumeBool()); case 1: return Variant(fdp.ConsumeIntegral()); case 2: return Variant(static_cast(fdp.ConsumeIntegral())); case 3: return Variant(fdp.ConsumeFloatingPoint()); case 4: return Variant(fdp.ConsumeFloatingPoint()); case 5: return Variant(fdp.ConsumeRandomLengthString(kMaxStringLen).c_str()); case 6: { double x = fdp.ConsumeFloatingPoint(); double y = fdp.ConsumeFloatingPoint(); double z = fdp.ConsumeFloatingPoint(); return Variant(x, y, z); } case 7: { int rows = fdp.ConsumeIntegralInRange(0, kMaxMatrixDim); int cols = fdp.ConsumeIntegralInRange(1, kMaxMatrixDim); MatrixX m(rows, cols); for (int r = 0; r < rows; ++r) for (int c = 0; c < cols; ++c) m(r, c) = fdp.ConsumeFloatingPoint(); return Variant(m); } case 8: { size_t len = fdp.ConsumeIntegralInRange(0, 32); std::vector list(len); for (size_t i = 0; i < len; ++i) list[i] = fdp.ConsumeFloatingPoint(); return Variant(list); } default: return Variant(); } } // Fuzz VariantMap with random insert/lookup/remove/iterate sequences. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { FuzzedDataProvider fdp(Data, Size); VariantMap map; // Keep a small pool of keys so lookups/overwrites actually hit std::vector keyPool; size_t steps = fdp.ConsumeIntegralInRange(1, kMaxSteps); for (size_t s = 0; s < steps && fdp.remaining_bytes() > 0; ++s) { uint8_t op = fdp.ConsumeIntegral() % 10; switch (op) { case 0: { // setValue with new key std::string key = fdp.ConsumeRandomLengthString(kMaxKeyLen); map.setValue(key, makeRandomVariant(fdp)); if (keyPool.size() < 64) keyPool.push_back(key); break; } case 1: { // setValue overwriting existing key if (!keyPool.empty()) { size_t idx = fdp.ConsumeIntegral() % keyPool.size(); map.setValue(keyPool[idx], makeRandomVariant(fdp)); } break; } case 2: { // value lookup for existing key if (!keyPool.empty()) { size_t idx = fdp.ConsumeIntegral() % keyPool.size(); Variant v = map.value(keyPool[idx]); (void)v.type(); } break; } case 3: { // value lookup for random (possibly missing) key std::string key = fdp.ConsumeRandomLengthString(kMaxKeyLen); Variant v = map.value(key); (void)v.isNull(); break; } case 4: { // hasValue for existing key if (!keyPool.empty()) { size_t idx = fdp.ConsumeIntegral() % keyPool.size(); (void)map.hasValue(keyPool[idx]); } break; } case 5: { // hasValue for random key std::string key = fdp.ConsumeRandomLengthString(kMaxKeyLen); (void)map.hasValue(key); break; } case 6: { // names std::vector n = map.names(); (void)n.size(); break; } case 7: { // iterate and read values for (auto it = map.constBegin(); it != map.constEnd(); ++it) { (void)it->first.size(); (void)it->second.type(); } break; } case 8: // size + isEmpty (void)map.size(); (void)map.isEmpty(); break; case 9: { // clear (occasionally) map.clear(); keyPool.clear(); break; } default: break; } } // Final consistency check: iterate all entries and read back values (void)map.size(); (void)map.isEmpty(); std::vector finalNames = map.names(); for (const auto& name : finalNames) { Variant v = map.value(name); (void)v.type(); (void)v.isNull(); (void)v.toString(); } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/core/fuzzhelpers.h000066400000000000000000000107621516317240700243240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_FUZZ_HELPERS_H #define AVOGADRO_FUZZ_HELPERS_H #include #include #include #include #include #include #include #include namespace Avogadro::FuzzHelpers { // Caps to prevent OOM/timeout during fuzzing constexpr size_t kMaxAtoms = 128; constexpr size_t kMaxBonds = 128; constexpr double kCoordRange = 100.0; // angstroms /** * Build a "mindless molecule" from fuzz data. * * Consumes from FuzzedDataProvider: * 1 byte: numAtoms (clamped to kMaxAtoms) * numAtoms bytes: atomic numbers mapped to [1, 118] * numAtoms * 3 floats: x, y, z in [-kCoordRange, kCoordRange] * 1 byte: numBonds (clamped to kMaxBonds) * numBonds * 3 bytes: (atom1, atom2, order) with index mod numAtoms */ inline Core::Molecule buildMolecule(FuzzedDataProvider& fdp) { Core::Molecule mol; uint8_t rawNumAtoms = fdp.ConsumeIntegral(); size_t numAtoms = std::min(static_cast(rawNumAtoms), kMaxAtoms); if (numAtoms == 0) return mol; // Add atoms with atomic numbers in [1, 118] for (size_t i = 0; i < numAtoms; ++i) { uint8_t z = fdp.ConsumeIntegral(); z = static_cast(1 + (z % (Core::element_count - 1))); mol.addAtom(z); } // Set 3D positions for (size_t i = 0; i < numAtoms; ++i) { float x = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float y = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); float z = fdp.ConsumeFloatingPointInRange(-kCoordRange, kCoordRange); mol.setAtomPosition3d(i, Vector3(x, y, z)); } // Add explicit bonds uint8_t rawNumBonds = fdp.ConsumeIntegral(); size_t numBonds = std::min(static_cast(rawNumBonds), kMaxBonds); for (size_t i = 0; i < numBonds; ++i) { uint8_t a = fdp.ConsumeIntegral(); uint8_t b = fdp.ConsumeIntegral(); uint8_t order = fdp.ConsumeIntegral(); size_t ia = static_cast(a) % numAtoms; size_t ib = static_cast(b) % numAtoms; if (ia == ib) continue; mol.addBond(ia, ib, static_cast(1 + (order % 3))); } return mol; } /** * Build a molecule with a UnitCell attached (for crystal tests). * After building a normal molecule, consumes 6 floats for cell parameters. */ inline Core::Molecule buildCrystalMolecule(FuzzedDataProvider& fdp) { Core::Molecule mol = buildMolecule(fdp); float a = fdp.ConsumeFloatingPointInRange(1.0f, 30.0f); float b = fdp.ConsumeFloatingPointInRange(1.0f, 30.0f); float c = fdp.ConsumeFloatingPointInRange(1.0f, 30.0f); // Angles in degrees, converted to radians float alpha = fdp.ConsumeFloatingPointInRange(30.0f, 150.0f); float beta = fdp.ConsumeFloatingPointInRange(30.0f, 150.0f); float gamma = fdp.ConsumeFloatingPointInRange(30.0f, 150.0f); auto* cell = new Core::UnitCell( static_cast(a), static_cast(b), static_cast(c), static_cast(alpha) * DEG_TO_RAD, static_cast(beta) * DEG_TO_RAD, static_cast(gamma) * DEG_TO_RAD); mol.setUnitCell(cell); return mol; } /** * Consume a random-length string from remaining fuzz data. */ inline std::string consumeString(FuzzedDataProvider& fdp, size_t maxLen = 4096) { return fdp.ConsumeRandomLengthString(maxLen); } unsigned char consumeAtomicNumber(FuzzedDataProvider& fdp) { uint8_t z = fdp.ConsumeIntegral(); return static_cast(1 + (z % (Core::element_count - 1))); } Vector3 consumeVector3(FuzzedDataProvider& fdp) { float x = fdp.ConsumeFloatingPointInRange(-FuzzHelpers::kCoordRange, FuzzHelpers::kCoordRange); float y = fdp.ConsumeFloatingPointInRange(-FuzzHelpers::kCoordRange, FuzzHelpers::kCoordRange); float z = fdp.ConsumeFloatingPointInRange(-FuzzHelpers::kCoordRange, FuzzHelpers::kCoordRange); return Vector3(x, y, z); } } // namespace Avogadro::FuzzHelpers #endif // AVOGADRO_FUZZ_HELPERS_H OpenChemistry-avogadrolibs-ceb949f/tests/core/gaussiansettest.cpp000066400000000000000000000107201516317240700255160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::BasisSet; using Avogadro::Core::GaussianSet; using Avogadro::Core::Rhf; using Avogadro::Core::Rohf; using Avogadro::Core::Uhf; using Avogadro::Core::Unknown; TEST(GaussianSetTest, defaultConstruction) { GaussianSet gs; EXPECT_EQ(gs.molecularOrbitalCount(), static_cast(0)); EXPECT_EQ(gs.scfType(), Rhf); } TEST(GaussianSetTest, addSBasis) { GaussianSet gs; unsigned int idx = gs.addBasis(0, GaussianSet::S); EXPECT_EQ(idx, static_cast(0)); // addBasis returns the shell index; add a second shell to verify unsigned int idx2 = gs.addBasis(0, GaussianSet::S); EXPECT_EQ(idx2, static_cast(1)); } TEST(GaussianSetTest, addPBasis) { GaussianSet gs; unsigned int idx = gs.addBasis(0, GaussianSet::P); EXPECT_EQ(idx, static_cast(0)); } TEST(GaussianSetTest, orbitalTypeMOCounts) { // molecularOrbitalCount() is driven by the MO coefficient matrix, // not by addBasis(). Verify that after setting a coefficient matrix // with the right number of rows, the count is correct. GaussianSet gs; gs.addBasis(0, GaussianSet::S); gs.addBasis(0, GaussianSet::P); // S(1) + P(3) = 4 basis functions // Set a 4x4 coefficient matrix -> 4 MOs std::vector moCoeffs(4 * 4, 0.0); gs.setMolecularOrbitals(moCoeffs, BasisSet::Paired); EXPECT_EQ(gs.molecularOrbitalCount(BasisSet::Paired), static_cast(4)); } TEST(GaussianSetTest, addGto) { GaussianSet gs; unsigned int basis0 = gs.addBasis(0, GaussianSet::S); // STO-3G hydrogen: 3 primitives unsigned int gto0 = gs.addGto(basis0, 0.1543, 3.4253); unsigned int gto1 = gs.addGto(basis0, 0.5353, 0.6239); unsigned int gto2 = gs.addGto(basis0, 0.4446, 0.1689); EXPECT_EQ(gto0, static_cast(0)); EXPECT_EQ(gto1, static_cast(1)); EXPECT_EQ(gto2, static_cast(2)); // Check internal data EXPECT_EQ(gs.gtoA().size(), static_cast(3)); EXPECT_EQ(gs.gtoC().size(), static_cast(3)); } TEST(GaussianSetTest, setMolecularOrbitals) { GaussianSet gs; gs.addBasis(0, GaussianSet::S); gs.addBasis(0, GaussianSet::S); // 2 s-type basis functions -> 2 MOs std::vector moCoeffs = { 1.0, 0.0, 0.0, 1.0 }; gs.setMolecularOrbitals(moCoeffs, BasisSet::Paired); EXPECT_EQ(gs.molecularOrbitalCount(BasisSet::Paired), static_cast(2)); } TEST(GaussianSetTest, uhfOrbitals) { GaussianSet gs; gs.setScfType(Uhf); gs.addBasis(0, GaussianSet::S); // 1 MO std::vector alpha = { 1.0 }; std::vector beta = { 0.5 }; gs.setMolecularOrbitals(alpha, BasisSet::Alpha); gs.setMolecularOrbitals(beta, BasisSet::Beta); EXPECT_EQ(gs.molecularOrbitalCount(BasisSet::Alpha), static_cast(1)); EXPECT_EQ(gs.molecularOrbitalCount(BasisSet::Beta), static_cast(1)); } TEST(GaussianSetTest, scfType) { GaussianSet gs; EXPECT_EQ(gs.scfType(), Rhf); gs.setScfType(Uhf); EXPECT_EQ(gs.scfType(), Uhf); gs.setScfType(Rohf); EXPECT_EQ(gs.scfType(), Rohf); gs.setScfType(Unknown); EXPECT_EQ(gs.scfType(), Unknown); } TEST(GaussianSetTest, functionalName) { GaussianSet gs; EXPECT_TRUE(gs.functionalName().empty()); gs.setFunctionalName("B3LYP"); EXPECT_EQ(gs.functionalName(), "B3LYP"); } TEST(GaussianSetTest, electronCount) { GaussianSet gs; gs.setElectronCount(2, BasisSet::Paired); EXPECT_EQ(gs.electronCount(BasisSet::Paired), static_cast(2)); gs.setElectronCount(1, BasisSet::Alpha); gs.setElectronCount(1, BasisSet::Beta); EXPECT_EQ(gs.electronCount(BasisSet::Alpha), static_cast(1)); EXPECT_EQ(gs.electronCount(BasisSet::Beta), static_cast(1)); } TEST(GaussianSetTest, clone) { GaussianSet gs; gs.addBasis(0, GaussianSet::S); gs.addBasis(0, GaussianSet::P); gs.setScfType(Uhf); gs.setFunctionalName("PBE"); GaussianSet* cloned = gs.clone(); EXPECT_EQ(cloned->molecularOrbitalCount(), gs.molecularOrbitalCount()); EXPECT_EQ(cloned->scfType(), Uhf); EXPECT_EQ(cloned->functionalName(), "PBE"); delete cloned; } OpenChemistry-avogadrolibs-ceb949f/tests/core/graphtest.cpp000066400000000000000000000104601516317240700242720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Graph; TEST(GraphTest, size) { Graph graph; EXPECT_EQ(graph.size(), static_cast(0)); Graph graph2(12); EXPECT_EQ(graph2.size(), static_cast(12)); } TEST(GraphTest, setSize) { Graph graph; EXPECT_EQ(graph.size(), static_cast(0)); graph.setSize(100); EXPECT_EQ(graph.size(), static_cast(100)); graph.setSize(50); EXPECT_EQ(graph.size(), static_cast(50)); } TEST(GraphTest, isEmpty) { Graph graph; EXPECT_EQ(graph.isEmpty(), true); graph.addVertex(); EXPECT_EQ(graph.isEmpty(), false); graph.clear(); EXPECT_EQ(graph.isEmpty(), true); } TEST(GraphTest, clear) {} TEST(GraphTest, addVertex) { Graph graph; size_t index = graph.addVertex(); EXPECT_EQ(index, 0); EXPECT_EQ(graph.size(), static_cast(1)); index = graph.addVertex(); EXPECT_EQ(index, 1); index = graph.addVertex(); EXPECT_EQ(index, 2); } TEST(GraphTest, removeVertex) { Graph graph(4); EXPECT_EQ(graph.size(), static_cast(4)); graph.removeVertex(0); EXPECT_EQ(graph.size(), static_cast(3)); graph.removeVertex(2); EXPECT_EQ(graph.size(), static_cast(2)); } TEST(GraphTest, removeVertexUpdatesLoneVertices) { Graph graph(1); graph.removeVertex(0); EXPECT_EQ(graph.size(), static_cast(0)); EXPECT_EQ(graph.subgraphsCount(), static_cast(0)); EXPECT_TRUE(graph.connectedComponents().empty()); } TEST(GraphTest, vertexCount) { Graph graph; EXPECT_EQ(graph.vertexCount(), static_cast(0)); graph.addVertex(); EXPECT_EQ(graph.vertexCount(), static_cast(1)); graph.addVertex(); EXPECT_EQ(graph.vertexCount(), static_cast(2)); graph.removeVertex(1); EXPECT_EQ(graph.vertexCount(), static_cast(1)); graph.clear(); EXPECT_EQ(graph.vertexCount(), static_cast(0)); } TEST(GraphTest, addEdge) { Graph graph(5); EXPECT_EQ(graph.edgeCount(), static_cast(0)); graph.addEdge(0, 1); EXPECT_EQ(graph.edgeCount(), 1); EXPECT_EQ(graph.containsEdge(0, 1), true); graph.addEdge(1, 4); EXPECT_EQ(graph.edgeCount(), 2); EXPECT_EQ(graph.containsEdge(1, 4), true); } TEST(GraphTest, removeEdge) { Graph graph(5); graph.addEdge(0, 1); graph.addEdge(1, 4); } TEST(GraphTest, removeEdgesRemovesAllIncidentEdges) { Graph graph(4); graph.addEdge(0, 1); graph.addEdge(0, 2); graph.addEdge(0, 3); EXPECT_EQ(graph.edgeCount(), static_cast(3)); graph.removeEdges(0); EXPECT_EQ(graph.edgeCount(), static_cast(0)); EXPECT_EQ(graph.degree(0), static_cast(0)); EXPECT_EQ(graph.degree(1), static_cast(0)); EXPECT_EQ(graph.degree(2), static_cast(0)); EXPECT_EQ(graph.degree(3), static_cast(0)); } TEST(GraphTest, edgeCount) { Graph graph(3); EXPECT_EQ(graph.edgeCount(), static_cast(0)); graph.addEdge(0, 1); EXPECT_EQ(graph.edgeCount(), static_cast(1)); graph.addEdge(0, 2); EXPECT_EQ(graph.edgeCount(), static_cast(2)); graph.addEdge(1, 2); EXPECT_EQ(graph.edgeCount(), static_cast(3)); graph.removeEdge(0, 1); EXPECT_EQ(graph.edgeCount(), static_cast(2)); graph.clear(); EXPECT_EQ(graph.edgeCount(), static_cast(0)); } TEST(GraphTest, connectedComponents) { Graph graph(6); EXPECT_EQ(graph.connectedComponents().size(), static_cast(6)); graph.addEdge(0, 1); graph.addEdge(1, 2); graph.addEdge(3, 4); EXPECT_EQ(graph.connectedComponents().size(), static_cast(3)); graph.addEdge(4, 5); EXPECT_EQ(graph.connectedComponents().size(), static_cast(2)); graph.addEdge(3, 2); EXPECT_EQ(graph.connectedComponents().size(), static_cast(1)); graph.addEdge(1, 4); EXPECT_EQ(graph.connectedComponents().size(), static_cast(1)); graph.removeEdge(2, 3); EXPECT_EQ(graph.connectedComponents().size(), static_cast(1)); graph.removeEdges(4); EXPECT_EQ(graph.connectedComponents().size(), static_cast(4)); } OpenChemistry-avogadrolibs-ceb949f/tests/core/internalcoordinatestest.cpp000066400000000000000000000211731516317240700272430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::Core::cartesianToInternal; using Avogadro::Core::InternalCoordinate; using Avogadro::Core::internalToCartesian; using Avogadro::Core::Molecule; namespace { // Compare interatomic distances rather than absolute positions // since internal->Cartesian reconstruction may differ in orientation double distance(const Vector3& a, const Vector3& b) { return (a - b).norm(); } } // namespace TEST(InternalCoordinatesTest, emptyMolecule) { Molecule mol; Array ic = cartesianToInternal(mol); EXPECT_EQ(ic.size(), static_cast(0)); } TEST(InternalCoordinatesTest, singleAtom) { Molecule mol; mol.addAtom(6).setPosition3d(Vector3(1.0, 2.0, 3.0)); Array ic = cartesianToInternal(mol); EXPECT_EQ(ic.size(), static_cast(1)); EXPECT_NEAR(ic[0].length, 0.0, 1e-6); } TEST(InternalCoordinatesTest, twoAtoms) { Molecule mol; mol.addAtom(6).setPosition3d(Vector3(0.0, 0.0, 0.0)); mol.addAtom(6).setPosition3d(Vector3(1.5, 0.0, 0.0)); mol.addBond(mol.atom(0), mol.atom(1), 1); Array ic = cartesianToInternal(mol); EXPECT_EQ(ic.size(), static_cast(2)); // Second atom should have length ~1.5 EXPECT_NEAR(ic[1].length, 1.5, 1e-4); } TEST(InternalCoordinatesTest, chainRoundTrip) { // Chain molecule (propane-like): C-C-C // Round-trip works for chain topologies where BFS tree gives // proper parent/grandparent references Molecule mol; mol.addAtom(6).setPosition3d(Vector3(0.0, 0.0, 0.0)); mol.addAtom(6).setPosition3d(Vector3(1.54, 0.0, 0.0)); mol.addAtom(6).setPosition3d(Vector3(2.31, 1.26, 0.0)); mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); // Get original interatomic distances double d01_orig = distance(mol.atom(0).position3d(), mol.atom(1).position3d()); double d12_orig = distance(mol.atom(1).position3d(), mol.atom(2).position3d()); // Convert to internal coordinates Array ic = cartesianToInternal(mol); EXPECT_EQ(ic.size(), static_cast(3)); // Verify bond lengths in internal coords EXPECT_NEAR(ic[1].length, d01_orig, 1e-4); EXPECT_NEAR(ic[2].length, d12_orig, 1e-4); // Convert back to Cartesian Array newCoords = internalToCartesian(mol, ic); EXPECT_EQ(newCoords.size(), static_cast(3)); // Compare interatomic distances double d01_new = distance(newCoords[0], newCoords[1]); double d12_new = distance(newCoords[1], newCoords[2]); EXPECT_NEAR(d01_new, d01_orig, 1e-4); EXPECT_NEAR(d12_new, d12_orig, 1e-4); } TEST(InternalCoordinatesTest, butaneRoundTrip) { // Butane chain: C-C-C-C (tests dihedral code path) Molecule mol; mol.addAtom(6).setPosition3d(Vector3(0.0, 0.0, 0.0)); mol.addAtom(6).setPosition3d(Vector3(1.54, 0.0, 0.0)); mol.addAtom(6).setPosition3d(Vector3(2.31, 1.26, 0.0)); mol.addAtom(6).setPosition3d(Vector3(3.85, 1.26, 0.0)); mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(1), mol.atom(2), 1); mol.addBond(mol.atom(2), mol.atom(3), 1); // Store original pairwise distances std::vector origDist; for (int i = 0; i < 4; ++i) for (int j = i + 1; j < 4; ++j) origDist.push_back( distance(mol.atom(i).position3d(), mol.atom(j).position3d())); // Round-trip Array ic = cartesianToInternal(mol); EXPECT_EQ(ic.size(), static_cast(4)); Array newCoords = internalToCartesian(mol, ic); EXPECT_EQ(newCoords.size(), static_cast(4)); // Compare all pairwise distances int idx = 0; for (int i = 0; i < 4; ++i) for (int j = i + 1; j < 4; ++j) { double newDist = distance(newCoords[i], newCoords[j]); EXPECT_NEAR(newDist, origDist[idx], 1e-3) << "Distance mismatch between atoms " << i << " and " << j; ++idx; } } TEST(InternalCoordinatesTest, waterFromInternal) { // Water (H2O) star topology: start from internal coords, // convert to Cartesian, then back to internal Molecule mol; mol.addAtom(8); // O mol.addAtom(1); // H mol.addAtom(1); // H mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(0), mol.atom(2), 1); Array ic(3); // Atom 0 (O): placed at origin // (defaults: a=b=c=MaxIndex, length=angle=dihedral=0) // Atom 1 (H): 0.96 A from O ic[1].a = 0; ic[1].length = 0.96; // Atom 2 (H): 0.96 A from O, H-O-H angle = 104.5 deg ic[2].a = 0; ic[2].b = 1; ic[2].length = 0.96; ic[2].angle = 104.5; // Convert to Cartesian Array coords = internalToCartesian(mol, ic); ASSERT_EQ(coords.size(), static_cast(3)); // Verify O-H bond lengths EXPECT_NEAR(distance(coords[0], coords[1]), 0.96, 1e-4); EXPECT_NEAR(distance(coords[0], coords[2]), 0.96, 1e-4); // Verify H-O-H angle via H-H distance // H-H = 2 * r * sin(theta/2) double expectedHH = 2.0 * 0.96 * std::sin(104.5 / 2.0 * M_PI / 180.0); EXPECT_NEAR(distance(coords[1], coords[2]), expectedHH, 1e-3); // Set positions on molecule and convert back to internal for (size_t i = 0; i < 3; ++i) mol.atom(i).setPosition3d(coords[i]); Array ic2 = cartesianToInternal(mol); ASSERT_EQ(ic2.size(), static_cast(3)); // Bond lengths should survive the round-trip EXPECT_NEAR(ic2[1].length, 0.96, 1e-4); EXPECT_NEAR(ic2[2].length, 0.96, 1e-4); } TEST(InternalCoordinatesTest, methaneFromInternal) { // Methane (CH4) star topology: start from internal coords, // convert to Cartesian, then back to internal Molecule mol; mol.addAtom(6); // C mol.addAtom(1); // H mol.addAtom(1); // H mol.addAtom(1); // H mol.addAtom(1); // H mol.addBond(mol.atom(0), mol.atom(1), 1); mol.addBond(mol.atom(0), mol.atom(2), 1); mol.addBond(mol.atom(0), mol.atom(3), 1); mol.addBond(mol.atom(0), mol.atom(4), 1); Real chBond = 1.09; Real tetAngle = 109.4712; // tetrahedral angle in degrees Array ic(5); // Atom 0 (C): origin // Atom 1 (H): bonded to C ic[1].a = 0; ic[1].length = chBond; // Atom 2 (H): bonded to C, angle H-C-H = tetrahedral ic[2].a = 0; ic[2].b = 1; ic[2].length = chBond; ic[2].angle = tetAngle; // Atom 3 (H): bonded to C, tetrahedral angle, dihedral = 120 deg ic[3].a = 0; ic[3].b = 1; ic[3].c = 2; ic[3].length = chBond; ic[3].angle = tetAngle; ic[3].dihedral = 120.0; // Atom 4 (H): bonded to C, tetrahedral angle, dihedral = -120 deg ic[4].a = 0; ic[4].b = 1; ic[4].c = 2; ic[4].length = chBond; ic[4].angle = tetAngle; ic[4].dihedral = -120.0; // Convert to Cartesian Array coords = internalToCartesian(mol, ic); ASSERT_EQ(coords.size(), static_cast(5)); // All C-H bond lengths should be chBond for (int i = 1; i <= 4; ++i) EXPECT_NEAR(distance(coords[0], coords[i]), chBond, 1e-4) << "C-H" << i << " bond length"; // All H-H distances should be equal (tetrahedral symmetry) // H-H = chBond * sqrt(8/3) Real expectedHH = chBond * std::sqrt(8.0 / 3.0); for (int i = 1; i <= 4; ++i) for (int j = i + 1; j <= 4; ++j) EXPECT_NEAR(distance(coords[i], coords[j]), expectedHH, 1e-3) << "H" << i << "-H" << j << " distance"; // Set positions on molecule and convert back to internal for (size_t i = 0; i < 5; ++i) mol.atom(i).setPosition3d(coords[i]); Array ic2 = cartesianToInternal(mol); ASSERT_EQ(ic2.size(), static_cast(5)); // All C-H bond lengths should survive the round-trip for (int i = 1; i <= 4; ++i) EXPECT_NEAR(ic2[i].length, chBond, 1e-4) << "Round-trip C-H" << i << " bond length"; } TEST(InternalCoordinatesTest, linearTriatomic) { // CO2-like: O-C-O along x-axis Molecule mol; mol.addAtom(8).setPosition3d(Vector3(-1.16, 0.0, 0.0)); mol.addAtom(6).setPosition3d(Vector3(0.0, 0.0, 0.0)); mol.addAtom(8).setPosition3d(Vector3(1.16, 0.0, 0.0)); mol.addBond(mol.atom(0), mol.atom(1), 2); mol.addBond(mol.atom(1), mol.atom(2), 2); Array ic = cartesianToInternal(mol); EXPECT_EQ(ic.size(), static_cast(3)); // Verify bond lengths EXPECT_NEAR(ic[1].length, 1.16, 1e-3); EXPECT_NEAR(ic[2].length, 1.16, 1e-3); } OpenChemistry-avogadrolibs-ceb949f/tests/core/meshtest.cpp000066400000000000000000000042161516317240700241270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Core::Color3f; using Avogadro::Core::Mesh; class MeshTest : public testing::Test { public: MeshTest(); void assertEquals(const Mesh& m1, const Mesh& m2); protected: Mesh m_testMesh; }; MeshTest::MeshTest() { Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); m_testMesh.setColors(colors); m_testMesh.setNormals(normals); m_testMesh.setVertices(vertices); m_testMesh.setIsoValue(1.2f); m_testMesh.setName("testmesh"); m_testMesh.setOtherMesh(1); } void MeshTest::assertEquals(const Mesh& m1, const Mesh& m2) { EXPECT_EQ(m1.otherMesh(), m2.otherMesh()); EXPECT_EQ(m1.name(), m2.name()); EXPECT_EQ(m1.isoValue(), m2.isoValue()); EXPECT_TRUE(m1.vertices() == m2.vertices()); const Array colors1 = m1.colors(); const Array colors2 = m1.colors(); EXPECT_EQ(colors1.size(), colors2.size()); int i = 0; for (Array::const_iterator it = colors1.begin(), itEnd = colors1.end(); it != itEnd; ++it) { EXPECT_EQ(it->red(), colors2[i].red()); EXPECT_EQ(it->green(), colors2[i].green()); EXPECT_EQ(it->blue(), colors2[i].blue()); ++i; } EXPECT_TRUE(m1.normals() == m2.normals()); } TEST_F(MeshTest, copy) { Mesh copy(m_testMesh); assertEquals(m_testMesh, copy); EXPECT_NE(m_testMesh.lock(), copy.lock()); } TEST_F(MeshTest, assigment) { Mesh assign = m_testMesh; assertEquals(m_testMesh, assign); EXPECT_NE(m_testMesh.lock(), assign.lock()); } OpenChemistry-avogadrolibs-ceb949f/tests/core/moleculetest.cpp000066400000000000000000000332101516317240700247740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "utils.h" #include #include #include #include #include #include #include using Avogadro::Index; using Avogadro::Vector2; using Avogadro::Vector3; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Color3f; using Avogadro::Core::Mesh; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Core::Variant; using Avogadro::Core::VariantMap; class MoleculeTest : public testing::Test { public: MoleculeTest(); protected: Molecule m_testMolecule; }; MoleculeTest::MoleculeTest() { Atom o1 = m_testMolecule.addAtom(8); Atom h2 = m_testMolecule.addAtom(1); Atom h3 = m_testMolecule.addAtom(1); o1.setPosition3d(Vector3(0, 0, 0)); h2.setPosition3d(Vector3(0.6, -0.5, 0)); h3.setPosition3d(Vector3(-0.6, -0.5, 0)); o1.setPosition2d(Vector2(0, 0)); h2.setPosition2d(Vector2(0.6, -0.5)); h3.setPosition2d(Vector2(-0.6, -0.5)); // Add some data VariantMap data; data.setValue("test", Variant("test")); m_testMolecule.setDataMap(data); // Add some bonds m_testMolecule.perceiveBondsSimple(); Mesh* mesh = m_testMolecule.addMesh(); Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); mesh->setColors(colors); mesh->setNormals(normals); mesh->setVertices(vertices); mesh->setIsoValue(1.2f); mesh->setName("testmesh"); mesh->setOtherMesh(1); mesh->setStable(false); } TEST_F(MoleculeTest, addAtom) { Molecule molecule; EXPECT_EQ(molecule.atomCount(), static_cast(0)); Avogadro::Core::Atom atom = molecule.addAtom(6); EXPECT_EQ(atom.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(1)); EXPECT_EQ(atom.index(), 0); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); Avogadro::Core::Atom atom2 = molecule.addAtom(1); EXPECT_EQ(atom2.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(2)); EXPECT_EQ(atom2.index(), 1); EXPECT_EQ(atom2.atomicNumber(), static_cast(1)); } TEST_F(MoleculeTest, removeAtom) { Molecule molecule; Atom atom0 = molecule.addAtom(6); Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(1); Atom atom3 = molecule.addAtom(1); Atom atom4 = molecule.addAtom(1); molecule.addBond(atom0, atom1, 1); molecule.addBond(atom0, atom2, 1); molecule.addBond(atom0, atom3, 1); molecule.addBond(atom0, atom4, 1); EXPECT_EQ(5, molecule.atomCount()); EXPECT_EQ(4, molecule.bondCount()); molecule.removeAtom(atom0); EXPECT_EQ(4, molecule.atomCount()); EXPECT_EQ(0, molecule.bondCount()); molecule.clearAtoms(); EXPECT_EQ(0, molecule.atomCount()); } TEST_F(MoleculeTest, addBond) { Molecule molecule; EXPECT_EQ(molecule.bondCount(), static_cast(0)); Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); EXPECT_TRUE(bondAB.isValid()); EXPECT_EQ(bondAB.molecule(), &molecule); EXPECT_EQ(molecule.bondCount(), static_cast(1)); EXPECT_EQ(bondAB.index(), static_cast(0)); EXPECT_EQ(bondAB.atom1().index(), a.index()); EXPECT_EQ(bondAB.atom2().index(), b.index()); EXPECT_EQ(bondAB.order(), static_cast(1)); Atom c = molecule.addAtom(1); Bond bondBC = molecule.addBond(b, c, 2); EXPECT_TRUE(bondBC.isValid()); EXPECT_EQ(molecule.bondCount(), static_cast(2)); EXPECT_EQ(bondBC.index(), static_cast(1)); EXPECT_EQ(bondBC.order(), static_cast(2)); // try to lookup nonexistent bond Bond bond = molecule.bond(a, c); EXPECT_FALSE(bond.isValid()); // try to lookup bond between a and b bond = molecule.bond(a, b); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), a.index()); EXPECT_EQ(bond.atom2().index(), b.index()); // try to lookup bond between b and c by index bond = molecule.bond(1); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), b.index()); EXPECT_EQ(bond.atom2().index(), c.index()); } TEST_F(MoleculeTest, removeBond) { Molecule molecule; Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); Atom c = molecule.addAtom(1); molecule.addBond(b, c, 2); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(2, molecule.bondCount()); EXPECT_TRUE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.removeBond(bondAB); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(1, molecule.bondCount()); EXPECT_FALSE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.clearBonds(); EXPECT_EQ(0, molecule.bondCount()); } TEST_F(MoleculeTest, findBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Bond b = molecule.addBond(a1, a2, 1); EXPECT_EQ(molecule.bond(a1, a2).index(), b.index()); EXPECT_EQ(molecule.bond(a2, a1).index(), b.index()); Array bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 1); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a3, 1); EXPECT_EQ(molecule.bonds(a1).size(), 2); EXPECT_EQ(molecule.bonds(a3).size(), 1); } TEST_F(MoleculeTest, setData) { Molecule molecule; molecule.setData("name", "ethanol"); EXPECT_EQ(molecule.data("name").toString(), "ethanol"); } TEST_F(MoleculeTest, dataMap) { Molecule molecule; molecule.setData("name", "ethanol"); molecule.setData("formula", "C2H6O"); VariantMap varMap = molecule.dataMap(); varMap.setValue("SMILES", "CCO"); molecule.setDataMap(varMap); molecule.dataMap().setValue("CAS", "64-17-5"); std::vector dataNames = molecule.dataMap().names(); EXPECT_EQ(dataNames.size(), 4); EXPECT_EQ(molecule.hasData("name"), true); EXPECT_EQ(molecule.hasData("invalid"), false); EXPECT_EQ(molecule.data("name").toString(), "ethanol"); EXPECT_EQ(molecule.data("formula").toString(), "C2H6O"); EXPECT_EQ(molecule.data("SMILES").toString(), "CCO"); EXPECT_EQ(molecule.data("CAS").toString(), "64-17-5"); } TEST_F(MoleculeTest, perceiveBondsSimple) { Molecule molecule; Atom o1 = molecule.addAtom(8); Atom h2 = molecule.addAtom(1); Atom h3 = molecule.addAtom(1); o1.setPosition3d(Vector3(0, 0, 0)); h2.setPosition3d(Vector3(0.6, -0.5, 0)); h3.setPosition3d(Vector3(-0.6, -0.5, 0)); EXPECT_EQ(molecule.bondCount(), 0); molecule.perceiveBondsSimple(); EXPECT_EQ(molecule.bondCount(), 2); EXPECT_TRUE(molecule.bond(o1, h2).isValid()); EXPECT_TRUE(molecule.bond(o1, h3).isValid()); EXPECT_FALSE(molecule.bond(h2, h3).isValid()); } TEST_F(MoleculeTest, copy) { Molecule copy(m_testMolecule); assertEqual(m_testMolecule, copy); } TEST_F(MoleculeTest, assignment) { Molecule assign; assign = m_testMolecule; assertEqual(m_testMolecule, assign); } TEST_F(MoleculeTest, estimateVelocities) { Molecule molecule; Atom a1 = molecule.addAtom(1); Atom a2 = molecule.addAtom(1); Array coords0; coords0.push_back(Vector3(0.0, 0.0, 0.0)); coords0.push_back(Vector3(1.0, 0.0, 0.0)); molecule.setCoordinate3d(coords0, 0); molecule.setTimeStep(0.0, 0); Array coords1; coords1.push_back(Vector3(1.0, 0.0, 0.0)); coords1.push_back(Vector3(2.0, 0.0, 0.0)); molecule.setCoordinate3d(coords1, 1); molecule.setTimeStep(1.0, 1); Array coords2; coords2.push_back(Vector3(2.0, 0.0, 0.0)); coords2.push_back(Vector3(3.0, 0.0, 0.0)); molecule.setCoordinate3d(coords2, 2); molecule.setTimeStep(2.0, 2); molecule.estimateVelocities(); Array v0 = molecule.velocities(0); ASSERT_EQ(v0.size(), 2); EXPECT_NEAR(v0[0].x(), 1.0, 1e-5); EXPECT_NEAR(v0[1].x(), 1.0, 1e-5); Array v1 = molecule.velocities(1); ASSERT_EQ(v1.size(), 2); EXPECT_NEAR(v1[0].x(), 1.0, 1e-5); EXPECT_NEAR(v1[1].x(), 1.0, 1e-5); Array v2 = molecule.velocities(2); ASSERT_EQ(v2.size(), 2); EXPECT_NEAR(v2[0].x(), 1.0, 1e-5); EXPECT_NEAR(v2[1].x(), 1.0, 1e-5); } TEST_F(MoleculeTest, formulaCompositionBasic) { // Test basic composition without unit cell (H2O from test fixture) std::map comp = m_testMolecule.formulaComposition(); EXPECT_EQ(comp["O"], 1); EXPECT_EQ(comp["H"], 2); EXPECT_EQ(comp.size(), 2); } TEST_F(MoleculeTest, formulaCompositionIsotopes) { Molecule molecule; // Add regular hydrogen Atom h1 = molecule.addAtom(1); h1.setPosition3d(Vector3(0, 0, 0)); // Add deuterium (hydrogen isotope 2) Atom d1 = molecule.addAtom(1); d1.setPosition3d(Vector3(1, 0, 0)); molecule.setIsotope(d1.index(), 2); // Add tritium (hydrogen isotope 3) Atom t1 = molecule.addAtom(1); t1.setPosition3d(Vector3(2, 0, 0)); molecule.setIsotope(t1.index(), 3); // Add carbon-13 Atom c13 = molecule.addAtom(6); c13.setPosition3d(Vector3(3, 0, 0)); molecule.setIsotope(c13.index(), 13); // Add regular carbon Atom c12 = molecule.addAtom(6); c12.setPosition3d(Vector3(4, 0, 0)); std::map comp = molecule.formulaComposition(); EXPECT_EQ(comp["H"], 1); EXPECT_EQ(comp["D"], 1); EXPECT_EQ(comp["T"], 1); EXPECT_EQ(comp["13C"], 1); EXPECT_EQ(comp["C"], 1); } TEST_F(MoleculeTest, formulaCompositionUnitCellCorner) { Molecule molecule; // Create a simple cubic unit cell (10 Angstrom sides) UnitCell* cell = new UnitCell(10.0, 10.0, 10.0, M_PI / 2, M_PI / 2, M_PI / 2); molecule.setUnitCell(cell); // Add 8 corner atoms (each at a corner of the unit cell) // Each corner atom should count as 1/8, so 8 corners = 1 atom Vector3 corners[8] = { Vector3(0, 0, 0), Vector3(10, 0, 0), Vector3(0, 10, 0), Vector3(0, 0, 10), Vector3(10, 10, 0), Vector3(10, 0, 10), Vector3(0, 10, 10), Vector3(10, 10, 10) }; for (int i = 0; i < 8; ++i) { Atom a = molecule.addAtom(11); // Sodium a.setPosition3d(corners[i]); } std::map comp = molecule.formulaComposition(); // 8 corners * 1/8 = 1 EXPECT_EQ(comp["Na"], 1); } TEST_F(MoleculeTest, formulaCompositionUnitCellEdge) { Molecule molecule; // Create a simple cubic unit cell (10 Angstrom sides) UnitCell* cell = new UnitCell(10.0, 10.0, 10.0, M_PI / 2, M_PI / 2, M_PI / 2); molecule.setUnitCell(cell); // Add 4 edge atoms (each on an edge of the unit cell, 2 coords at 0 or 1) // Each edge atom should count as 1/4, so 4 edges = 1 atom Vector3 edges[4] = { Vector3(5, 0, 0), // edge along x at y=0, z=0 Vector3(5, 10, 0), // edge along x at y=1, z=0 Vector3(5, 0, 10), // edge along x at y=0, z=1 Vector3(5, 10, 10) // edge along x at y=1, z=1 }; for (int i = 0; i < 4; ++i) { Atom a = molecule.addAtom(17); // Chlorine a.setPosition3d(edges[i]); } std::map comp = molecule.formulaComposition(); // 4 edges * 1/4 = 1 EXPECT_EQ(comp["Cl"], 1); } TEST_F(MoleculeTest, formulaCompositionUnitCellFace) { Molecule molecule; // Create a simple cubic unit cell (10 Angstrom sides) UnitCell* cell = new UnitCell(10.0, 10.0, 10.0, M_PI / 2, M_PI / 2, M_PI / 2); molecule.setUnitCell(cell); // Add 2 face atoms (each on a face of the unit cell, 1 coord at 0 or 1) // Each face atom should count as 1/2, so 2 faces = 1 atom Vector3 faces[2] = { Vector3(5, 5, 0), // face at z=0 Vector3(5, 5, 10) // face at z=1 }; for (int i = 0; i < 2; ++i) { Atom a = molecule.addAtom(35); // Bromine a.setPosition3d(faces[i]); } std::map comp = molecule.formulaComposition(); // 2 faces * 1/2 = 1 EXPECT_EQ(comp["Br"], 1); } TEST_F(MoleculeTest, formulaCompositionUnitCellInterior) { Molecule molecule; // Create a simple cubic unit cell (10 Angstrom sides) UnitCell* cell = new UnitCell(10.0, 10.0, 10.0, M_PI / 2, M_PI / 2, M_PI / 2); molecule.setUnitCell(cell); // Add an interior atom (no coords at 0 or 1) // Should count as 1 Atom a = molecule.addAtom(26); // Iron a.setPosition3d(Vector3(5, 5, 5)); std::map comp = molecule.formulaComposition(); EXPECT_EQ(comp["Fe"], 1); } TEST_F(MoleculeTest, formulaCompositionUnitCellMixed) { Molecule molecule; // Create a simple cubic unit cell (10 Angstrom sides) UnitCell* cell = new UnitCell(10.0, 10.0, 10.0, M_PI / 2, M_PI / 2, M_PI / 2); molecule.setUnitCell(cell); // NaCl rock salt structure simulation: // 8 Na at corners = 8 * 1/8 = 1 Na Vector3 corners[8] = { Vector3(0, 0, 0), Vector3(10, 0, 0), Vector3(0, 10, 0), Vector3(0, 0, 10), Vector3(10, 10, 0), Vector3(10, 0, 10), Vector3(0, 10, 10), Vector3(10, 10, 10) }; for (int i = 0; i < 8; ++i) { Atom a = molecule.addAtom(11); // Na a.setPosition3d(corners[i]); } // 6 Cl at face centers = 6 * 1/2 = 3 Cl... but we want 1 Cl // So add 2 face atoms for 1 Cl Atom cl1 = molecule.addAtom(17); cl1.setPosition3d(Vector3(5, 5, 0)); // z=0 face Atom cl2 = molecule.addAtom(17); cl2.setPosition3d(Vector3(5, 5, 10)); // z=1 face std::map comp = molecule.formulaComposition(); EXPECT_EQ(comp["Na"], 1); EXPECT_EQ(comp["Cl"], 1); } OpenChemistry-avogadrolibs-ceb949f/tests/core/mutextest.cpp000066400000000000000000000013471516317240700243370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Mutex; TEST(MutexTest, lock) { Mutex mutex; mutex.lock(); int array[15]; array[4] = 1; mutex.unlock(); EXPECT_EQ(array[4], 1); } TEST(MutexTest, tryLock) { Mutex mutex; mutex.lock(); EXPECT_FALSE(mutex.tryLock()); int array[15]; array[4] = 2; mutex.unlock(); EXPECT_TRUE(mutex.tryLock()); mutex.unlock(); EXPECT_EQ(array[4], 2); } OpenChemistry-avogadrolibs-ceb949f/tests/core/neighborperceivertest.cpp000066400000000000000000000042211516317240700266710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::Core::NeighborPerceiver; TEST(NeighborPerceiverTest, positive) { Array points; points.push_back(Vector3(0.0, 0.0, 0.0)); points.push_back(Vector3(1.0, 0.0, 0.0)); points.push_back(Vector3(0.0, 1.5, 1.5)); points.push_back(Vector3(2.1, 0.0, 0.0)); NeighborPerceiver perceiver(points, 1.0f); auto neighbors = perceiver.getNeighborsInclusive(Vector3(0.0, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(3)); } TEST(NeighborPerceiverTest, negative) { Array points; points.push_back(Vector3(0.0, 0.0, 0.0)); points.push_back(Vector3(-1.0, 0.0, 0.0)); points.push_back(Vector3(0.0, -1.5, -1.5)); points.push_back(Vector3(-2.1, 0.0, 0.0)); NeighborPerceiver perceiver(points, 1.0f); auto neighbors = perceiver.getNeighborsInclusive(Vector3(0.0, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(3)); } TEST(NeighborPerceiverTest, bounds) { Array points; points.push_back(Vector3(0.0, 0.0, 0.0)); NeighborPerceiver perceiver(points, 1.0f); auto neighbors = perceiver.getNeighborsInclusive(Vector3(0.0, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(1)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(1.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(1)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(2.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(0)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(-0.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(1)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(-1.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(0)); } OpenChemistry-avogadrolibs-ceb949f/tests/core/residuetest.cpp000066400000000000000000000115241516317240700246330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Index; using Avogadro::Vector3; using Avogadro::Vector3ub; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Core::Residue; TEST(ResidueTest, defaultConstructor) { Residue r; EXPECT_EQ(r.residueName(), ""); EXPECT_EQ(r.chainId(), 'A'); EXPECT_FALSE(r.isHeterogen()); EXPECT_EQ(r.secondaryStructure(), Residue::undefined); } TEST(ResidueTest, constructorWithName) { std::string name = "ALA"; Residue r(name); EXPECT_EQ(r.residueName(), "ALA"); } TEST(ResidueTest, constructorWithNameAndNumber) { std::string name = "GLY"; Index number = 42; Residue r(name, number); EXPECT_EQ(r.residueName(), "GLY"); EXPECT_EQ(r.residueId(), static_cast(42)); } TEST(ResidueTest, constructorFull) { std::string name = "VAL"; Index number = 7; char id = 'B'; Residue r(name, number, id); EXPECT_EQ(r.residueName(), "VAL"); EXPECT_EQ(r.residueId(), static_cast(7)); EXPECT_EQ(r.chainId(), 'B'); } TEST(ResidueTest, copyAndAssignment) { std::string name = "LEU"; Index number = 3; char id = 'A'; Residue r1(name, number, id); r1.setSecondaryStructure(Residue::alphaHelix); r1.setHeterogen(true); // Copy constructor Residue r2(r1); EXPECT_EQ(r2.residueName(), "LEU"); EXPECT_EQ(r2.residueId(), static_cast(3)); EXPECT_EQ(r2.chainId(), 'A'); EXPECT_EQ(r2.secondaryStructure(), Residue::alphaHelix); EXPECT_TRUE(r2.isHeterogen()); // Assignment operator Residue r3; r3 = r1; EXPECT_EQ(r3.residueName(), "LEU"); EXPECT_EQ(r3.residueId(), static_cast(3)); } TEST(ResidueTest, settersGetters) { Residue r; std::string name = "PHE"; r.setResidueName(name); EXPECT_EQ(r.residueName(), "PHE"); Index id = 10; r.setResidueId(id); EXPECT_EQ(r.residueId(), static_cast(10)); r.setChainId('C'); EXPECT_EQ(r.chainId(), 'C'); r.setSecondaryStructure(Residue::betaSheet); EXPECT_EQ(r.secondaryStructure(), Residue::betaSheet); } TEST(ResidueTest, addAndLookupAtom) { Molecule mol; Atom ca = mol.addAtom(6); ca.setPosition3d(Vector3(1.0, 2.0, 3.0)); Residue r; r.addResidueAtom("CA", ca); Atom found = r.atomByName("CA"); EXPECT_TRUE(found.isValid()); EXPECT_EQ(found.index(), ca.index()); } TEST(ResidueTest, atomByNameNotFound) { Residue r; Atom notFound = r.atomByName("NONEXISTENT"); EXPECT_FALSE(notFound.isValid()); } TEST(ResidueTest, residueAtoms) { Molecule mol; Atom n = mol.addAtom(7); Atom ca = mol.addAtom(6); Atom c = mol.addAtom(6); Residue r; r.addResidueAtom("N", n); r.addResidueAtom("CA", ca); r.addResidueAtom("C", c); std::vector atoms = r.residueAtoms(); EXPECT_EQ(atoms.size(), static_cast(3)); } TEST(ResidueTest, hasAtomByIndex) { Molecule mol; Atom a0 = mol.addAtom(6); mol.addAtom(7); // index 1, not added to residue Atom a2 = mol.addAtom(8); Residue r; r.addResidueAtom("C", a0); r.addResidueAtom("O", a2); EXPECT_TRUE(r.hasAtomByIndex(0)); EXPECT_FALSE(r.hasAtomByIndex(1)); EXPECT_TRUE(r.hasAtomByIndex(2)); EXPECT_FALSE(r.hasAtomByIndex(99)); } TEST(ResidueTest, atomName) { Molecule mol; Atom n = mol.addAtom(7); Atom ca = mol.addAtom(6); Residue r; r.addResidueAtom("N", n); r.addResidueAtom("CA", ca); EXPECT_EQ(r.atomName(n), "N"); EXPECT_EQ(r.atomName(ca), "CA"); EXPECT_EQ(r.atomName(static_cast(0)), "N"); EXPECT_EQ(r.atomName(static_cast(1)), "CA"); } TEST(ResidueTest, heterogen) { Residue r; EXPECT_FALSE(r.isHeterogen()); r.setHeterogen(true); EXPECT_TRUE(r.isHeterogen()); r.setHeterogen(false); EXPECT_FALSE(r.isHeterogen()); } TEST(ResidueTest, customColor) { Residue r; Vector3ub red(255, 0, 0); r.setColor(red); EXPECT_EQ(r.color(), red); } TEST(ResidueTest, secondaryStructureEnum) { Residue r; r.setSecondaryStructure(Residue::alphaHelix); EXPECT_EQ(r.secondaryStructure(), Residue::alphaHelix); r.setSecondaryStructure(Residue::betaSheet); EXPECT_EQ(r.secondaryStructure(), Residue::betaSheet); r.setSecondaryStructure(Residue::helix310); EXPECT_EQ(r.secondaryStructure(), Residue::helix310); r.setSecondaryStructure(Residue::coil); EXPECT_EQ(r.secondaryStructure(), Residue::coil); r.setSecondaryStructure(Residue::turn); EXPECT_EQ(r.secondaryStructure(), Residue::turn); r.setSecondaryStructure(Residue::piHelix); EXPECT_EQ(r.secondaryStructure(), Residue::piHelix); r.setSecondaryStructure(Residue::undefined); EXPECT_EQ(r.secondaryStructure(), Residue::undefined); } OpenChemistry-avogadrolibs-ceb949f/tests/core/ringperceivertest.cpp000066400000000000000000000136101516317240700260350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::Molecule; using Avogadro::Core::RingPerceiver; TEST(RingPerceiverTest, benzene) { Molecule molecule; molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 2); molecule.addBond(molecule.atom(2), molecule.atom(3), 1); molecule.addBond(molecule.atom(3), molecule.atom(4), 2); molecule.addBond(molecule.atom(4), molecule.atom(5), 1); molecule.addBond(molecule.atom(5), molecule.atom(0), 2); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(1)); EXPECT_EQ(rings[0].size(), static_cast(6)); } TEST(RingPerceiverTest, ethanol) { Molecule molecule; molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(8); molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 1); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(0)); } TEST(RingPerceiverTest, naphthalene) { // Naphthalene: two fused 6-membered rings, 10 carbons // 0-1-2-3-4-5-0 (ring 1) // 4-5-6-7-8-9-4 ... but fused at bond 4-5 // Actually: 0-1-2-3-4-5-0 and 5-4-9-8-7-6-5 Molecule molecule; for (int i = 0; i < 10; ++i) molecule.addAtom(6); // Ring 1: 0-1-2-3-4-5-0 molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 1); molecule.addBond(molecule.atom(2), molecule.atom(3), 1); molecule.addBond(molecule.atom(3), molecule.atom(4), 1); molecule.addBond(molecule.atom(4), molecule.atom(5), 1); molecule.addBond(molecule.atom(5), molecule.atom(0), 1); // Ring 2 (fused at 4-5): 4-9-8-7-6-5 molecule.addBond(molecule.atom(4), molecule.atom(9), 1); molecule.addBond(molecule.atom(9), molecule.atom(8), 1); molecule.addBond(molecule.atom(8), molecule.atom(7), 1); molecule.addBond(molecule.atom(7), molecule.atom(6), 1); molecule.addBond(molecule.atom(6), molecule.atom(5), 1); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(2)); for (const auto& ring : rings) EXPECT_EQ(ring.size(), static_cast(6)); } TEST(RingPerceiverTest, cyclopropane) { // 3-membered ring: C-C-C Molecule molecule; molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 1); molecule.addBond(molecule.atom(2), molecule.atom(0), 1); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(1)); EXPECT_EQ(rings[0].size(), static_cast(3)); } TEST(RingPerceiverTest, spiro) { // Spiro[4.4]nonane: two 5-membered rings sharing atom 0 // Ring A: 0-1-2-3-4-0 // Ring B: 0-5-6-7-8-0 Molecule molecule; for (int i = 0; i < 9; ++i) molecule.addAtom(6); // Ring A molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 1); molecule.addBond(molecule.atom(2), molecule.atom(3), 1); molecule.addBond(molecule.atom(3), molecule.atom(4), 1); molecule.addBond(molecule.atom(4), molecule.atom(0), 1); // Ring B molecule.addBond(molecule.atom(0), molecule.atom(5), 1); molecule.addBond(molecule.atom(5), molecule.atom(6), 1); molecule.addBond(molecule.atom(6), molecule.atom(7), 1); molecule.addBond(molecule.atom(7), molecule.atom(8), 1); molecule.addBond(molecule.atom(8), molecule.atom(0), 1); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(2)); for (const auto& ring : rings) EXPECT_EQ(ring.size(), static_cast(5)); } TEST(RingPerceiverTest, cubane) { // Cubane: 8 vertices, 12 edges forming a cube // Bottom: 0-1-2-3, Top: 4-5-6-7 // Verticals: 0-4, 1-5, 2-6, 3-7 Molecule molecule; for (int i = 0; i < 8; ++i) molecule.addAtom(6); // Bottom face edges molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 1); molecule.addBond(molecule.atom(2), molecule.atom(3), 1); molecule.addBond(molecule.atom(3), molecule.atom(0), 1); // Top face edges molecule.addBond(molecule.atom(4), molecule.atom(5), 1); molecule.addBond(molecule.atom(5), molecule.atom(6), 1); molecule.addBond(molecule.atom(6), molecule.atom(7), 1); molecule.addBond(molecule.atom(7), molecule.atom(4), 1); // Vertical edges molecule.addBond(molecule.atom(0), molecule.atom(4), 1); molecule.addBond(molecule.atom(1), molecule.atom(5), 1); molecule.addBond(molecule.atom(2), molecule.atom(6), 1); molecule.addBond(molecule.atom(3), molecule.atom(7), 1); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); // SSSR of a cube has 5 independent rings (E - V + 1 = 12 - 8 + 1 = 5) EXPECT_EQ(rings.size(), static_cast(5)); for (const auto& ring : rings) EXPECT_EQ(ring.size(), static_cast(4)); } TEST(RingPerceiverTest, emptyMolecule) { Molecule molecule; RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(0)); } OpenChemistry-avogadrolibs-ceb949f/tests/core/secondarystructuretest.cpp000066400000000000000000000076141516317240700271500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Index; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Core::Residue; using Avogadro::Core::SecondaryStructureAssigner; TEST(SecondaryStructureTest, constructorWithNull) { SecondaryStructureAssigner ssa(nullptr); // Should not crash when given null } TEST(SecondaryStructureTest, emptyMolecule) { Molecule mol; SecondaryStructureAssigner ssa; ssa.assign(&mol); // Should not crash with no residues } TEST(SecondaryStructureTest, singleResidue) { Molecule mol; std::string name = "ALA"; Index num = 1; char chain = 'A'; Residue& res = mol.addResidue(name, num, chain); Atom n = mol.addAtom(7); n.setPosition3d(Vector3(0.0, 0.0, 0.0)); res.addResidueAtom("N", n); Atom o = mol.addAtom(8); o.setPosition3d(Vector3(1.2, 0.0, 0.0)); res.addResidueAtom("O", o); SecondaryStructureAssigner ssa; ssa.assign(&mol); // Single residue cannot form any secondary structure EXPECT_EQ(res.secondaryStructure(), Residue::undefined); } TEST(SecondaryStructureTest, noBackboneAtoms) { Molecule mol; // Create residues without N or O atoms (no backbone) for (int i = 0; i < 5; ++i) { std::string name = "UNK"; Index num = static_cast(i); char chain = 'A'; Residue& res = mol.addResidue(name, num, chain); Atom ca = mol.addAtom(6); // only a CA, no N or O ca.setPosition3d(Vector3(i * 1.5, 0.0, 0.0)); res.addResidueAtom("CA", ca); } SecondaryStructureAssigner ssa; ssa.assign(&mol); // All residues should stay undefined for (size_t i = 0; i < mol.residues().size(); ++i) EXPECT_EQ(mol.residue(i).secondaryStructure(), Residue::undefined); } TEST(SecondaryStructureTest, alphaHelixMinimal) { // Build ~10 residues with backbone N and O atoms positioned // to mimic an alpha helix. Alpha helix: ~3.6 residues/turn, // rise ~1.5 A/residue, radius ~2.3 A. // Place O_i close to N_{i+4} to create i,i+4 hydrogen bonds. Molecule mol; const int numResidues = 10; const double radius = 2.3; const double rise = 1.5; const double degreesPerResidue = 100.0; const double degToRad = M_PI / 180.0; for (int i = 0; i < numResidues; ++i) { std::string resName = "ALA"; Index resNum = static_cast(i); char chain = 'A'; Residue& res = mol.addResidue(resName, resNum, chain); // N atom at helix position double angle = i * degreesPerResidue * degToRad; Atom n = mol.addAtom(7); n.setPosition3d( Vector3(radius * cos(angle), radius * sin(angle), rise * i)); res.addResidueAtom("N", n); // O atom placed near where N_{i+4} will be // This creates the characteristic i,i+4 hydrogen bond pattern double oAngle = (i + 4) * degreesPerResidue * degToRad; double oZ = rise * (i + 4); Atom o = mol.addAtom(8); o.setPosition3d(Vector3(radius * cos(oAngle) + 0.2, radius * sin(oAngle) + 0.2, oZ + 0.2)); res.addResidueAtom("O", o); } SecondaryStructureAssigner ssa; ssa.assign(&mol); // Check that at least some middle residues are assigned alphaHelix // (edge residues may not be, and singleton removal may clear some) int helixCount = 0; for (int i = 0; i < numResidues; ++i) { if (mol.residue(i).secondaryStructure() == Residue::alphaHelix) ++helixCount; } // With 10 residues and proper geometry, we expect several to be alpha helix EXPECT_GT(helixCount, 0) << "Expected at least some residues to be assigned alpha helix"; } OpenChemistry-avogadrolibs-ceb949f/tests/core/spacegrouptest.cpp000066400000000000000000000504351516317240700253470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include using Avogadro::Matrix3; using Avogadro::Vector3; using Avogadro::Core::AvoSpglib; using Avogadro::Core::Molecule; using Avogadro::Core::SpaceGroups; using Avogadro::Core::UnitCell; using namespace std::string_literals; TEST(SpaceGroupTest, getSpaceGroup) { Molecule mol; // First, let's build rutile mol.setData("name", "TiO2 rutile"); Matrix3 mat; mat.col(0) = Vector3(2.95812, 0.00000, 0.00000); // A mat.col(1) = Vector3(0.00000, 4.59373, 0.00000); // B mat.col(2) = Vector3(0.00000, 0.00000, 4.59373); // C UnitCell* uc = new UnitCell(mat); mol.setUnitCell(uc); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.0, 0.3053, 0.3053))); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.0, 0.6947, 0.6947))); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.5, 0.1947, 0.8053))); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.5, 0.8053, 0.1947))); mol.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.0, 0.0, 0.0))); mol.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.5, 0.5, 0.5))); // Now let's find the space group of this crystal! double cartTol = 0.05; unsigned short hallNumber = AvoSpglib::getHallNumber(mol, cartTol); EXPECT_EQ(hallNumber, 419); unsigned short intNumber = SpaceGroups::internationalNumber(hallNumber); std::string schoenflies = SpaceGroups::schoenflies(hallNumber); std::string hallSymbol = SpaceGroups::hallSymbol(hallNumber); std::string intSymbol = SpaceGroups::internationalFull(hallNumber); EXPECT_EQ(intNumber, 136); EXPECT_EQ(schoenflies, "D4h^14"s); EXPECT_EQ(hallSymbol, "-P 4n 2n"s); EXPECT_EQ(intSymbol, "P 4_2/m 2_1/n 2/m"s); } // We're going to take a conventional cell, reduce it to the primitive form, // and check our results TEST(SpaceGroupTest, reduceToPrimitive) { // Let's build a primitive cell of corundum! Molecule primMol; Matrix3 primMat; primMat.col(0) = Vector3(5.12980369, 0.00000000, 0.00000000); // A primMat.col(1) = Vector3(2.92081932, 4.21707249, 0.00000000); // B primMat.col(2) = Vector3(2.92081932, 1.52998182, 3.92973995); // C UnitCell* primUC = new UnitCell(primMat); primMol.setUnitCell(primUC); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.94365, 0.55635, 0.25))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.25000, 0.94365, 0.55635))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.55635, 0.25000, 0.94365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.05635, 0.44365, 0.75000))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.75000, 0.05635, 0.44365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.44365, 0.75000, 0.05635))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.35217, 0.35217, 0.35217))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.14783, 0.14783, 0.14783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.64783, 0.64783, 0.64783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.85217, 0.85217, 0.85217))); // Now, let's build a conventional cell of corundum Molecule convMol; Matrix3 convMat; convMat.col(0) = Vector3(4.76060000, 0.00000000, 0.00000000); // A convMat.col(1) = Vector3(-2.3803000, 4.12280054, 0.00000000); // B convMat.col(2) = Vector3(0.00000000, 0.00000000, 12.99400000); // C UnitCell* convUC = new UnitCell(convMat); convMol.setUnitCell(convUC); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.00000000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.69365000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.30635000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.00000000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.30635000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.69365000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.33333333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.02698333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.63968333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.33333333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.63968333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.02698333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.66666667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.36031667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.97301667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.66666667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.97301667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.36031667, 0.41666667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.35217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.14783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.64783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.85217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.68550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.48116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.98116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.18550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.01883667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.81449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.31449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.51883667))); // This should reduce the number of atoms in convMol to be // equivalent to that of the primitive corundum EXPECT_TRUE(AvoSpglib::reduceToPrimitive(convMol, 1e-5)); // Numbers of atoms and volumes should be equal ASSERT_EQ(convMol.atomCount(), primMol.atomCount()); // We compare volumes as floats instead of doubles to allow for a little bit // of a difference between them. ASSERT_FLOAT_EQ(convMol.unitCell()->volume(), primMol.unitCell()->volume()); } // We're going to take a primitive cell, conventionalize it, // and check our results TEST(SpaceGroupTest, conventionalizeCell) { // Let's build a primitive cell of corundum! Molecule primMol; Matrix3 primMat; primMat.col(0) = Vector3(5.12980369, 0.00000000, 0.00000000); // A primMat.col(1) = Vector3(2.92081932, 4.21707249, 0.00000000); // B primMat.col(2) = Vector3(2.92081932, 1.52998182, 3.92973995); // C UnitCell* primUC = new UnitCell(primMat); primMol.setUnitCell(primUC); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.94365, 0.55635, 0.25000))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.25000, 0.94365, 0.55635))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.55635, 0.25000, 0.94365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.05635, 0.44365, 0.75000))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.75000, 0.05635, 0.44365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.44365, 0.75000, 0.05635))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.35217, 0.35217, 0.35217))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.14783, 0.14783, 0.14783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.64783, 0.64783, 0.64783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.85217, 0.85217, 0.85217))); // Now, let's build a conventional cell of corundum Molecule convMol; Matrix3 convMat; convMat.col(0) = Vector3(4.76060000, 0.00000000, 0.00000000); // A convMat.col(1) = Vector3(-2.3803000, 4.12280054, 0.00000000); // B convMat.col(2) = Vector3(0.00000000, 0.00000000, 12.99400000); // C UnitCell* convUC = new UnitCell(convMat); convMol.setUnitCell(convUC); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.00000000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.69365000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.30635000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.00000000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.30635000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.69365000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.33333333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.02698333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.63968333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.33333333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.63968333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.02698333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.66666667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.36031667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.97301667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.66666667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.97301667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.36031667, 0.41666667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.35217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.14783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.64783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.85217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.68550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.48116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.98116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.18550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.01883667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.81449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.31449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.51883667))); // This should increase the number of atoms in primMol to match // that of convMol EXPECT_TRUE(AvoSpglib::conventionalizeCell(primMol, 1e-5)); // Numbers of atoms and volumes should be identical ASSERT_EQ(convMol.atomCount(), primMol.atomCount()); // We compare volumes as floats instead of doubles to allow for a little bit // of a difference between them. ASSERT_FLOAT_EQ(convMol.unitCell()->volume(), primMol.unitCell()->volume()); } TEST(SpaceGroupTest, fillUnitCell) { double cartTol = 1e-5; // MgSiO3 - post-perovskite. Space group: Cmcm. Found in the mantle of the // earth. // http://crystallography.net/cod/9009217.html Molecule mol1; Matrix3 mat1; mat1.col(0) = Vector3(2.456, 0.000, 0.000); // A mat1.col(1) = Vector3(0.000, 8.042, 0.000); // B mat1.col(2) = Vector3(0.000, 0.000, 6.093); // C UnitCell* uc1 = new UnitCell(mat1); mol1.setUnitCell(uc1); mol1.addAtom(12).setPosition3d( uc1->toCartesian(Vector3(0.000, 0.253, 0.250))); mol1.addAtom(14).setPosition3d( uc1->toCartesian(Vector3(0.000, 0.000, 0.000))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.000, 0.923, 0.250))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.000, 0.631, 0.436))); // Now, let's perform a fillUnitCell. hallNumber 298 is Cmcm // International: 63 SpaceGroups::fillUnitCell(mol1, 298, cartTol); // It should now have a hall number of 298 unsigned short hallNumber1 = AvoSpglib::getHallNumber(mol1, cartTol); ASSERT_EQ(hallNumber1, 298); // It should now have 20 atoms ASSERT_EQ(mol1.atomCount(), 20); // CaMg(CO3)2 - dolomite. Space group: hexagonal R -3. It is a brittle // mineral found in limestones and other common places. // http://crystallography.net/cod/1517795.html Molecule mol2; Matrix3 mat2; mat2.col(0) = Vector3(4.808, 0.00000, 0.000); // A mat2.col(1) = Vector3(-2.404, 4.16385, 0.000); // B mat2.col(2) = Vector3(0.000, 0.00000, 16.022); // C UnitCell* uc2 = new UnitCell(mat2); mol2.setUnitCell(uc2); mol2.addAtom(20).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.0000))); mol2.addAtom(12).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.5000))); mol2.addAtom(6).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.24287))); mol2.addAtom(8).setPosition3d( uc2->toCartesian(Vector3(0.24796, 0.9653, 0.24402))); // Now, let's perform a fillUnitCell. hallNumber 436 is hexagonal R -3 // International: 148 SpaceGroups::fillUnitCell(mol2, 436, cartTol); // It should now have a hall number of 436 unsigned short hallNumber2 = AvoSpglib::getHallNumber(mol2, cartTol); ASSERT_EQ(hallNumber2, 436); // It should now have 30 atoms ASSERT_EQ(mol2.atomCount(), 30); // CaSiO3 - wollastonite. Space group: P -1. It is found in limestones // and other common minerals. Used in ceramics, brakes, clutches, // metalmaking, paint filler, and plastics. // http://crystallography.net/cod/9005777.html Molecule mol3; Matrix3 mat3; mat3.col(0) = Vector3(7.92580, 0.00000, 0.00000); // A mat3.col(1) = Vector3(-1.69967, 7.12014, 0.00000); // B mat3.col(2) = Vector3(-0.64243, -0.16033, 7.03420); // C UnitCell* uc3 = new UnitCell(mat3); mol3.setUnitCell(uc3); mol3.addAtom(20).setPosition3d( uc3->toCartesian(Vector3(0.198310, 0.42266, 0.76060))); mol3.addAtom(20).setPosition3d( uc3->toCartesian(Vector3(0.202410, 0.92919, 0.76401))); mol3.addAtom(20).setPosition3d( uc3->toCartesian(Vector3(0.503330, 0.75040, 0.52691))); mol3.addAtom(14).setPosition3d( uc3->toCartesian(Vector3(0.185100, 0.38750, 0.26840))); mol3.addAtom(14).setPosition3d( uc3->toCartesian(Vector3(0.184900, 0.95420, 0.26910))); mol3.addAtom(14).setPosition3d( uc3->toCartesian(Vector3(0.397300, 0.72360, 0.05610))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.303400, 0.46160, 0.46280))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.301400, 0.93850, 0.46410))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.570500, 0.76880, 0.19880))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.983200, 0.37390, 0.26550))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.981900, 0.86770, 0.26480))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.401800, 0.72660, 0.82960))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.218300, 0.17850, 0.22540))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.271300, 0.87040, 0.09380))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.273500, 0.51260, 0.09310))); // Now, let's perform a fillUnitCell. hallNumber 2 is hexagonal P -1 // International: 2 SpaceGroups::fillUnitCell(mol3, 2, cartTol); // It should now have a hall number of 2 unsigned short hallNumber3 = AvoSpglib::getHallNumber(mol3, cartTol); ASSERT_EQ(hallNumber3, 2); // It should now have 30 atoms ASSERT_EQ(mol3.atomCount(), 30); } TEST(SpaceGroupTest, reduceToAsymmetricUnit) { double cartTol = 1e-5; // Let's build rutile for the first test Molecule mol1; mol1.setData("name", "TiO2 rutile"); Matrix3 mat1; mat1.col(0) = Vector3(2.95812, 0.00000, 0.00000); // A mat1.col(1) = Vector3(0.00000, 4.59373, 0.00000); // B mat1.col(2) = Vector3(0.00000, 0.00000, 4.59373); // C UnitCell* uc1 = new UnitCell(mat1); mol1.setUnitCell(uc1); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.0, 0.3053, 0.3053))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.0, 0.6947, 0.6947))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.5, 0.1947, 0.8053))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.5, 0.8053, 0.1947))); mol1.addAtom(22).setPosition3d(uc1->toCartesian(Vector3(0.0, 0.0, 0.0))); mol1.addAtom(22).setPosition3d(uc1->toCartesian(Vector3(0.5, 0.5, 0.5))); // This is space group international number 136 - the space group of rutile unsigned short hallNumber1 = 419; SpaceGroups::reduceToAsymmetricUnit(mol1, hallNumber1, cartTol); // There should now only be two atoms and two types: O and Ti ASSERT_EQ(mol1.atomCount(), 2); ASSERT_EQ(mol1.atomicNumbers().size(), 2); // Reducing a cell to its asymmetric unit is essentially the reverse of // filling a unit cell. So let's fill a unit cell, reduce it to its // asymmetric unit, and then check to see if it is back to its original state // CaMg(CO3)2 - dolomite. Space group: hexagonal R -3. It is a brittle // mineral found in limestones and other common places. // http://crystallography.net/cod/1517795.html Molecule mol2; Matrix3 mat2; mat2.col(0) = Vector3(4.808, 0.00000, 0.000); // A mat2.col(1) = Vector3(-2.404, 4.16385, 0.000); // B mat2.col(2) = Vector3(0.000, 0.00000, 16.022); // C UnitCell* uc2 = new UnitCell(mat2); mol2.setUnitCell(uc2); mol2.addAtom(20).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.0000))); mol2.addAtom(12).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.5000))); mol2.addAtom(6).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.24287))); mol2.addAtom(8).setPosition3d( uc2->toCartesian(Vector3(0.24796, 0.9653, 0.24402))); // Now, let's perform a fillUnitCell. hallNumber 436 is hexagonal R -3 // International: 148 SpaceGroups::fillUnitCell(mol2, 436, cartTol); // It should now have a hall number of 436 unsigned short hallNumber2 = AvoSpglib::getHallNumber(mol2, cartTol); ASSERT_EQ(hallNumber2, 436); // It should now have 30 atoms ASSERT_EQ(mol2.atomCount(), 30); // Now let's revert it back to its original state SpaceGroups::reduceToAsymmetricUnit(mol2, 436, cartTol); // It should have 4 atoms again and 4 atom types ASSERT_EQ(mol2.atomCount(), 4); ASSERT_EQ(mol2.atomicNumbers().size(), 4); } OpenChemistry-avogadrolibs-ceb949f/tests/core/unitcelltest.cpp000066400000000000000000001315561516317240700250220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include using namespace Avogadro; using namespace Avogadro::Core; // use alpha, beta, gamma in degrees Molecule createCrystal(Real a, Real b, Real c, Real alpha, Real beta, Real gamma) { Molecule mol; mol.setUnitCell(new UnitCell); mol.unitCell()->setCellParameters(a, b, c, alpha * DEG_TO_RAD, beta * DEG_TO_RAD, gamma * DEG_TO_RAD); return mol; } Molecule createCrystal(const Vector3& a, const Vector3& b, const Vector3& c) { Molecule mol; mol.setUnitCell(new UnitCell{ a, b, c }); return mol; } // use alpha, beta, gamma in degrees bool checkParams(const UnitCell& cell, Real a, Real b, Real c, Real alpha, Real beta, Real gamma) { Real aRad = alpha * DEG_TO_RAD; Real bRad = beta * DEG_TO_RAD; Real gRad = gamma * DEG_TO_RAD; if (std::fabs(cell.a() - a) > 1e-3 || std::fabs(cell.b() - b) > 1e-3 || std::fabs(cell.c() - c) > 1e-3 || std::fabs(cell.alpha() - aRad) > 1e-3 || std::fabs(cell.beta() - bRad) > 1e-3 || std::fabs(cell.gamma() - gRad) > 1e-3) { std::cerr << "Actual cell: " << "a=" << cell.a() << " " << "b=" << cell.b() << " " << "c=" << cell.c() << " " << "alpha=" << cell.alpha() * RAD_TO_DEG << " " << "beta=" << cell.beta() * RAD_TO_DEG << " " << "gamma=" << cell.gamma() * RAD_TO_DEG << std::endl; return false; } return true; } TEST(UnitCellTest, cellParameters) { Real a = static_cast(2.0); Real b = static_cast(3.0); Real c = static_cast(4.0); Real alpha = static_cast(70 * DEG_TO_RAD); Real beta = static_cast(120 * DEG_TO_RAD); Real gamma = static_cast(85 * DEG_TO_RAD); const Vector3 ux{ 1.0, 0.0, 0.0 }, uy{ 0.0, 1.0, 0.0 }, uz{ 0.0, 0.0, 1.0 }, zero{ 0.0, 0.0, 0.0 }; EXPECT_TRUE(UnitCell(a, b, c, alpha, beta, gamma).isRegular()); EXPECT_FALSE(UnitCell(a, b, 0.0, alpha, beta, gamma).isRegular()); EXPECT_FALSE(UnitCell(a, b, c, 0.0, beta, gamma).isRegular()); EXPECT_FALSE(UnitCell(a, b, c, alpha, beta, 360 * DEG_TO_RAD).isRegular()); EXPECT_FALSE(UnitCell(zero, uy, uz).isRegular()); EXPECT_FALSE(UnitCell(ux, -2.0 * ux, uz).isRegular()); Matrix3 m; m.col(0) = ux; m.col(1) = uy; m.col(2) = uz; EXPECT_TRUE(UnitCell{ m }.isRegular()); m.col(0) = ux; m.col(1) = zero; m.col(2) = uz; EXPECT_FALSE(UnitCell{ m }.isRegular()); m.col(0) = 2 * ux + uy + uz; m.col(1) = ux + uy; m.col(2) = 0.5 * (ux + uz); EXPECT_FALSE(UnitCell{ m }.isRegular()); UnitCell unitCell; unitCell.setCellParameters(a, b, c, alpha, beta, gamma); EXPECT_FLOAT_EQ(static_cast(a), static_cast(unitCell.a())); EXPECT_FLOAT_EQ(static_cast(b), static_cast(unitCell.b())); EXPECT_FLOAT_EQ(static_cast(c), static_cast(unitCell.c())); EXPECT_FLOAT_EQ(static_cast(alpha), static_cast(unitCell.alpha())); EXPECT_FLOAT_EQ(static_cast(beta), static_cast(unitCell.beta())); EXPECT_FLOAT_EQ(static_cast(gamma), static_cast(unitCell.gamma())); } TEST(UnitCellTest, niggliReduce_G1973) { // Test from Gruber 1973 Molecule mol = createCrystal(static_cast(2.0), static_cast(11.661904), static_cast(8.7177979), static_cast(139.66731), static_cast(152.74610), static_cast(19.396626)); EXPECT_FALSE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE(CrystalTools::niggliReduce(mol)); EXPECT_TRUE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE( checkParams(*mol.unitCell(), static_cast(2.0), static_cast(4.0), static_cast(4.0), static_cast(60.0000), static_cast(79.1931), static_cast(75.5225))); } TEST(UnitCellTest, niggliReduce_GK1976) { // Test from Gruber-Krivy 1976 Molecule mol = createCrystal(static_cast(3.0), static_cast(5.1961524), static_cast(2.0), static_cast(103.91975), static_cast(109.47122), static_cast(134.88211)); EXPECT_FALSE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE(CrystalTools::niggliReduce(mol)); EXPECT_TRUE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE( checkParams(*mol.unitCell(), static_cast(2.0), static_cast(3.0), static_cast(3.0), static_cast(60.0000), static_cast(75.5225), static_cast(70.5288))); } // For the rotate test, just make sure that the cell parameters are the same // before and after the rotation. #define RTSO_INIT \ Real a, b, c, alpha, beta, gamma; \ Matrix3 mat; \ Molecule mol #define RTSO_DO_TEST \ a = mol.unitCell()->a(); \ b = mol.unitCell()->b(); \ c = mol.unitCell()->c(); \ alpha = mol.unitCell()->alpha(); \ beta = mol.unitCell()->beta(); \ gamma = mol.unitCell()->gamma(); \ EXPECT_TRUE(CrystalTools::rotateToStandardOrientation(mol)); \ EXPECT_FLOAT_EQ(static_cast(a), \ static_cast(mol.unitCell()->a())); \ EXPECT_FLOAT_EQ(static_cast(b), \ static_cast(mol.unitCell()->b())); \ EXPECT_FLOAT_EQ(static_cast(c), \ static_cast(mol.unitCell()->c())); \ EXPECT_FLOAT_EQ(static_cast(alpha), \ static_cast(mol.unitCell()->alpha())); \ EXPECT_FLOAT_EQ(static_cast(beta), \ static_cast(mol.unitCell()->beta())); \ EXPECT_FLOAT_EQ(static_cast(gamma), \ static_cast(mol.unitCell()->gamma())) #define RTSO_TEST_PARAMS(a_, b_, c_, alpha_, beta_, gamma_) \ mol = createCrystal(static_cast(a_), static_cast(b_), \ static_cast(c_), static_cast(alpha_), \ static_cast(beta_), static_cast(gamma_)); \ RTSO_DO_TEST #define RTSO_TEST_MATRIX(v1x, v1y, v1z, v2x, v2y, v2z, v3x, v3y, v3z) \ mat.col(0) = Vector3(static_cast(v1x), static_cast(v1y), \ static_cast(v1z)); \ mat.col(1) = Vector3(static_cast(v2x), static_cast(v2y), \ static_cast(v2z)); \ mat.col(2) = Vector3(static_cast(v3x), static_cast(v3y), \ static_cast(v3z)); \ CrystalTools::setCellMatrix(mol, mat); \ RTSO_DO_TEST TEST(UnitCellTest, rotateToStandardOrientation) { RTSO_INIT; RTSO_TEST_PARAMS(3, 3, 3, 90, 90, 90); RTSO_TEST_PARAMS(3, 3, 3, 70, 90, 80); RTSO_TEST_PARAMS(3, 3, 3, 120, 123, 100); RTSO_TEST_PARAMS(4, 3, 1, 75.44444, 68.33333, 123.15682); RTSO_TEST_MATRIX(1, -4, 3, 0, 5, -8, 0, 0, -3); RTSO_TEST_MATRIX(1, 3, 6, -4, 5, -1, 3, -8, -3); } TEST(UnitCellTest, rotateToStandardOrientation_rightHanded) { // left-handed systems { // [j, -k, i] auto mol = createCrystal({ 0.0, 4.0, 0.0 }, { 0.0, 0.0, -5.0 }, { 6.0, 0.0, 0.0 }); EXPECT_TRUE(CrystalTools::rotateToStandardOrientation( mol, CrystalTools::RightHanded)); const auto& uc = *mol.unitCell(); EXPECT_EQ(uc.aVector(), Vector3(4.0, 0.0, 0.0)); EXPECT_EQ(uc.bVector(), Vector3(0.0, 5.0, 0.0)); EXPECT_EQ(uc.cVector(), Vector3(0.0, 0.0, 6.0)); } { // [k, j, i] auto mol = createCrystal({ 0.0, 0.0, 4.0 }, { 0.0, 5.0, 0.0 }, { 6.0, 0.0, 0.0 }); EXPECT_TRUE(CrystalTools::rotateToStandardOrientation( mol, CrystalTools::RightHanded)); const auto& uc = *mol.unitCell(); EXPECT_EQ(uc.aVector(), Vector3(4.0, 0.0, 0.0)); EXPECT_EQ(uc.bVector(), Vector3(0.0, 5.0, 0.0)); EXPECT_EQ(uc.cVector(), Vector3(0.0, 0.0, 6.0)); } { // silicon primitive cell auto mol = createCrystal({ 1.0, 1.0, 0.0 }, { 1.0, 0.0, 1.0 }, { 0.0, 1.0, 1.0 }); EXPECT_TRUE(CrystalTools::rotateToStandardOrientation( mol, CrystalTools::RightHanded)); const auto& uc = *mol.unitCell(); const auto& a = uc.aVector(); EXPECT_EQ(a, Vector3(std::sqrt(2.0), 0.0, 0.0)); const auto& b = uc.bVector(); EXPECT_TRUE(b.isApprox(Vector3(std::sqrt(0.5), std::sqrt(1.5), 0.0))); const auto& c = uc.cVector(); EXPECT_TRUE(c.isApprox( Vector3(std::sqrt(0.5), std::sqrt(1.0 / 6.0), std::sqrt(4.0 / 3.0)))); } } TEST(UnitCellTest, setVolume) { Molecule mol = createCrystal( static_cast(3.0), static_cast(3.0), static_cast(3.0), static_cast(90.0), static_cast(120.0), static_cast(77.0)); EXPECT_TRUE(CrystalTools::setVolume(mol, static_cast(1.0))); EXPECT_FLOAT_EQ(1.f, static_cast(mol.unitCell()->volume())); EXPECT_FLOAT_EQ(90.f, static_cast(mol.unitCell()->alpha() * RAD_TO_DEG)); EXPECT_FLOAT_EQ(120.f, static_cast(mol.unitCell()->beta() * RAD_TO_DEG)); EXPECT_FLOAT_EQ(77.f, static_cast(mol.unitCell()->gamma() * RAD_TO_DEG)); } TEST(UnitCellTest, fractionalCoordinates) { Molecule mol = createCrystal( static_cast(3.0), static_cast(4.0), static_cast(5.0), static_cast(90.0), static_cast(120.0), static_cast(77.0)); mol.addAtom(1).setPosition3d( Vector3(static_cast(0), static_cast(0), static_cast(0))); mol.addAtom(1).setPosition3d(Vector3(static_cast(0.7), static_cast(2.23733), static_cast(2.14574))); mol.addAtom(1).setPosition3d(Vector3(static_cast(2.07490), static_cast(2.09303), static_cast(1.07287))); mol.addAtom(1).setPosition3d( Vector3(static_cast(3), static_cast(0), static_cast(0))); mol.addAtom(1).setPosition3d(Vector3(static_cast(0.89980), static_cast(3.89748), static_cast(0))); mol.addAtom(1).setPosition3d(Vector3(static_cast(-2.5), static_cast(0.57717), static_cast(4.29149))); Array ccoords_ref = mol.atomPositions3d(); Array fcoords; EXPECT_TRUE(CrystalTools::fractionalCoordinates(mol, fcoords)); EXPECT_EQ(mol.atomCount(), fcoords.size()); EXPECT_TRUE(std::fabs(fcoords[0][0] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[0][1] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[0][2] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[1][0] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[1][1] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[1][2] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[2][0] - static_cast(0.75)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[2][1] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[2][2] - static_cast(0.25)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[3][0] - static_cast(1)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[3][1] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[3][2] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[4][0] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[4][1] - static_cast(1)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[4][2] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[5][0] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[5][1] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[5][2] - static_cast(1)) < 1e-4); mol.atomPositions3d().clear(); EXPECT_TRUE(CrystalTools::setFractionalCoordinates(mol, fcoords)); Array ccoords = mol.atomPositions3d(); for (int i = 0; i < 6; ++i) { for (int j = 0; j < 3; ++j) { EXPECT_FLOAT_EQ(static_cast(ccoords_ref[i][j]), static_cast(ccoords[i][j])) << " (i=" << i << "j=" << j << ")"; } } } TEST(UnitCellTest, wrapAtomsToUnitCell) { Molecule mol = createCrystal( static_cast(3.0), static_cast(4.0), static_cast(5.0), static_cast(90.0), static_cast(120.0), static_cast(77.0)); for (int i = 0; i < 10; ++i) mol.addAtom(1).setPosition3d(Vector3::Zero()); Array fcoords; for (int i = 0; i < 10; ++i) { fcoords.push_back(Vector3(static_cast(i + i / 10.), static_cast(i + 2 * i / 10.), static_cast(i + 3 * i / 10.))); } EXPECT_TRUE(CrystalTools::setFractionalCoordinates(mol, fcoords)); EXPECT_TRUE(CrystalTools::wrapAtomsToUnitCell(mol)); fcoords.clear(); EXPECT_TRUE(CrystalTools::fractionalCoordinates(mol, fcoords)); for (std::vector::const_iterator it = fcoords.begin(), itEnd = fcoords.end(); it != itEnd; ++it) { EXPECT_GT( it->x(), static_cast( -std::numeric_limits::epsilon())); // x >= 0, "mostly" zero EXPECT_LE(it->x(), static_cast(1.0)); EXPECT_GT( it->y(), static_cast( -std::numeric_limits::epsilon())); // y >= 0, "mostly" zero EXPECT_LE(it->y(), static_cast(1.0)); EXPECT_GT( it->z(), static_cast( -std::numeric_limits::epsilon())); // z >= 0, "mostly" zero EXPECT_LE(it->z(), static_cast(1.0)); } } // Helper function to compare vectors with tolerance bool vectorsEqual(const Vector3& v1, const Vector3& v2, Real tol = 1e-5) { return (v1 - v2).norm() < tol; } // Helper to create unit cells for different crystal systems struct CrystalSystemParams { Real a, b, c, alpha, beta, gamma; std::string name; }; // ============================================================================ // Test all 7 crystal systems (Bravais lattices) // ============================================================================ TEST(UnitCellTest, CubicSystem) { // Cubic: a=b=c, α=β=γ=90° Real a = static_cast(5.0); UnitCell cubic(a, a, a, M_PI_2, M_PI_2, M_PI_2); EXPECT_FLOAT_EQ(a, cubic.a()); EXPECT_FLOAT_EQ(a, cubic.b()); EXPECT_FLOAT_EQ(a, cubic.c()); EXPECT_FLOAT_EQ(M_PI_2, cubic.alpha()); EXPECT_FLOAT_EQ(M_PI_2, cubic.beta()); EXPECT_FLOAT_EQ(M_PI_2, cubic.gamma()); EXPECT_FLOAT_EQ(a * a * a, cubic.volume()); EXPECT_TRUE(cubic.isRegular()); } TEST(UnitCellTest, TetragonalSystem) { // Tetragonal: a=b≠c, α=β=γ=90° Real a = static_cast(4.0); Real c = static_cast(6.0); UnitCell tetragonal(a, a, c, M_PI_2, M_PI_2, M_PI_2); EXPECT_FLOAT_EQ(a, tetragonal.a()); EXPECT_FLOAT_EQ(a, tetragonal.b()); EXPECT_FLOAT_EQ(c, tetragonal.c()); EXPECT_FLOAT_EQ(a * a * c, tetragonal.volume()); EXPECT_TRUE(tetragonal.isRegular()); } TEST(UnitCellTest, OrthorhombicSystem) { // Orthorhombic: a≠b≠c, α=β=γ=90° Real a = static_cast(3.0); Real b = static_cast(4.0); Real c = static_cast(5.0); UnitCell orthorhombic(a, b, c, M_PI_2, M_PI_2, M_PI_2); EXPECT_FLOAT_EQ(a, orthorhombic.a()); EXPECT_FLOAT_EQ(b, orthorhombic.b()); EXPECT_FLOAT_EQ(c, orthorhombic.c()); EXPECT_FLOAT_EQ(a * b * c, orthorhombic.volume()); EXPECT_TRUE(orthorhombic.isRegular()); } TEST(UnitCellTest, HexagonalSystem) { // Hexagonal: a=b≠c, α=β=90°, γ=120° Real a = static_cast(4.0); Real c = static_cast(6.0); Real gamma = static_cast(120.0 * M_PI / 180.0); UnitCell hexagonal(a, a, c, M_PI_2, M_PI_2, gamma); EXPECT_FLOAT_EQ(a, hexagonal.a()); EXPECT_FLOAT_EQ(a, hexagonal.b()); EXPECT_FLOAT_EQ(c, hexagonal.c()); EXPECT_FLOAT_EQ(M_PI_2, hexagonal.alpha()); EXPECT_FLOAT_EQ(M_PI_2, hexagonal.beta()); EXPECT_FLOAT_EQ(gamma, hexagonal.gamma()); // Volume = a²c·sin(120°) = a²c·√3/2 Real expected_vol = a * a * c * std::sin(gamma); EXPECT_NEAR(expected_vol, hexagonal.volume(), 1e-4); EXPECT_TRUE(hexagonal.isRegular()); } TEST(UnitCellTest, RhombohedralSystem) { // Rhombohedral (Trigonal): a=b=c, α=β=γ≠90° Real a = static_cast(5.0); Real alpha = static_cast(75.0 * M_PI / 180.0); UnitCell rhombohedral(a, a, a, alpha, alpha, alpha); EXPECT_FLOAT_EQ(a, rhombohedral.a()); EXPECT_FLOAT_EQ(a, rhombohedral.b()); EXPECT_FLOAT_EQ(a, rhombohedral.c()); EXPECT_FLOAT_EQ(alpha, rhombohedral.alpha()); EXPECT_FLOAT_EQ(alpha, rhombohedral.beta()); EXPECT_FLOAT_EQ(alpha, rhombohedral.gamma()); EXPECT_TRUE(rhombohedral.isRegular()); } TEST(UnitCellTest, MonoclinicSystem) { // Monoclinic: a≠b≠c, α=γ=90°, β≠90° Real a = static_cast(5.0); Real b = static_cast(6.0); Real c = static_cast(7.0); Real beta = static_cast(110.0 * M_PI / 180.0); UnitCell monoclinic(a, b, c, M_PI_2, beta, M_PI_2); EXPECT_FLOAT_EQ(a, monoclinic.a()); EXPECT_FLOAT_EQ(b, monoclinic.b()); EXPECT_FLOAT_EQ(c, monoclinic.c()); EXPECT_FLOAT_EQ(M_PI_2, monoclinic.alpha()); EXPECT_FLOAT_EQ(beta, monoclinic.beta()); EXPECT_FLOAT_EQ(M_PI_2, monoclinic.gamma()); EXPECT_TRUE(monoclinic.isRegular()); } TEST(UnitCellTest, TriclinicSystem) { // Triclinic: a≠b≠c, α≠β≠γ≠90° Real a = static_cast(5.0); Real b = static_cast(6.0); Real c = static_cast(7.0); Real alpha = static_cast(75.0 * M_PI / 180.0); Real beta = static_cast(85.0 * M_PI / 180.0); Real gamma = static_cast(95.0 * M_PI / 180.0); UnitCell triclinic(a, b, c, alpha, beta, gamma); EXPECT_FLOAT_EQ(a, triclinic.a()); EXPECT_FLOAT_EQ(b, triclinic.b()); EXPECT_FLOAT_EQ(c, triclinic.c()); EXPECT_FLOAT_EQ(alpha, triclinic.alpha()); EXPECT_FLOAT_EQ(beta, triclinic.beta()); EXPECT_FLOAT_EQ(gamma, triclinic.gamma()); EXPECT_TRUE(triclinic.isRegular()); } // ============================================================================ // Test constructors and assignment // ============================================================================ TEST(UnitCellTest, VectorConstructor) { Vector3 a(3.0, 0.0, 0.0); Vector3 b(0.0, 4.0, 0.0); Vector3 c(0.0, 0.0, 5.0); UnitCell cell(a, b, c); EXPECT_TRUE(vectorsEqual(a, cell.aVector())); EXPECT_TRUE(vectorsEqual(b, cell.bVector())); EXPECT_TRUE(vectorsEqual(c, cell.cVector())); EXPECT_FLOAT_EQ(3.0, cell.a()); EXPECT_FLOAT_EQ(4.0, cell.b()); EXPECT_FLOAT_EQ(5.0, cell.c()); } TEST(UnitCellTest, MatrixConstructor) { Matrix3 m; m.col(0) = Vector3(3.0, 0.0, 0.0); m.col(1) = Vector3(0.0, 4.0, 0.0); m.col(2) = Vector3(0.0, 0.0, 5.0); UnitCell cell(m); EXPECT_TRUE(vectorsEqual(m.col(0), cell.aVector())); EXPECT_TRUE(vectorsEqual(m.col(1), cell.bVector())); EXPECT_TRUE(vectorsEqual(m.col(2), cell.cVector())); } TEST(UnitCellTest, CopyConstructorAndAssignment) { UnitCell cell1(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); UnitCell cell2(cell1); EXPECT_FLOAT_EQ(cell1.a(), cell2.a()); EXPECT_FLOAT_EQ(cell1.b(), cell2.b()); EXPECT_FLOAT_EQ(cell1.c(), cell2.c()); UnitCell cell3; cell3 = cell1; EXPECT_FLOAT_EQ(cell1.a(), cell3.a()); EXPECT_FLOAT_EQ(cell1.b(), cell3.b()); EXPECT_FLOAT_EQ(cell1.c(), cell3.c()); } // ============================================================================ // Test coordinate transformations // ============================================================================ TEST(UnitCellTest, FractionalCartesianConversion_Cubic) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 frac(0.5, 0.5, 0.5); Vector3 cart = cubic.toCartesian(frac); Vector3 frac_back = cubic.toFractional(cart); EXPECT_TRUE(vectorsEqual(frac, frac_back)); EXPECT_NEAR(2.5, cart[0], 1e-5); EXPECT_NEAR(2.5, cart[1], 1e-5); EXPECT_NEAR(2.5, cart[2], 1e-5); } TEST(UnitCellTest, FractionalCartesianConversion_Triclinic) { UnitCell triclinic(5.0, 6.0, 7.0, 75.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); Vector3 frac(0.25, 0.5, 0.75); Vector3 cart = triclinic.toCartesian(frac); Vector3 frac_back = triclinic.toFractional(cart); EXPECT_TRUE(vectorsEqual(frac, frac_back, 1e-4)); } TEST(UnitCellTest, FractionalCartesianConversion_WithOutputParam) { UnitCell cell(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 frac(0.2, 0.3, 0.4); Vector3 cart; cell.toCartesian(frac, cart); Vector3 frac_result; cell.toFractional(cart, frac_result); EXPECT_TRUE(vectorsEqual(frac, frac_result)); } // ============================================================================ // Test wrapping functions // ============================================================================ TEST(UnitCellTest, WrapFractional_PositiveCoordinates) { UnitCell cell(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 frac(1.3, 2.7, 0.5); Vector3 wrapped = cell.wrapFractional(frac); EXPECT_NEAR(0.3, wrapped[0], 1e-5); EXPECT_NEAR(0.7, wrapped[1], 1e-5); EXPECT_NEAR(0.5, wrapped[2], 1e-5); } TEST(UnitCellTest, WrapFractional_NegativeCoordinates) { UnitCell cell(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 frac(-0.3, -1.7, -0.1); Vector3 wrapped = cell.wrapFractional(frac); EXPECT_NEAR(0.7, wrapped[0], 1e-5); EXPECT_NEAR(0.3, wrapped[1], 1e-5); EXPECT_NEAR(0.9, wrapped[2], 1e-5); } TEST(UnitCellTest, WrapFractional_ExactlyOne) { UnitCell cell(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 frac(1.0, 1.0, 1.0); Vector3 wrapped = cell.wrapFractional(frac); EXPECT_NEAR(0.0, wrapped[0], 1e-5); EXPECT_NEAR(0.0, wrapped[1], 1e-5); EXPECT_NEAR(0.0, wrapped[2], 1e-5); } TEST(UnitCellTest, WrapFractional_WithOutputParam) { UnitCell cell(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 frac(2.5, -0.3, 1.0); Vector3 wrapped; cell.wrapFractional(frac, wrapped); EXPECT_NEAR(0.5, wrapped[0], 1e-5); EXPECT_NEAR(0.7, wrapped[1], 1e-5); EXPECT_NEAR(0.0, wrapped[2], 1e-5); } TEST(UnitCellTest, WrapCartesian) { UnitCell cell(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 cart(5.5, 6.0, -1.0); Vector3 wrapped = cell.wrapCartesian(cart); // Should wrap to (2.5, 2.0, 4.0) EXPECT_NEAR(2.5, wrapped[0], 1e-4); EXPECT_NEAR(2.0, wrapped[1], 1e-4); EXPECT_NEAR(4.0, wrapped[2], 1e-4); } TEST(UnitCellTest, WrapCartesian_WithOutputParam) { UnitCell cell(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 cart(5.5, 6.0, -1.0); Vector3 wrapped; cell.wrapCartesian(cart, wrapped); EXPECT_NEAR(2.5, wrapped[0], 1e-4); EXPECT_NEAR(2.0, wrapped[1], 1e-4); EXPECT_NEAR(4.0, wrapped[2], 1e-4); } // ============================================================================ // Test minimum image convention // ============================================================================ TEST(UnitCellTest, MinimumImageFractional) { Vector3 v1(0.8, 0.6, -0.3); Vector3 min_img = UnitCell::minimumImageFractional(v1); EXPECT_NEAR(-0.2, min_img[0], 1e-5); EXPECT_NEAR(-0.4, min_img[1], 1e-5); EXPECT_NEAR(-0.3, min_img[2], 1e-5); } TEST(UnitCellTest, MinimumImageFractional_LargeValues) { Vector3 v1(3.7, -2.3, 5.1); Vector3 min_img = UnitCell::minimumImageFractional(v1); EXPECT_NEAR(-0.3, min_img[0], 1e-5); EXPECT_NEAR(-0.3, min_img[1], 1e-5); EXPECT_NEAR(0.1, min_img[2], 1e-5); } TEST(UnitCellTest, MinimumImage_Cubic) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 v(4.5, 3.0, -1.0); Vector3 min_img = cubic.minimumImage(v); EXPECT_NEAR(-0.5, min_img[0], 1e-4); EXPECT_NEAR(-2.0, min_img[1], 1e-4); EXPECT_NEAR(-1.0, min_img[2], 1e-4); } TEST(UnitCellTest, MinimumImage_Triclinic) { UnitCell triclinic(5.0, 6.0, 7.0, 80.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); Vector3 v(4.0, 5.0, 6.0); Vector3 min_img = triclinic.minimumImage(v); // Result should have fractional coords in [-0.5, 0.5] Vector3 frac = triclinic.toFractional(min_img); EXPECT_GE(frac[0], -0.5); EXPECT_LE(frac[0], 0.5); EXPECT_GE(frac[1], -0.5); EXPECT_LE(frac[1], 0.5); EXPECT_GE(frac[2], -0.5); EXPECT_LE(frac[2], 0.5); } // ============================================================================ // Test distance calculations // ============================================================================ TEST(UnitCellTest, Distance_Cubic_SamePoint) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 v1(1.0, 2.0, 3.0); Real dist = cubic.distance(v1, v1); EXPECT_NEAR(0.0, dist, 1e-5); } TEST(UnitCellTest, Distance_Cubic_AdjacentAtoms) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); Vector3 v1(1.0, 0.0, 0.0); Vector3 v2(11.0, 0.0, 0.0); // Same as (1.0, 0.0, 0.0) after wrapping Real dist = cubic.distance(v1, v2); EXPECT_NEAR(0.0, dist, 1e-4); } TEST(UnitCellTest, Distance_Cubic_AcrossCell) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); Vector3 v1(1.0, 0.0, 0.0); Vector3 v2(9.0, 0.0, 0.0); Real dist = cubic.distance(v1, v2); // Minimum image is 2.0 (wraps to -1.0 from v1) EXPECT_NEAR(2.0, dist, 1e-4); } TEST(UnitCellTest, DistanceSquared_Cubic) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); Vector3 v1(0.0, 0.0, 0.0); Vector3 v2(3.0, 4.0, 0.0); Real dist_sq = cubic.distanceSquared(v1, v2); Real dist = cubic.distance(v1, v2); EXPECT_NEAR(dist * dist, dist_sq, 1e-4); EXPECT_NEAR(25.0, dist_sq, 1e-4); // 3²+4² = 25 } TEST(UnitCellTest, Distance_Triclinic_PeriodicBoundary) { UnitCell triclinic(5.0, 6.0, 7.0, 80.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); Vector3 v1(0.0, 0.0, 0.0); Vector3 v2(4.9, 0.0, 0.0); Real dist = triclinic.distance(v1, v2); // Should find minimum image (close to cell edge) EXPECT_LT(dist, 1.0); // Wraps to near side } TEST(UnitCellTest, Distance_Hexagonal) { // Test in hexagonal system Real a = 4.0; Real c = 6.0; UnitCell hexagonal(a, a, c, M_PI_2, M_PI_2, 120.0 * M_PI / 180.0); Vector3 v1(0.0, 0.0, 0.0); Vector3 v2(a, 0.0, 0.0); Real dist = hexagonal.distance(v1, v2); // FIXME: // EXPECT_NEAR(a, dist, 1e-4); } // ============================================================================ // Test image offset // ============================================================================ TEST(UnitCellTest, ImageOffset_Cubic) { UnitCell cubic(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 offset = cubic.imageOffset(1, 0, 0); EXPECT_NEAR(3.0, offset[0], 1e-5); EXPECT_NEAR(0.0, offset[1], 1e-5); EXPECT_NEAR(0.0, offset[2], 1e-5); offset = cubic.imageOffset(0, 2, 0); EXPECT_NEAR(0.0, offset[0], 1e-5); EXPECT_NEAR(8.0, offset[1], 1e-5); EXPECT_NEAR(0.0, offset[2], 1e-5); offset = cubic.imageOffset(1, 1, 1); EXPECT_NEAR(3.0, offset[0], 1e-5); EXPECT_NEAR(4.0, offset[1], 1e-5); EXPECT_NEAR(5.0, offset[2], 1e-5); } TEST(UnitCellTest, ImageOffset_NegativeIndices) { UnitCell cubic(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 offset = cubic.imageOffset(-1, 0, 0); EXPECT_NEAR(-3.0, offset[0], 1e-5); EXPECT_NEAR(0.0, offset[1], 1e-5); EXPECT_NEAR(0.0, offset[2], 1e-5); } TEST(UnitCellTest, ImageOffset_Triclinic) { UnitCell triclinic(5.0, 6.0, 7.0, 80.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); Vector3 offset = triclinic.imageOffset(1, 1, 1); // Offset should be sum of lattice vectors Vector3 expected = triclinic.aVector() + triclinic.bVector() + triclinic.cVector(); EXPECT_TRUE(vectorsEqual(offset, expected, 1e-4)); } // ============================================================================ // Test volume calculations // ============================================================================ TEST(UnitCellTest, Volume_Cubic) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); EXPECT_NEAR(125.0, cubic.volume(), 1e-4); } TEST(UnitCellTest, Volume_Orthorhombic) { UnitCell ortho(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); EXPECT_NEAR(60.0, ortho.volume(), 1e-4); } TEST(UnitCellTest, Volume_Hexagonal) { Real a = 4.0; Real c = 6.0; UnitCell hexagonal(a, a, c, M_PI_2, M_PI_2, 120.0 * M_PI / 180.0); // V = a²c·sin(120°) = a²c·√3/2 Real expected = a * a * c * std::sqrt(3.0) / 2.0; EXPECT_NEAR(expected, hexagonal.volume(), 1e-3); } TEST(UnitCellTest, Volume_Triclinic) { // Volume using general formula UnitCell triclinic(5.0, 6.0, 7.0, 80.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); Real volume = triclinic.volume(); EXPECT_GT(volume, 0.0); EXPECT_LT(volume, 5.0 * 6.0 * 7.0); // Less than box volume } // ============================================================================ // Test matrix getters/setters // ============================================================================ TEST(UnitCellTest, SetGetCellMatrix) { Matrix3 m; m.col(0) = Vector3(3.0, 0.0, 0.0); m.col(1) = Vector3(0.0, 4.0, 0.0); m.col(2) = Vector3(0.0, 0.0, 5.0); UnitCell cell; cell.setCellMatrix(m); const Matrix3& retrieved = cell.cellMatrix(); EXPECT_TRUE(vectorsEqual(m.col(0), retrieved.col(0))); EXPECT_TRUE(vectorsEqual(m.col(1), retrieved.col(1))); EXPECT_TRUE(vectorsEqual(m.col(2), retrieved.col(2))); } TEST(UnitCellTest, SetGetFractionalMatrix) { UnitCell cell(3.0, 4.0, 5.0, M_PI_2, M_PI_2, M_PI_2); const Matrix3& frac_mat = cell.fractionalMatrix(); const Matrix3& cell_mat = cell.cellMatrix(); // Fractional matrix should be inverse of cell matrix Matrix3 identity = frac_mat * cell_mat; EXPECT_NEAR(1.0, identity(0, 0), 1e-4); EXPECT_NEAR(0.0, identity(0, 1), 1e-4); EXPECT_NEAR(0.0, identity(0, 2), 1e-4); EXPECT_NEAR(1.0, identity(1, 1), 1e-4); EXPECT_NEAR(1.0, identity(2, 2), 1e-4); } TEST(UnitCellTest, SetVectors) { UnitCell cell; cell.setAVector(Vector3(3.0, 0.0, 0.0)); cell.setBVector(Vector3(0.0, 4.0, 0.0)); cell.setCVector(Vector3(0.0, 0.0, 5.0)); EXPECT_FLOAT_EQ(3.0, cell.a()); EXPECT_FLOAT_EQ(4.0, cell.b()); EXPECT_FLOAT_EQ(5.0, cell.c()); } // ============================================================================ // Test edge cases and special configurations // ============================================================================ TEST(UnitCellTest, VerySmallCell) { UnitCell tiny(0.1, 0.1, 0.1, M_PI_2, M_PI_2, M_PI_2); EXPECT_FLOAT_EQ(0.1, tiny.a()); EXPECT_NEAR(0.001, tiny.volume(), 1e-6); EXPECT_TRUE(tiny.isRegular()); Vector3 v(0.05, 0.05, 0.05); Vector3 frac = tiny.toFractional(v); EXPECT_NEAR(0.5, frac[0], 1e-4); EXPECT_NEAR(0.5, frac[1], 1e-4); EXPECT_NEAR(0.5, frac[2], 1e-4); } TEST(UnitCellTest, VeryLargeCell) { UnitCell large(100.0, 100.0, 100.0, M_PI_2, M_PI_2, M_PI_2); EXPECT_FLOAT_EQ(100.0, large.a()); EXPECT_NEAR(1000000.0, large.volume(), 1.0); EXPECT_TRUE(large.isRegular()); } TEST(UnitCellTest, NearlyDegenerate_SmallAngle) { // Test with very small angle (but not zero) Real small_angle = 1.0 * M_PI / 180.0; // 1 degree UnitCell cell(5.0, 5.0, 5.0, small_angle, M_PI_2, M_PI_2); EXPECT_TRUE(cell.isRegular()); EXPECT_GT(cell.volume(), 0.0); } TEST(UnitCellTest, NearlyDegenerate_LargeAngle) { // Test with angle close to 180 degrees Real large_angle = 179.0 * M_PI / 180.0; UnitCell cell(5.0, 5.0, 5.0, large_angle, M_PI_2, M_PI_2); EXPECT_TRUE(cell.isRegular()); EXPECT_GT(cell.volume(), 0.0); } // ============================================================================ // Test distance calculations across different crystal systems // ============================================================================ TEST(UnitCellTest, Distance_AllCrystalSystems) { std::vector systems = { { 5.0, 5.0, 5.0, 90.0, 90.0, 90.0, "Cubic" }, { 4.0, 4.0, 6.0, 90.0, 90.0, 90.0, "Tetragonal" }, { 3.0, 4.0, 5.0, 90.0, 90.0, 90.0, "Orthorhombic" }, { 4.0, 4.0, 6.0, 90.0, 90.0, 120.0, "Hexagonal" }, { 5.0, 5.0, 5.0, 75.0, 75.0, 75.0, "Rhombohedral" }, { 5.0, 6.0, 7.0, 90.0, 110.0, 90.0, "Monoclinic" }, { 5.0, 6.0, 7.0, 75.0, 85.0, 95.0, "Triclinic" } }; for (const auto& sys : systems) { UnitCell cell(sys.a, sys.b, sys.c, sys.alpha * M_PI / 180.0, sys.beta * M_PI / 180.0, sys.gamma * M_PI / 180.0); // Test that distance from a point to itself is zero Vector3 v1(1.0, 2.0, 3.0); EXPECT_NEAR(0.0, cell.distance(v1, v1), 1e-5) << "Failed for " << sys.name; // Test symmetry: d(v1,v2) = d(v2,v1) Vector3 v2(2.0, 3.0, 4.0); Real d12 = cell.distance(v1, v2); Real d21 = cell.distance(v2, v1); EXPECT_NEAR(d12, d21, 1e-5) << "Failed for " << sys.name; // Test that distanceSquared is consistent with distance Real dist = cell.distance(v1, v2); Real dist_sq = cell.distanceSquared(v1, v2); EXPECT_NEAR(dist * dist, dist_sq, 1e-4) << "Failed for " << sys.name; } } // ============================================================================ // Test wrapping across all crystal systems // ============================================================================ TEST(UnitCellTest, Wrapping_AllCrystalSystems) { std::vector systems = { { 5.0, 5.0, 5.0, 90.0, 90.0, 90.0, "Cubic" }, { 4.0, 4.0, 6.0, 90.0, 90.0, 90.0, "Tetragonal" }, { 3.0, 4.0, 5.0, 90.0, 90.0, 90.0, "Orthorhombic" }, { 4.0, 4.0, 6.0, 90.0, 90.0, 120.0, "Hexagonal" }, { 5.0, 5.0, 5.0, 75.0, 75.0, 75.0, "Rhombohedral" }, { 5.0, 6.0, 7.0, 90.0, 110.0, 90.0, "Monoclinic" }, { 5.0, 6.0, 7.0, 75.0, 85.0, 95.0, "Triclinic" } }; for (const auto& sys : systems) { UnitCell cell(sys.a, sys.b, sys.c, sys.alpha * M_PI / 180.0, sys.beta * M_PI / 180.0, sys.gamma * M_PI / 180.0); // Test various fractional coordinates std::vector test_coords = { Vector3(1.5, 2.3, -0.7), Vector3(-1.0, -2.0, -3.0), Vector3(0.5, 0.5, 0.5), Vector3(10.0, 10.0, 10.0) }; for (const auto& frac : test_coords) { Vector3 wrapped = cell.wrapFractional(frac); // Check that wrapped coordinates are in [0, 1) EXPECT_GE(wrapped[0], 0.0) << "Failed for " << sys.name; EXPECT_LT(wrapped[0], 1.0) << "Failed for " << sys.name; EXPECT_GE(wrapped[1], 0.0) << "Failed for " << sys.name; EXPECT_LT(wrapped[1], 1.0) << "Failed for " << sys.name; EXPECT_GE(wrapped[2], 0.0) << "Failed for " << sys.name; EXPECT_LT(wrapped[2], 1.0) << "Failed for " << sys.name; // Check that wrapping is consistent Vector3 cart = cell.toCartesian(frac); Vector3 wrapped_cart = cell.wrapCartesian(cart); Vector3 wrapped_frac = cell.toFractional(wrapped_cart); EXPECT_TRUE(vectorsEqual(wrapped, wrapped_frac, 1e-4)) << "Failed for " << sys.name; } } } // ============================================================================ // Test minimum image convention thoroughly // ============================================================================ TEST(UnitCellTest, MinimumImage_Consistency) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); // Test that minimum image of opposite cell corners gives correct result Vector3 v1(0.0, 0.0, 0.0); Vector3 v2(9.5, 9.5, 9.5); Vector3 diff = cubic.minimumImage(v2 - v1); EXPECT_NEAR(-0.5, diff[0], 1e-4); EXPECT_NEAR(-0.5, diff[1], 1e-4); EXPECT_NEAR(-0.5, diff[2], 1e-4); // Should wrap to (-0.5, -0.5, -0.5) in fractional Vector3 frac = cubic.toFractional(diff); EXPECT_NEAR(-0.05, frac[0], 1e-4); EXPECT_NEAR(-0.05, frac[1], 1e-4); EXPECT_NEAR(-0.05, frac[2], 1e-4); } TEST(UnitCellTest, MinimumImage_AllQuadrants) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); // Test vectors in all 8 quadrants std::vector test_vectors = { Vector3(3.0, 3.0, 3.0), Vector3(-3.0, 3.0, 3.0), Vector3(3.0, -3.0, 3.0), Vector3(3.0, 3.0, -3.0), Vector3(-3.0, -3.0, 3.0), Vector3(-3.0, 3.0, -3.0), Vector3(3.0, -3.0, -3.0), Vector3(-3.0, -3.0, -3.0) }; for (const auto& v : test_vectors) { Vector3 min_img = cubic.minimumImage(v); Vector3 frac = cubic.toFractional(min_img); // All components should be in [-0.5, 0.5] EXPECT_GE(frac[0], -0.5); EXPECT_LE(frac[0], 0.5); EXPECT_GE(frac[1], -0.5); EXPECT_LE(frac[1], 0.5); EXPECT_GE(frac[2], -0.5); EXPECT_LE(frac[2], 0.5); } } // ============================================================================ // Test special cases for periodic boundary conditions // ============================================================================ TEST(UnitCellTest, PeriodicBoundary_NearestNeighbor_Cubic) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); // Atom at origin and near opposite corner Vector3 atom1(0.5, 0.5, 0.5); Vector3 atom2(9.8, 0.5, 0.5); Real dist = cubic.distance(atom1, atom2); // Should find the shorter distance wrapping around EXPECT_NEAR(0.7, dist, 1e-4); // 10 - 9.8 + 0.5 = 0.7 } TEST(UnitCellTest, PeriodicBoundary_NearestNeighbor_Hexagonal) { Real a = 10.0; Real c = 10.0; UnitCell hexagonal(a, a, c, M_PI_2, M_PI_2, 120.0 * M_PI / 180.0); // Test atom near cell boundary Vector3 atom1(0.1, 0.1, 0.0); Vector3 atom2(9.9, 0.1, 0.0); Real dist = hexagonal.distance(atom1, atom2); // Should find minimum image distance EXPECT_LT(dist, 5.0); // Much less than half cell } TEST(UnitCellTest, PeriodicBoundary_DiagonalWrapping) { UnitCell cubic(10.0, 10.0, 10.0, M_PI_2, M_PI_2, M_PI_2); // Atoms at opposite corners Vector3 atom1(0.5, 0.5, 0.5); Vector3 atom2(9.5, 9.5, 9.5); Real dist = cubic.distance(atom1, atom2); // Direct distance would be ~15.6, but minimum image is much shorter Real expected = std::sqrt(3.0); // Distance to (-0.5, -0.5, -0.5) EXPECT_NEAR(expected, dist, 1e-3); } // ============================================================================ // Test coordinate transformation edge cases // ============================================================================ TEST(UnitCellTest, CoordinateTransform_Origin) { UnitCell cell(5.0, 6.0, 7.0, 80.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); Vector3 origin(0.0, 0.0, 0.0); Vector3 frac = cell.toFractional(origin); Vector3 cart = cell.toCartesian(frac); EXPECT_TRUE(vectorsEqual(origin, cart, 1e-5)); } TEST(UnitCellTest, CoordinateTransform_CellCorners) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); std::vector corners = { Vector3(0.0, 0.0, 0.0), Vector3(1.0, 0.0, 0.0), Vector3(0.0, 1.0, 0.0), Vector3(0.0, 0.0, 1.0), Vector3(1.0, 1.0, 0.0), Vector3(1.0, 0.0, 1.0), Vector3(0.0, 1.0, 1.0), Vector3(1.0, 1.0, 1.0) }; for (const auto& frac_corner : corners) { Vector3 cart = cubic.toCartesian(frac_corner); Vector3 frac_back = cubic.toFractional(cart); EXPECT_TRUE(vectorsEqual(frac_corner, frac_back, 1e-5)); } } TEST(UnitCellTest, CoordinateTransform_Roundtrip_ManyPoints) { UnitCell triclinic(5.0, 6.0, 7.0, 75.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); // Test many random-ish points for (int i = 0; i < 20; ++i) { Real x = static_cast(i) * 0.137; Real y = static_cast(i) * 0.241; Real z = static_cast(i) * 0.319; Vector3 cart(x, y, z); Vector3 frac = triclinic.toFractional(cart); Vector3 cart_back = triclinic.toCartesian(frac); EXPECT_TRUE(vectorsEqual(cart, cart_back, 1e-4)); } } // ============================================================================ // Test volume calculations for all crystal systems // ============================================================================ TEST(UnitCellTest, Volume_AllSystems_Positive) { std::vector systems = { { 5.0, 5.0, 5.0, 90.0, 90.0, 90.0, "Cubic" }, { 4.0, 4.0, 6.0, 90.0, 90.0, 90.0, "Tetragonal" }, { 3.0, 4.0, 5.0, 90.0, 90.0, 90.0, "Orthorhombic" }, { 4.0, 4.0, 6.0, 90.0, 90.0, 120.0, "Hexagonal" }, { 5.0, 5.0, 5.0, 75.0, 75.0, 75.0, "Rhombohedral" }, { 5.0, 6.0, 7.0, 90.0, 110.0, 90.0, "Monoclinic" }, { 5.0, 6.0, 7.0, 75.0, 85.0, 95.0, "Triclinic" } }; for (const auto& sys : systems) { UnitCell cell(sys.a, sys.b, sys.c, sys.alpha * M_PI / 180.0, sys.beta * M_PI / 180.0, sys.gamma * M_PI / 180.0); Real volume = cell.volume(); EXPECT_GT(volume, 0.0) << "Failed for " << sys.name; // Volume should be less than or equal to box volume a*b*c Real box_volume = sys.a * sys.b * sys.c; EXPECT_LE(volume, box_volume * 1.001) << "Failed for " << sys.name; } } // ============================================================================ // Test matrix operations // ============================================================================ TEST(UnitCellTest, CellMatrix_Orthogonality_Cubic) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); Vector3 a = cubic.aVector(); Vector3 b = cubic.bVector(); Vector3 c = cubic.cVector(); // For cubic system, vectors should be orthogonal EXPECT_NEAR(0.0, a.dot(b), 1e-5); EXPECT_NEAR(0.0, b.dot(c), 1e-5); EXPECT_NEAR(0.0, c.dot(a), 1e-5); } TEST(UnitCellTest, CellMatrix_FractionalMatrix_Inverse) { UnitCell cell(5.0, 6.0, 7.0, 80.0 * M_PI / 180.0, 85.0 * M_PI / 180.0, 95.0 * M_PI / 180.0); const Matrix3& cell_mat = cell.cellMatrix(); const Matrix3& frac_mat = cell.fractionalMatrix(); Matrix3 product = cell_mat * frac_mat; // Should be identity matrix for (int i = 0; i < 3; ++i) { for (int j = 0; j < 3; ++j) { if (i == j) { EXPECT_NEAR(1.0, product(i, j), 1e-4); } else { EXPECT_NEAR(0.0, product(i, j), 1e-4); } } } } // ============================================================================ // Test regularity checks // ============================================================================ TEST(UnitCellTest, IsRegular_DegenerateCases) { // Test various degenerate cases // Zero length vector EXPECT_FALSE(UnitCell(0.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2).isRegular()); EXPECT_FALSE(UnitCell(5.0, 0.0, 5.0, M_PI_2, M_PI_2, M_PI_2).isRegular()); EXPECT_FALSE(UnitCell(5.0, 5.0, 0.0, M_PI_2, M_PI_2, M_PI_2).isRegular()); // Zero angle (vectors collapse) EXPECT_FALSE(UnitCell(5.0, 5.0, 5.0, 0.0, M_PI_2, M_PI_2).isRegular()); // 180 degree angle EXPECT_FALSE(UnitCell(5.0, 5.0, 5.0, M_PI, M_PI_2, M_PI_2).isRegular()); // 360 degree angle EXPECT_FALSE(UnitCell(5.0, 5.0, 5.0, 2.0 * M_PI, M_PI_2, M_PI_2).isRegular()); } TEST(UnitCellTest, IsRegular_ColinearVectors) { Vector3 v1(1.0, 0.0, 0.0); Vector3 v2(2.0, 0.0, 0.0); // Colinear with v1 Vector3 v3(0.0, 0.0, 1.0); UnitCell cell(v1, v2, v3); EXPECT_FALSE(cell.isRegular()); } TEST(UnitCellTest, IsRegular_CoplanarVectors) { Vector3 v1(1.0, 0.0, 0.0); Vector3 v2(0.0, 1.0, 0.0); Vector3 v3(1.0, 1.0, 0.0); // Coplanar with v1 and v2 UnitCell cell(v1, v2, v3); EXPECT_FALSE(cell.isRegular()); } // ============================================================================ // Test angle calculations // ============================================================================ TEST(UnitCellTest, Angles_Cubic) { UnitCell cubic(5.0, 5.0, 5.0, M_PI_2, M_PI_2, M_PI_2); EXPECT_NEAR(M_PI_2, cubic.alpha(), 1e-5); EXPECT_NEAR(M_PI_2, cubic.beta(), 1e-5); EXPECT_NEAR(M_PI_2, cubic.gamma(), 1e-5); } TEST(UnitCellTest, Angles_ConsistencyWithVectors) { Real a = 5.0, b = 6.0, c = 7.0; Real alpha = 80.0 * M_PI / 180.0; Real beta = 85.0 * M_PI / 180.0; Real gamma = 95.0 * M_PI / 180.0; UnitCell cell(a, b, c, alpha, beta, gamma); // Verify angles match the input EXPECT_NEAR(alpha, cell.alpha(), 1e-4); EXPECT_NEAR(beta, cell.beta(), 1e-4); EXPECT_NEAR(gamma, cell.gamma(), 1e-4); // Verify vector lengths match EXPECT_NEAR(a, cell.a(), 1e-4); EXPECT_NEAR(b, cell.b(), 1e-4); EXPECT_NEAR(c, cell.c(), 1e-4); } OpenChemistry-avogadrolibs-ceb949f/tests/core/utilitiestest.cpp000066400000000000000000000043321516317240700252050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::contains; using Avogadro::Core::lexicalCast; using Avogadro::Core::split; using Avogadro::Core::startsWith; using Avogadro::Core::trimmed; using std::string; TEST(UtilitiesTest, split) { string test(" trim white space "); EXPECT_EQ(split(test, ' ').size(), 3); } TEST(UtilitiesTest, splitEmpty) { string test(" trim white space "); EXPECT_EQ(split(test, ' ', false).size(), 7); } TEST(UtilitiesTest, trimmed) { string test(" trim white space \n\t\r"); EXPECT_EQ(trimmed(test), "trim white space"); EXPECT_EQ(trimmed("test"), "test"); EXPECT_EQ(trimmed("H"), "H"); EXPECT_EQ(trimmed(" H"), "H"); EXPECT_EQ(trimmed("H "), "H"); EXPECT_EQ(trimmed(" H "), "H"); } TEST(UtilitiesTest, lexicalCast) { EXPECT_EQ(lexicalCast("5"), 5); EXPECT_EQ(lexicalCast("5.3"), 5.3); EXPECT_EQ(lexicalCast("5.3E-10"), 5.3e-10); } TEST(UtilitiesTest, lexicalCastCheck) { // Something simple that should pass. bool ok(false); lexicalCast("5", ok); EXPECT_EQ(ok, true); // Pass something in that should fail. lexicalCast("five", ok); EXPECT_EQ(ok, false); } TEST(UtilitiesTest, lexicalCastVector) { { std::vector strings{ "8.314", "6.02e23" }; auto values = lexicalCast(strings.begin(), strings.end()); ASSERT_TRUE(values.has_value()); EXPECT_EQ(values->size(), 2); } { std::vector strings{ "96485", "XYZ", "137" }; auto values = lexicalCast(strings.begin(), strings.end()); EXPECT_FALSE(values.has_value()); } } TEST(UtilitiesTest, contains) { EXPECT_TRUE(contains("hasFoo", "has")); EXPECT_TRUE(contains("hasFoo", "Foo")); EXPECT_FALSE(contains("hasFoo", "bar")); } TEST(UtilitiesTest, startsWith) { EXPECT_TRUE(startsWith("hasFoo", "has")); EXPECT_FALSE(startsWith("hasFoo", "Foo")); EXPECT_FALSE(startsWith("hasFoo", "bar")); } OpenChemistry-avogadrolibs-ceb949f/tests/core/utils.h000066400000000000000000000032711516317240700231000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2013 Kitware, Inc. This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include #include #include #include #include void assertEqual(const Avogadro::Core::Molecule& m1, const Avogadro::Core::Molecule& m2) { EXPECT_EQ(m1.atomCount(), m2.atomCount()); EXPECT_TRUE(m1.atomicNumbers() == m2.atomicNumbers()); EXPECT_TRUE(m1.atomPositions2d() == m2.atomPositions2d()); EXPECT_TRUE(m1.atomPositions3d() == m2.atomPositions3d()); EXPECT_EQ(m1.data("test").toString(), m2.data("test").toString()); EXPECT_TRUE(m1.bondPairs() == m2.bondPairs()); EXPECT_TRUE(m1.bondOrders() == m2.bondOrders()); EXPECT_EQ(m1.meshCount(), m2.meshCount()); for (size_t i = 0; i < m1.meshCount(); i++) { const Avogadro::Core::Mesh* mesh1 = m1.mesh(i); const Avogadro::Core::Mesh* mesh2 = m2.mesh(i); EXPECT_TRUE(mesh1->vertices() == mesh2->vertices()); EXPECT_TRUE(mesh1->normals() == mesh2->vertices()); EXPECT_EQ(mesh1->name(), mesh2->name()); EXPECT_EQ(mesh1->isoValue(), mesh2->isoValue()); } } OpenChemistry-avogadrolibs-ceb949f/tests/core/variantmaptest.cpp000066400000000000000000000014071516317240700253340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::VariantMap; TEST(VariantMapTest, size) { VariantMap map; EXPECT_EQ(map.size(), static_cast(0)); } TEST(VariantMapTest, isEmpty) { VariantMap map; EXPECT_EQ(map.isEmpty(), true); map.setValue("value1", 1); EXPECT_EQ(map.isEmpty(), false); EXPECT_EQ(map.hasValue("value1"), true); EXPECT_EQ(map.hasValue("value2"), false); EXPECT_EQ(map.value("value1").toInt(), 1); } OpenChemistry-avogadrolibs-ceb949f/tests/core/varianttest.cpp000066400000000000000000000065271516317240700246460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::MatrixX; using Avogadro::Core::Variant; using namespace std::string_literals; TEST(VariantTest, isNull) { Variant variant; EXPECT_EQ(variant.isNull(), true); variant.setValue(7); EXPECT_EQ(variant.isNull(), false); } TEST(VariantTest, clear) { Variant variant(62); EXPECT_EQ(variant.isNull(), false); variant.clear(); EXPECT_EQ(variant.isNull(), true); variant.setValue('f'); EXPECT_EQ(variant.isNull(), false); variant.clear(); EXPECT_EQ(variant.isNull(), true); } TEST(VariantTest, toBool) { Variant variant(false); EXPECT_EQ(variant.toBool(), false); variant.setValue(true); EXPECT_EQ(variant.toBool(), true); variant.setValue(0); EXPECT_EQ(variant.toBool(), false); variant.setValue(1); EXPECT_EQ(variant.toBool(), true); variant.setValue(-5); EXPECT_EQ(variant.toBool(), true); } TEST(VariantTest, toChar) { Variant variant('c'); EXPECT_EQ(variant.toChar(), 'c'); variant.setValue("hello"); EXPECT_EQ(variant.toChar(), 'h'); } TEST(VariantTest, toShort) { Variant variant(short(4)); EXPECT_EQ(variant.toShort(), short(4)); } TEST(VariantTest, toInt) { Variant variant(12); EXPECT_EQ(variant.toInt(), int(12)); variant.setValue(-23); EXPECT_EQ(variant.toInt(), int(-23)); variant.setValue("42"); EXPECT_EQ(variant.toInt(), int(42)); variant.setValue(true); EXPECT_EQ(variant.toInt(), int(1)); variant.setValue(false); EXPECT_EQ(variant.toInt(), int(0)); } TEST(VariantTest, toLong) { Variant variant(192L); EXPECT_EQ(variant.toLong(), 192L); variant.setValue(7); EXPECT_EQ(variant.toLong(), 7L); variant.setValue("562"); EXPECT_EQ(variant.toLong(), 562L); } TEST(VariantTest, toFloat) { Variant variant(12.3f); EXPECT_EQ(variant.toFloat(), 12.3f); } TEST(VariantTest, toDouble) { Variant variant(3.14); EXPECT_EQ(variant.toDouble(), 3.14); } TEST(VariantTest, toPointer) { int value; void* pointer = &value; Variant variant(pointer); EXPECT_EQ(variant.toPointer(), pointer); } TEST(VariantTest, toString) { Variant variant("hello"); EXPECT_EQ(variant.toString(), "hello"s); variant.setValue(12); EXPECT_EQ(variant.toString(), "12"s); variant.setValue("hello2"s); EXPECT_EQ(variant.toString(), "hello2"s); } TEST(VariantTest, toMatrix) { MatrixX matrix(6, 7); for (int row = 0; row < matrix.rows(); ++row) { for (int col = 0; col < matrix.cols(); ++col) { matrix(row, col) = 2 * row + col / static_cast(matrix.cols()); } } Variant variant(matrix); const MatrixX& varMatrix = variant.toMatrixRef(); ASSERT_EQ(matrix.rows(), varMatrix.rows()) << "Number of rows don't match after variant-matrix conversion!"; ASSERT_EQ(matrix.cols(), varMatrix.cols()) << "Number of columns don't match after variant-matrix conversion!"; for (int row = 0; row < matrix.rows(); ++row) { for (int col = 0; col < matrix.cols(); ++col) { EXPECT_EQ(matrix(row, col), varMatrix(row, col)) << "Value mismatch at " << row << ", " << col << "!"; } } } OpenChemistry-avogadrolibs-ceb949f/tests/io/000077500000000000000000000000001516317240700212435ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/io/CMakeLists.txt000066400000000000000000000041621516317240700240060ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests Cjson Cml FileFormatManager Lammps Mdl Pdb Turbomole Vasp Xyz ) if(USE_HDF5) list(APPEND tests Hdf5) endif() include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/io") if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) else() message("No data root found, please set to run the tests.") return() endif() configure_file("${CMAKE_CURRENT_SOURCE_DIR}/iotests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/iotests.h" @ONLY) # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroIOTests ${testSrcs}) target_link_libraries(AvogadroIOTests Avogadro::IO ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "Io-${TestName}" COMMAND AvogadroIOTests "--gtest_filter=${TestName}Test.*") endforeach() if (DEFINED ENV{LIB_FUZZING_ENGINE}) option(ENABLE_FUZZ "Enable fuzz testing." ON) else() option(ENABLE_FUZZ "Enable fuzz testing." OFF) endif() if(ENABLE_FUZZ OR DEFINED ENV{LIB_FUZZING_ENGINE}) # todo - make this into a loop for multiple formats set(fuzz cjson cml sdf pdb xyz ) foreach(fuzzName ${fuzz}) add_executable(fuzz_${fuzzName} fuzztest.cpp) target_compile_definitions(fuzz_${fuzzName} PRIVATE -DFUZZ_INPUT_FORMAT="${fuzzName}") if(DEFINED ENV{LIB_FUZZING_ENGINE}) target_link_libraries(fuzz_${fuzzName} PRIVATE Avogadro::IO $ENV{LIB_FUZZING_ENGINE}) else() target_compile_options(fuzz_${fuzzName} PRIVATE -g -fsanitize=fuzzer) target_link_options(fuzz_${fuzzName} PRIVATE -fsanitize=fuzzer) target_link_libraries(fuzz_${fuzzName} PRIVATE Avogadro::IO) endif() endforeach() endif() OpenChemistry-avogadrolibs-ceb949f/tests/io/cjsontest.cpp000066400000000000000000000304751516317240700237740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include using Avogadro::MatrixX; using Avogadro::PI_F; using Avogadro::Real; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Core::Variant; using Avogadro::Io::CjsonFormat; using namespace std::string_literals; TEST(CjsonTest, readFile) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(CjsonTest, atomicNumberEdgeCase) { for (const auto* s : { R"({"chemicalJson": 0, "name": "negative Z", "atoms": {"coords": {"3d": [1.0, 2.0, 3.0]}, "elements": {"number": [-1]}}})", R"({"chemicalJson": 1, "name": "ununennium", "atoms": {"coords": {"3d": [1.0, 2.0, 3.0]}, "elements": {"number": [119]}}, "properties": {"totalCharge": 1, "totalSpinMultiplicity": 1}})", }) { CjsonFormat cjson; Molecule molecule; EXPECT_FALSE(cjson.readString(s, molecule)) << s; EXPECT_EQ(cjson.error(), "Error: atomic number is invalid.\n"); } for (const auto* s : { R"({"chemicalJson": 0, "name": "ghost", "atoms": {"coords": {"3d": [1.0, 2.0, 3.0]}, "elements": {"number": [0]}}})", R"({"chemicalJson": 1, "name": "oganesson", "atoms": {"coords": {"3d": [1.0, 2.0, 3.0]}, "elements": {"number": [118]}}, "properties": {"totalCharge": 0, "totalSpinMultiplicity": 1}})", }) { CjsonFormat cjson; Molecule molecule; EXPECT_TRUE(cjson.readString(s, molecule)) << s; } } TEST(CjsonTest, readNegativeBond) { CjsonFormat cjson; Molecule molecule; EXPECT_FALSE(cjson.readString(R"({"chemicalJson": 1, "atoms": { "coords": { "3d": [ 0.0, 0.0, 0.0, 1.0, 0.0, 0.0 ] }, "elements": { "number": [ 1, 9 ] } }, "bonds": { "connections": { "index": [ 0, 1 ] }, "order": [ -1 ] }})", molecule)); EXPECT_EQ(cjson.error(), "Error: bond order is invalid.\n"); } TEST(CjsonTest, readInvalidPeriodicFile) { const auto error_cell_params = "cell parameters do not give linear-independent lattice vectors\n"s; const auto error_cellVectors = "cellVectors are not linear independent\n"s; for (const auto& [file, err] : { std::make_pair("impossible.cjson"s, error_cell_params), std::make_pair("lin-dep-cellVectors.cjson"s, error_cellVectors), std::make_pair("lin-dep2.cjson"s, error_cell_params), std::make_pair("zero-a-cellVectors.cjson"s, error_cellVectors), std::make_pair("zero-a.cjson"s, error_cell_params), std::make_pair("zero-alpha.cjson"s, error_cell_params), std::make_pair("zero-b-cellVectors.cjson"s, error_cellVectors), std::make_pair("zero-b.cjson"s, error_cell_params), std::make_pair("zero-beta.cjson"s, error_cell_params), std::make_pair("zero-c-cellVectors.cjson"s, error_cellVectors), std::make_pair("zero-c.cjson"s, error_cell_params), std::make_pair("zero-gamma.cjson"s, error_cell_params), }) { CjsonFormat cjson; Molecule molecule; auto f = std::string(AVOGADRO_DATA) + "/data/cjson/singular/" + file; EXPECT_FALSE(cjson.readFile(f, molecule)) << f; EXPECT_EQ(cjson.error(), err) << f; } } TEST(CjsonTest, atoms) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_EQ(atom.position3d().x(), 0.751621); EXPECT_EQ(atom.position3d().y(), -0.022441); EXPECT_EQ(atom.position3d().z(), -0.020839); atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.184988); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); } TEST(CjsonTest, bonds) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(4)); EXPECT_EQ(bond.atom2().index(), static_cast(7)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CjsonTest, crystal) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/rutile.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "TiO2 rutile"); EXPECT_EQ(molecule.atomCount(), static_cast(6)); EXPECT_EQ(molecule.bondCount(), static_cast(0)); const UnitCell* unitCell = molecule.unitCell(); ASSERT_NE(unitCell, (UnitCell*)nullptr); EXPECT_TRUE(std::fabs((float)unitCell->a() - 2.95812f) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->b() - 4.59373f) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->c() - 4.59373f) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->alpha() - (.5f * PI_F)) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->beta() - (.5f * PI_F)) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->gamma() - (.5f * PI_F)) < 1e-5f); Atom atom = molecule.atom(5); EXPECT_EQ(atom.atomicNumber(), 8); EXPECT_TRUE(std::fabs((float)atom.position3d().x() - 1.479060f) < 1e-5f); EXPECT_TRUE(std::fabs((float)atom.position3d().y() - 3.699331f) < 1e-5f); EXPECT_TRUE(std::fabs((float)atom.position3d().z() - 0.894399f) < 1e-5f); std::string cjsonStr; cjson.writeString(cjsonStr, molecule); Molecule otherMolecule; cjson.readString(cjsonStr, otherMolecule); const UnitCell* otherUnitCell = otherMolecule.unitCell(); ASSERT_NE(otherUnitCell, (UnitCell*)nullptr); EXPECT_FLOAT_EQ((float)otherUnitCell->a(), (float)unitCell->a()); EXPECT_FLOAT_EQ((float)otherUnitCell->b(), (float)unitCell->b()); EXPECT_FLOAT_EQ((float)otherUnitCell->c(), (float)unitCell->c()); EXPECT_FLOAT_EQ((float)otherUnitCell->alpha(), (float)unitCell->alpha()); EXPECT_FLOAT_EQ((float)otherUnitCell->beta(), (float)unitCell->beta()); EXPECT_FLOAT_EQ((float)otherUnitCell->gamma(), (float)unitCell->gamma()); Atom otherAtom = otherMolecule.atom(5); EXPECT_EQ(otherAtom.atomicNumber(), atom.atomicNumber()); EXPECT_FLOAT_EQ((float)otherAtom.position3d().x(), (float)atom.position3d().x()); EXPECT_FLOAT_EQ((float)otherAtom.position3d().y(), (float)atom.position3d().y()); EXPECT_FLOAT_EQ((float)otherAtom.position3d().z(), (float)atom.position3d().z()); } TEST(CjsonTest, saveFile) { CjsonFormat cjson; Molecule savedMolecule, molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); success = cjson.writeFile("ethanetmp.cjson", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); // Now read the file back in and check a few key values are still present. success = cjson.readFile("ethanetmp.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Atom atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.184988); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CjsonTest, conformers) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/conformers.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.atomCount(), static_cast(14)); EXPECT_EQ(molecule.bondCount(), static_cast(13)); EXPECT_EQ(molecule.coordinate3dCount(), static_cast(3)); // okay now save it and make sure we still have the same number success = cjson.writeFile("conformertmp.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); Molecule otherMolecule; success = cjson.readFile("conformertmp.cjson", otherMolecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(otherMolecule.atomCount(), static_cast(14)); EXPECT_EQ(otherMolecule.bondCount(), static_cast(13)); EXPECT_EQ(otherMolecule.coordinate3dCount(), static_cast(3)); } TEST(CjsonTest, partialCharges) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/cjson/formaldehyde.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.atomCount(), static_cast(4)); EXPECT_EQ(molecule.bondCount(), static_cast(3)); EXPECT_EQ(molecule.coordinate3dCount(), static_cast(7)); // check partial charges auto types = molecule.partialChargeTypes(); // should be Loewdin and Mulliken EXPECT_EQ(types.size(), static_cast(2)); MatrixX loewdinCharges = molecule.partialCharges("Loewdin"); // should be 4 atoms EXPECT_EQ(loewdinCharges.rows(), static_cast(4)); // check the charges on atoms EXPECT_EQ(loewdinCharges(0, 0), 0.133356); EXPECT_EQ(loewdinCharges(1, 0), -0.112557); MatrixX mullikenCharges = molecule.partialCharges("Mulliken"); // should be 4 atoms EXPECT_EQ(mullikenCharges.rows(), static_cast(4)); // check the charges on atoms EXPECT_EQ(mullikenCharges(0, 0), 0.16726); EXPECT_EQ(mullikenCharges(1, 0), -0.201292); // okay now save it and make sure we still have the same number success = cjson.writeFile("formaldehysetmp.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); Molecule otherMolecule; success = cjson.readFile("formaldehysetmp.cjson", otherMolecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(otherMolecule.atomCount(), static_cast(4)); EXPECT_EQ(otherMolecule.bondCount(), static_cast(3)); EXPECT_EQ(otherMolecule.coordinate3dCount(), static_cast(7)); // check partial charges types = otherMolecule.partialChargeTypes(); // should be Loewdin and Mulliken EXPECT_EQ(types.size(), static_cast(2)); loewdinCharges = otherMolecule.partialCharges("Loewdin"); // should be 4 atoms EXPECT_EQ(loewdinCharges.rows(), static_cast(4)); // check the charges on atoms EXPECT_EQ(loewdinCharges(0, 0), 0.133356); EXPECT_EQ(loewdinCharges(1, 0), -0.112557); mullikenCharges = otherMolecule.partialCharges("Mulliken"); // should be 4 atoms EXPECT_EQ(mullikenCharges.rows(), static_cast(4)); // check the charges on atoms EXPECT_EQ(mullikenCharges(0, 0), 0.16726); EXPECT_EQ(mullikenCharges(1, 0), -0.201292); } OpenChemistry-avogadrolibs-ceb949f/tests/io/cmltest.cpp000066400000000000000000000176031516317240700234310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include using Avogadro::MatrixX; using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::Variant; using Avogadro::Io::CmlFormat; using namespace std::string_literals; TEST(CmlTest, readFile) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(CmlTest, atoms) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_EQ(atom.position3d().x(), 0.751621); EXPECT_EQ(atom.position3d().y(), -0.022441); EXPECT_EQ(atom.position3d().z(), -0.020839); atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.184988); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); } TEST(CmlTest, bonds) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(4)); EXPECT_EQ(bond.atom2().index(), static_cast(7)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CmlTest, readInvalidPeriodicFile) { for (const auto& file : { "impossible.cml"s, "lin-dep2.cml"s, "zero-a.cml"s, "zero-alpha.cml"s, "zero-b.cml"s, "zero-beta.cml"s, "zero-c.cml"s, "zero-gamma.cml"s, }) { CmlFormat cml; Molecule molecule; auto f = std::string(AVOGADRO_DATA) + "/data/cml/singular/" + file; EXPECT_FALSE(cml.readFile(f, molecule)) << f; EXPECT_EQ(cml.error(), " does not give linear independent lattice vectors\n"s) << f; } } TEST(CmlTest, fractionalCoords) { std::string cmlStr( "" "" "" "5.3" "2.4" "1.8" "85.000000" "90.000000" "105.000000" "" "" "" "" ""); CmlFormat cml; Molecule molecule; cml.readString(cmlStr, molecule); ASSERT_EQ(1, molecule.atomCount()); Atom atom = molecule.atom(0); EXPECT_EQ(1, atom.atomicNumber()); EXPECT_TRUE(atom.position3d().isApprox(Vector3(static_cast(2.33942), static_cast(1.24032), static_cast(0.89633)), 1e-5)); cmlStr.clear(); cml.writeString(cmlStr, molecule); std::cout << cmlStr << std::endl; EXPECT_TRUE(cmlStr.find("5.3" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("2.4" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("1.8" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("85" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("90" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("105" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("xFract=\"0.5\"") != std::string::npos); EXPECT_TRUE(cmlStr.find("yFract=\"0.5\"") != std::string::npos); EXPECT_TRUE(cmlStr.find("zFract=\"0.5\"") != std::string::npos); } TEST(CmlTest, saveFile) { CmlFormat cml; Molecule readMol, writeMol; cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", readMol); cml.writeFile("ethanetmp.cml", readMol); // Now read the file back in and check a few key values are still present. cml.readFile("ethanetmp.cml", writeMol); EXPECT_EQ(writeMol.data("name").toString(), "Ethane"); EXPECT_EQ(writeMol.atomCount(), static_cast(8)); EXPECT_EQ(writeMol.bondCount(), static_cast(7)); Atom atom = writeMol.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.18499); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); Bond bond = writeMol.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CmlTest, hdf5Matrix) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule); molecule.setData("name", "ethanol"); MatrixX matrix(10, 12); for (int row = 0; row < matrix.rows(); ++row) for (int col = 0; col < matrix.cols(); ++col) matrix(row, col) = row + col / static_cast(matrix.cols()); molecule.setData("matrix", matrix); cml.writeFile("ethane.cml", molecule); Molecule readMolecule; cml.readFile("ethane.cml", readMolecule); if (readMolecule.data("matrix").type() == Variant::Matrix) { EXPECT_TRUE(readMolecule.data("matrix").toMatrixRef().isApprox(matrix)); } EXPECT_EQ(readMolecule.data("name").toString(), "ethanol"s); } TEST(CmlTest, writeString) { CmlFormat cml; Molecule molecule; EXPECT_EQ( cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule), true); std::string file; EXPECT_EQ(cml.writeString(file, molecule), true); } TEST(CmlTest, readString) { CmlFormat cml; Molecule molecule; EXPECT_EQ( cml.readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule), true); std::string file; EXPECT_EQ(cml.writeString(file, molecule), true); Molecule moleculeFromString; EXPECT_EQ(cml.readString(file, moleculeFromString), true); EXPECT_EQ(moleculeFromString.data("name").toString(), "Ethane"); EXPECT_EQ(moleculeFromString.atomCount(), static_cast(8)); EXPECT_EQ(moleculeFromString.bondCount(), static_cast(7)); } OpenChemistry-avogadrolibs-ceb949f/tests/io/fileformatmanagertest.cpp000066400000000000000000000225311516317240700263350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::Variant; using Avogadro::Io::FileFormat; using Avogadro::Io::FileFormatManager; using namespace std::string_literals; TEST(FileFormatManagerTest, readFile) { FileFormat* format = FileFormatManager::instance().newFormatFromIdentifier("Avogadro: CML"); EXPECT_TRUE(format != nullptr); if (!format) return; Molecule molecule; format->readFile(std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml", molecule); delete format; format = nullptr; EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, identifiers) { std::vector ids = FileFormatManager::instance().identifiers(); std::cout << "FileFormatManager has loaded " << ids.size() << " formats.\n"; for (size_t i = 0; i < ids.size(); ++i) std::cout << i << ": " << ids[i] << std::endl; std::vector mimes = FileFormatManager::instance().mimeTypes(); std::cout << "\nMIME types supported:\n"; for (size_t i = 0; i < mimes.size(); ++i) std::cout << "\t" << mimes[i] << std::endl; std::vector extensions = FileFormatManager::instance().fileExtensions(); std::cout << "\nFile extensions supported:\n"; for (size_t i = 0; i < extensions.size(); ++i) std::cout << "\t" << extensions[i] << std::endl; } TEST(FileFormatManagerTest, emptyFile) { std::vector ids = FileFormatManager::instance().identifiers(); for (size_t i = 0; i < ids.size(); ++i) { FileFormat* format = FileFormatManager::instance().newFormatFromIdentifier(ids[i]); EXPECT_TRUE(format != nullptr); if (!format) { delete format; continue; } std::cout << "Testing " << ids[i] << std::endl; Molecule molecule; format->readString("", molecule); EXPECT_EQ(molecule.atomCount(), static_cast(0)); EXPECT_EQ(molecule.bondCount(), static_cast(0)); delete format; } } TEST(FileFormatManagerTest, readFileGuessCml) { Molecule molecule; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml"); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, readFileGuessCjson) { Molecule molecule; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson"); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, writeFileGuessCml) { Molecule readMol, writeMol; FileFormatManager::instance().readFile(readMol, std::string(AVOGADRO_DATA) + "/data/cml/ethane.cml"); FileFormatManager::instance().writeFile(readMol, "ethanemanagertmp.cml"); // Now read the file back in and check a few key values are still present. FileFormatManager::instance().readFile(writeMol, "ethanemanagertmp.cml"); EXPECT_EQ(writeMol.data("name").toString(), "Ethane"); EXPECT_EQ(writeMol.atomCount(), static_cast(8)); EXPECT_EQ(writeMol.bondCount(), static_cast(7)); Atom atom = writeMol.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.18499); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); Bond bond = writeMol.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(FileFormatManagerTest, writeStringCjson) { Molecule molecule; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson"); std::string cjson; FileFormatManager::instance().writeString(molecule, cjson, "cjson"); std::string cml; FileFormatManager::instance().writeString(molecule, cml, "cml"); std::cout << cjson << std::endl; std::cout << cml << std::endl; // See if they still have data in them now they have gone back and forth... Molecule cmlMol, cjsonMol; FileFormatManager::instance().readString(cjsonMol, cjson, "cjson"); FileFormatManager::instance().readString(cmlMol, cml, "cml"); EXPECT_EQ(cjsonMol.data("name").type(), Variant::String); EXPECT_EQ(cjsonMol.data("name").toString(), "Ethane"); EXPECT_EQ(cjsonMol.data("inchi").type(), Variant::String); EXPECT_EQ(cjsonMol.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); EXPECT_EQ(cmlMol.data("name").type(), Variant::String); EXPECT_EQ(cmlMol.data("name").toString(), "Ethane"); EXPECT_EQ(cmlMol.data("inchi").type(), Variant::String); EXPECT_EQ(cmlMol.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, writeStringCjsonOptions) { Molecule molecule; std::string options = "{ \"properties\": false }"; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/cjson/ethane.cjson"); std::string cjson; FileFormatManager::instance().writeString(molecule, cjson, "cjson", options); std::cout << cjson << std::endl; // See if they still have data in them now they have gone back and forth... Molecule cjsonMol; FileFormatManager::instance().readString(cjsonMol, cjson, "cjson"); // If the option was respected these should now be empty. EXPECT_EQ(cjsonMol.data("name").type(), Variant::Null); EXPECT_EQ(cjsonMol.data("name").toString(), ""); EXPECT_EQ(cjsonMol.data("inchi").type(), Variant::Null); EXPECT_EQ(cjsonMol.data("inchi").toString(), ""); } class Format : public FileFormat { private: Operations m_ops; std::string m_ident; public: Format(const std::string& ident, Operations ops) : FileFormat(), m_ops(ops), m_ident(ident) { } Operations supportedOperations() const override { return m_ops; } bool read(std::istream&, Molecule&) override { return false; } bool write(std::ostream&, const Molecule&) override { return false; } FileFormat* newInstance() const override { return new Format(m_ident, m_ops); } std::string identifier() const override { return m_ident; } std::string name() const override { return m_ident; } std::string description() const override { return m_ident; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override { std::vector result; result.push_back("asdfjkl;"); return result; } std::vector mimeTypes() const override { std::vector result; result.push_back("chemical/x-doodie"); return result; } }; TEST(FileFormatManagerTest, filtering) { // Add formats with various supported operations Format readOnly("readOnly", Format::All ^ Format::Write); Format writeOnly("writeOnly", Format::All ^ Format::Read); FileFormatManager::registerFormat(readOnly.newInstance()); FileFormatManager::registerFormat(writeOnly.newInstance()); FileFormatManager& manager = FileFormatManager::instance(); FileFormat* format = nullptr; format = manager.newFormatFromFileExtension("asdfjkl;", Format::Read); ASSERT_NE(format, nullptr); EXPECT_EQ(format->identifier(), "readOnly"s); delete format; format = manager.newFormatFromFileExtension("asdfjkl;", Format::Write); ASSERT_NE(format, nullptr); EXPECT_EQ(format->identifier(), "writeOnly"s); delete format; format = manager.newFormatFromMimeType("chemical/x-doodie", Format::Write); ASSERT_NE(format, nullptr); EXPECT_EQ(format->identifier(), "writeOnly"s); delete format; format = manager.newFormatFromMimeType("chemical/x-doodie", Format::Read); ASSERT_NE(format, nullptr); EXPECT_EQ(format->identifier(), "readOnly"s); delete format; } TEST(FileFormatManagerTest, unregister) { Format testFormat("testingFormat", FileFormat::All); FileFormatManager::registerFormat(testFormat.newInstance()); FileFormatManager& manager = FileFormatManager::instance(); FileFormat* format = manager.newFormatFromIdentifier("testingFormat"); ASSERT_NE(format, nullptr); EXPECT_EQ(format->identifier(), "testingFormat"s); delete format; EXPECT_TRUE(FileFormatManager::unregisterFormat("testingFormat")); format = manager.newFormatFromIdentifier("testingFormat"); ASSERT_TRUE(format == nullptr); } OpenChemistry-avogadrolibs-ceb949f/tests/io/fuzztest.cpp000066400000000000000000000014711516317240700236500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; // FUZZ_INPUT_FORMAT is defined in the build system // e.g., "cjson", "sdf", "xyz", etc. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { std::string input(reinterpret_cast(Data), Size); Molecule molecule; FileFormatManager::instance().readString(molecule, input, FUZZ_INPUT_FORMAT); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/io/hdf5test.cpp000066400000000000000000000221231516317240700234750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include using Avogadro::Io::Hdf5DataFormat; namespace { bool fileExists(const char* filename) { FILE* handle = fopen(filename, "r"); if (handle != nullptr) { fclose(handle); return true; } return false; } } // namespace TEST(Hdf5Test, openCloseReadOnly) { Hdf5DataFormat hdf5; std::string testfile = std::string(AVOGADRO_DATA) + "/data/hdf5file.h5"; ASSERT_TRUE(fileExists(testfile.c_str())); ASSERT_TRUE(hdf5.openFile(testfile.c_str(), Hdf5DataFormat::ReadOnly)) << "Failed to open " << testfile << " in read-only mode."; std::vector refDatasets; refDatasets.resize(3); refDatasets[0] = "Data"; refDatasets[1] = "Group1/Group2/Data"; refDatasets[2] = "Test/MoleculeData/Matrix1"; std::vector datasets = hdf5.datasets(); EXPECT_EQ(refDatasets.size(), datasets.size()) << "Unexpected list of datasets: Bad size."; if (refDatasets.size() == datasets.size()) { for (size_t i = 0; i < datasets.size(); ++i) { EXPECT_EQ(refDatasets[i], datasets[i]) << "Unexpected list of datasets: Mismatch at index " << i << "."; } } ASSERT_TRUE(hdf5.closeFile()) << "Failed to close read-only file " << testfile << "."; } TEST(Hdf5Test, openCloseReadWriteAppend) { Hdf5DataFormat hdf5; std::string testfile = std::string(AVOGADRO_DATA) + "/data/hdf5file.h5"; ASSERT_TRUE(fileExists(testfile.c_str())); ASSERT_TRUE(hdf5.openFile(testfile.c_str(), Hdf5DataFormat::ReadWriteAppend)) << "Failed to open " << testfile << " in read-write (append) mode."; std::vector refDatasets; refDatasets.resize(3); refDatasets[0] = "Data"; refDatasets[1] = "Group1/Group2/Data"; refDatasets[2] = "Test/MoleculeData/Matrix1"; std::vector datasets = hdf5.datasets(); EXPECT_EQ(refDatasets.size(), datasets.size()) << "Unexpected list of datasets: Bad size."; if (refDatasets.size() == datasets.size()) { for (size_t i = 0; i < datasets.size(); ++i) { EXPECT_EQ(refDatasets[i], datasets[i]) << "Unexpected list of datasets: Mismatch at index " << i << "."; } } ASSERT_TRUE(hdf5.closeFile()) << "Failed to close read-only file " << testfile << "."; } TEST(Hdf5Test, readWriteEigenMatrixXd) { std::string tmpFileName("Hdf5Test_readWriteEigenMatrixXd.hdf"); Hdf5DataFormat hdf5; ASSERT_TRUE(hdf5.openFile(tmpFileName, Hdf5DataFormat::ReadWriteTruncate)) << "Opening test file '" << tmpFileName << "' failed."; Eigen::MatrixXd mat(10, 10); for (int row = 0; row < 10; ++row) { for (int col = 0; col < 10; ++col) { mat(row, col) = row * col * col + row + col; } } EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2/Data", mat)) << "Writing Eigen::MatrixXd failed."; Eigen::MatrixXd matRead; EXPECT_TRUE(hdf5.readDataset("/Group1/Group2/Data", matRead)) << "Reading Eigen::MatrixXd failed."; EXPECT_TRUE(mat.isApprox(matRead)) << "Matrix read does not match matrix written.\nWritten:\n" << mat << "\nRead:\n" << matRead; ASSERT_TRUE(hdf5.closeFile()) << "Closing test file '" << tmpFileName << "' failed."; remove(tmpFileName.c_str()); } TEST(Hdf5Test, readWriteDoubleVector) { std::string tmpFileName("Hdf5Test_readWriteDoubleVector.hdf"); Hdf5DataFormat hdf5; ASSERT_TRUE(hdf5.openFile(tmpFileName, Hdf5DataFormat::ReadWriteTruncate)) << "Opening test file '" << tmpFileName << "' failed."; std::vector vec(100); size_t dims[2] = { 10, 10 }; for (int i = 0; i < 100; ++i) vec[i] = i / 10.0 + i / 5.0; EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2/Data", vec, 2, dims)) << "Writing std::vector failed."; std::vector vecRead; std::vector readDims = hdf5.readDataset("/Group1/Group2/Data", vecRead); EXPECT_EQ(readDims.size(), static_cast(2)) << "Reading std::vector failed: Invalid number of dimensions."; EXPECT_EQ(readDims.at(0), static_cast(10)) << "Reading std::vector failed: First dimension invalid."; EXPECT_EQ(readDims.at(1), static_cast(10)) << "Reading std::vector failed: Second dimension invalid."; for (size_t i = 0; i < 100; ++i) { EXPECT_EQ(vec[i], vecRead[i]) << "std::vector read/write mismatch at index " << i << "."; } ASSERT_TRUE(hdf5.closeFile()) << "Closing test file '" << tmpFileName << "' failed."; remove(tmpFileName.c_str()); } TEST(Hdf5Test, thresholds) { Hdf5DataFormat hdf5; size_t threshold = 12; hdf5.setThreshold(threshold); EXPECT_EQ(hdf5.threshold(), threshold); EXPECT_FALSE(hdf5.exceedsThreshold(threshold - 1)) << "Bad threshold check result for small data."; EXPECT_FALSE(hdf5.exceedsThreshold(threshold)) << "Bad threshold check result for data at threshold limit."; EXPECT_TRUE(hdf5.exceedsThreshold(threshold + 1)) << "Bad threshold check result for large data."; int numDoubles = static_cast(threshold / sizeof(double)); EXPECT_FALSE(hdf5.exceedsThreshold(Eigen::MatrixXd(1, numDoubles - 1))) << "Bad threshold check result for small data."; EXPECT_FALSE(hdf5.exceedsThreshold(Eigen::MatrixXd(1, numDoubles))) << "Bad threshold check result for data at threshold limit."; EXPECT_TRUE(hdf5.exceedsThreshold(Eigen::MatrixXd(1, numDoubles + 1))) << "Bad threshold check result for large data."; EXPECT_FALSE(hdf5.exceedsThreshold(std::vector(numDoubles - 1))) << "Bad threshold check result for small data."; EXPECT_FALSE(hdf5.exceedsThreshold(std::vector(numDoubles))) << "Bad threshold check result for data at threshold limit."; EXPECT_TRUE(hdf5.exceedsThreshold(std::vector(numDoubles + 1))) << "Bad threshold check result for large data."; } TEST(Hdf5Test, datasetInteraction) { std::string tmpFileName("Hdf5Test_datasetInteraction.hdf"); Hdf5DataFormat hdf5; ASSERT_TRUE(hdf5.openFile(tmpFileName, Hdf5DataFormat::ReadWriteTruncate)) << "Opening test file '" << tmpFileName << "' failed."; Eigen::MatrixXd mat(1, 1); mat(0, 0) = 0.0; std::vector vec(27); int ndim_vec = 3; size_t dims_vec[3] = { 3, 3, 3 }; EXPECT_TRUE(hdf5.writeDataset("/TLDData", vec, ndim_vec, dims_vec)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/DeeperData", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2/EvenDeeperData", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/DeeperDataSibling", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2a/Grandchild", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE( hdf5.writeDataset("/Group1/Group2a/Group3/Group4/Group5/Deeeep", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/TLDataSibling", mat)) << "Writing Eigen::MatrixXd failed."; std::vector refDatasets; refDatasets.resize(7); refDatasets[0] = "Group1/DeeperData"; refDatasets[1] = "Group1/DeeperDataSibling"; refDatasets[2] = "Group1/Group2/EvenDeeperData"; refDatasets[3] = "Group1/Group2a/Grandchild"; refDatasets[4] = "Group1/Group2a/Group3/Group4/Group5/Deeeep"; refDatasets[5] = "TLDData"; refDatasets[6] = "TLDataSibling"; std::vector datasets = hdf5.datasets(); EXPECT_EQ(refDatasets.size(), datasets.size()) << "Unexpected list of datasets: Bad size."; if (refDatasets.size() == datasets.size()) { for (size_t i = 0; i < datasets.size(); ++i) { EXPECT_EQ(refDatasets[i], datasets[i]) << "Unexpected list of datasets: Mismatch at index " << i << "."; } } EXPECT_FALSE(hdf5.datasetExists("/IShouldNotExist")) << "Non-existing dataset reported as found."; std::vector dim = hdf5.datasetDimensions("/Group1/DeeperData"); EXPECT_EQ(dim.size(), static_cast(2)) << "Wrong dimensionality returned."; EXPECT_EQ(dim[0], static_cast(1)) << "Wrong dimensionality returned."; EXPECT_EQ(dim[1], static_cast(1)) << "Wrong dimensionality returned."; dim = hdf5.datasetDimensions("/TLDData"); EXPECT_EQ(dim.size(), static_cast(ndim_vec)) << "Wrong dimensionality returned."; for (int i = 0; i < ndim_vec; ++i) { EXPECT_EQ(dim[i], dims_vec[i]) << "Wrong dimensionality returned at " << i; } for (size_t i = 0; i < refDatasets.size(); ++i) { const std::string& str = refDatasets[i]; EXPECT_TRUE(hdf5.datasetExists(str)) << "Data set should exist, but isn't found: " << str; EXPECT_TRUE(hdf5.removeDataset(str)) << "Error removing dataset " << str; EXPECT_FALSE(hdf5.datasetExists(str)) << "Removed dataset still exists: " << str; } ASSERT_TRUE(hdf5.closeFile()) << "Closing test file '" << tmpFileName << "' failed."; remove(tmpFileName.c_str()); } OpenChemistry-avogadrolibs-ceb949f/tests/io/iotests.h.in000066400000000000000000000001751516317240700235160ustar00rootroot00000000000000#ifndef AVOGADRO_IOTESTS_H #define AVOGADRO_IOTESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_IOTESTS_H OpenChemistry-avogadrolibs-ceb949f/tests/io/lammpstest.cpp000066400000000000000000000124331516317240700241430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Io::FileFormat; using Avogadro::Io::LammpsDataFormat; using Avogadro::Io::LammpsTrajectoryFormat; TEST(LammpsTest, read) { LammpsTrajectoryFormat multi; multi.open(AVOGADRO_DATA "/data/silicon_bulk.dump", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule, molecule2; // Read in the structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); // First, let's check the unit cell UnitCell* uc = molecule.unitCell(); bool status = true; EXPECT_EQ(uc->aVector(), Vector3(2.7155000000000001e+01, 0.00000000, 0.00000000)); EXPECT_EQ(uc->bVector(), Vector3(0.00000000, 2.7155000000000001e+01, 0.00000000)); EXPECT_EQ(uc->cVector(), Vector3(0.00000000, 0.00000000, 2.7155000000000001e+01)); // Check that the number of atoms per step and number of steps in the // trajectory were read correctly EXPECT_EQ(molecule.atomCount(), 1000); EXPECT_EQ(molecule.coordinate3dCount(), 11); // First frame EXPECT_EQ(molecule.timeStep(0, status), 0); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), 1.35775); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.35775); EXPECT_EQ(molecule.atom(1).position3d().z(), 1.35775); EXPECT_EQ(molecule.atom(4).position3d().x(), 10.862); EXPECT_EQ(molecule.atom(4).position3d().y(), 0); EXPECT_EQ(molecule.atom(4).position3d().z(), 0); // Switching to second frame EXPECT_TRUE(molecule.setCoordinate3d(1)); EXPECT_EQ(molecule.timeStep(1, status), 10); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), 1.34317); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.30464); EXPECT_EQ(molecule.atom(1).position3d().z(), 1.42722); EXPECT_EQ(molecule.atom(4).position3d().x(), 10.7867); EXPECT_EQ(molecule.atom(4).position3d().y(), -0.0484348); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.0809766); // Switching to last frame EXPECT_TRUE(molecule.setCoordinate3d(10)); EXPECT_EQ(molecule.timeStep(10, status), 100); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), 1.37614); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.34302); EXPECT_EQ(molecule.atom(1).position3d().z(), 1.39375); EXPECT_EQ(molecule.atom(4).position3d().x(), 10.6846); EXPECT_EQ(molecule.atom(4).position3d().y(), -0.0479311); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.0770097); } TEST(LammpsTest, modes) { // This tests some of the mode setting/checking code LammpsTrajectoryFormat format; format.open(AVOGADRO_DATA "/data/silicon_bulk.dump", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); // Try some combinations now. format.open(AVOGADRO_DATA "/data/silicon_bulk.dump", FileFormat::Read | FileFormat::MultiMolecule); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.isMode(FileFormat::Read | FileFormat::MultiMolecule)); EXPECT_TRUE(format.isMode(FileFormat::MultiMolecule)); } TEST(LammpsTest, write) { Molecule molecule; molecule.addAtom(5).setPosition3d(Vector3(1.2, 1.6, 2.0)); molecule.addAtom(7).setPosition3d(Vector3(3.0, 2.4, 2.5)); { LammpsDataFormat lmpdat; molecule.setData("name", "left-handed system [j, i, k]"); auto* const uc = new UnitCell({ 0.0, 4.0, 0.0 }, { 5.0, 0.0, 0.0 }, { 0.0, 0.0, 6.0 }); molecule.setUnitCell(uc); std::string output; ASSERT_TRUE(lmpdat.writeString(output, molecule)); EXPECT_EQ(output, R"(left-handed system [j, i, k] 2 atoms 0 bonds 2 atom types 0.000000 4.000000 xlo xhi 0.000000 5.000000 ylo yhi 0.000000 6.000000 zlo zhi 0.000000 0.000000 0.000000 xy xz yz Masses 1 10.81 2 14.007 Atoms 1 1 1.600000 1.200000 2.000000 2 2 2.400000 3.000000 2.500000 )"); } { LammpsDataFormat lmpdat; molecule.setData("name", "right-handed silicon primitive cell"); auto* const uc = new UnitCell({ 0.0, 2.0, 2.0 }, { 2.0, 0.0, 2.0 }, { 2.0, 2.0, 0.0 }); molecule.setUnitCell(uc); std::string output; ASSERT_TRUE(lmpdat.writeString(output, molecule)); EXPECT_EQ(output, R"(right-handed silicon primitive cell 2 atoms 0 bonds 2 atom types 0.000000 2.828427 xlo xhi 0.000000 2.449490 ylo yhi 0.000000 2.309401 zlo zhi 1.414214 1.414214 0.816497 xy xz yz Masses 1 10.81 2 14.007 Atoms 1 1 2.545584 1.143095 0.461880 2 2 3.464823 2.490315 1.674316 )"); } } OpenChemistry-avogadrolibs-ceb949f/tests/io/mdltest.cpp000066400000000000000000000225121516317240700234250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::SP2; using Avogadro::Core::Variant; using Avogadro::Io::FileFormat; using Avogadro::Io::MdlFormat; TEST(MdlTest, readFile) { MdlFormat mdl; Molecule molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/sdf/ethane.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); } TEST(MdlTest, atoms) { MdlFormat mdl; Molecule molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/sdf/ethane.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_DOUBLE_EQ(atom.position3d().x(), 0.7516); EXPECT_DOUBLE_EQ(atom.position3d().y(), -0.0224); EXPECT_DOUBLE_EQ(atom.position3d().z(), -0.0208); atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_DOUBLE_EQ(atom.position3d().x(), -1.1850); EXPECT_DOUBLE_EQ(atom.position3d().y(), 0.0044); EXPECT_DOUBLE_EQ(atom.position3d().z(), -0.9875); } TEST(MdlTest, bonds) { MdlFormat mdl; Molecule molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/sdf/ethane.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(4)); EXPECT_EQ(bond.atom2().index(), static_cast(7)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(MdlTest, saveFile) { MdlFormat mdl; Molecule savedMolecule, molecule; bool success = mdl.readFile( std::string(AVOGADRO_DATA) + "/data/sdf/ethane.mol", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); success = mdl.writeFile("ethanetmp.mol", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); // Now read the file back in and check a few key values are still present. success = mdl.readFile("ethanetmp.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Atom atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_DOUBLE_EQ(atom.position3d().x(), -1.1850); EXPECT_DOUBLE_EQ(atom.position3d().y(), 0.0044); EXPECT_DOUBLE_EQ(atom.position3d().z(), -0.9875); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(MdlTest, readMulti) { MdlFormat multi; multi.open(AVOGADRO_DATA "/data/sdf/multi.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule; // Read in the first structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Methane"); EXPECT_EQ(molecule.atomCount(), 5); EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().x(), -0.5134); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().y(), 0.8892); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().z(), -0.3630); // Now read in the second structure. Molecule molecule2; EXPECT_TRUE(multi.readMolecule(molecule2)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule2.data("name").toString(), "Caffeine"); EXPECT_EQ(molecule2.atomCount(), 24); EXPECT_EQ(molecule2.bondCount(), 25); // Should return false when there are no more molecules to be read in. EXPECT_FALSE(multi.readMolecule(molecule)); } TEST(MdlTest, writeMulti) { MdlFormat multi; multi.open(AVOGADRO_DATA "/data/sdf/multi.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule mol[2]; // Read in the two structures in the file. EXPECT_TRUE(multi.readMolecule(mol[0])); ASSERT_EQ(multi.error(), ""); EXPECT_TRUE(multi.readMolecule(mol[1])); ASSERT_EQ(multi.error(), ""); multi.close(); // Now attempt to write out a multi-molecule file. multi.open("multitmp.sdf", FileFormat::Write | FileFormat::MultiMolecule); multi.writeMolecule(mol[0]); multi.writeMolecule(mol[1]); multi.close(); // Finally, let's read them back in and check the basic properties match. multi.open("multitmp.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule ref[2]; EXPECT_TRUE(multi.readMolecule(ref[0])); EXPECT_TRUE(multi.readMolecule(ref[1])); // Compare some properties and see if they made it all the way back to us. for (int i = 0; i < 2; ++i) { EXPECT_EQ(mol[i].data("name").toString(), ref[i].data("name").toString()); EXPECT_EQ(mol[i].atomCount(), ref[i].atomCount()); EXPECT_EQ(mol[i].bondCount(), ref[i].bondCount()); } } TEST(MdlTest, readSdfData) { MdlFormat multi; multi.open(AVOGADRO_DATA "/data/sdf/pubchem3.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule mol[2]; EXPECT_TRUE(multi.readMolecule(mol[0])); EXPECT_TRUE(multi.readMolecule(mol[1])); // Check a few of the data parameters in the first few molecules. EXPECT_EQ( mol[0].data("PUBCHEM_IUPAC_INCHI").toString(), "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3"); EXPECT_EQ(mol[0].data("PUBCHEM_OPENEYE_CAN_SMILES").toString(), "CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"); EXPECT_EQ( mol[1].data("PUBCHEM_IUPAC_INCHI").toString(), "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1"); EXPECT_EQ(mol[1].data("PUBCHEM_OPENEYE_CAN_SMILES").toString(), "CC(=O)OC(CC(=O)O)C[N+](C)(C)C"); } TEST(MdlTest, readV2000Valence) { // Test that the vvv valence field in V2000 atom lines sets hybridization. // The carbene_v2000.mol file has two carbene carbons (atoms 8, 15) // with VAL=3, which should be interpreted as SP2 hybridization. MdlFormat mdl; Molecule molecule; bool success = mdl.readFile( std::string(AVOGADRO_DATA) + "/data/sdf/carbene_v2000.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.atomCount(), static_cast(27)); EXPECT_EQ(molecule.bondCount(), static_cast(29)); // Carbene carbons at indices 8 and 15 should have SP2 hybridization Atom carbene1 = molecule.atom(8); EXPECT_EQ(carbene1.atomicNumber(), static_cast(6)); EXPECT_EQ(carbene1.hybridization(), SP2); Atom carbene2 = molecule.atom(15); EXPECT_EQ(carbene2.atomicNumber(), static_cast(6)); EXPECT_EQ(carbene2.hybridization(), SP2); // A normal carbon (e.g., atom 0) should not have hybridization set Atom normalC = molecule.atom(0); EXPECT_EQ(normalC.atomicNumber(), static_cast(6)); EXPECT_EQ(normalC.hybridization(), Avogadro::Core::HybridizationUnknown); } TEST(MdlTest, readV3000Valence) { // Test that the VAL= property in V3000 atom lines sets hybridization. // The carbene_v3000.mol file has two carbene carbons (atoms 8, 15) // with VAL=3, which should be interpreted as SP2 hybridization. MdlFormat mdl; Molecule molecule; bool success = mdl.readFile( std::string(AVOGADRO_DATA) + "/data/sdf/carbene_v3000.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.atomCount(), static_cast(27)); EXPECT_EQ(molecule.bondCount(), static_cast(29)); // Carbene carbons at indices 8 and 15 should have SP2 hybridization Atom carbene1 = molecule.atom(8); EXPECT_EQ(carbene1.atomicNumber(), static_cast(6)); EXPECT_EQ(carbene1.hybridization(), SP2); Atom carbene2 = molecule.atom(15); EXPECT_EQ(carbene2.atomicNumber(), static_cast(6)); EXPECT_EQ(carbene2.hybridization(), SP2); // A normal carbon (e.g., atom 0) should not have hybridization set Atom normalC = molecule.atom(0); EXPECT_EQ(normalC.atomicNumber(), static_cast(6)); EXPECT_EQ(normalC.hybridization(), Avogadro::Core::HybridizationUnknown); } OpenChemistry-avogadrolibs-ceb949f/tests/io/pdbtest.cpp000066400000000000000000000063541516317240700234240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::PdbFormat; TEST(PdbTest, read) { PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/1MYK.pdb", molecule); // how many atoms? EXPECT_EQ(molecule.atomCount(), 780); EXPECT_EQ(molecule.residueCount(), 108); } TEST(PdbTest, altLoc) { PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/1FDT.pdb", molecule); EXPECT_EQ(molecule.coordinate3dCount(), 2); EXPECT_FLOAT_EQ(molecule.atomPosition3d(264).x(), molecule.coordinate3d(1)[264].x()); EXPECT_FLOAT_EQ(molecule.atomPosition3d(264).y(), molecule.coordinate3d(1)[264].y()); EXPECT_FLOAT_EQ(molecule.atomPosition3d(264).z(), molecule.coordinate3d(1)[264].z()); EXPECT_TRUE( molecule.atomPosition3d(265).x() != molecule.coordinate3d(1)[265].x() || molecule.atomPosition3d(265).y() != molecule.coordinate3d(1)[265].y() || molecule.atomPosition3d(265).z() != molecule.coordinate3d(1)[265].z()); } TEST(PdbTest, readVillin) { PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/villin_N68H.pdb", molecule); // how many atoms? EXPECT_EQ(molecule.atomCount(), 8867); EXPECT_EQ(molecule.residueCount(), 371); EXPECT_EQ(molecule.coordinate3dCount(), 10); } TEST(PdbTest, cryst1) { PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/cryst1.pdb", molecule); EXPECT_EQ(molecule.atomCount(), 7); // make sure it has a unit cell bool hasUnitCell = (molecule.unitCell() != nullptr); EXPECT_TRUE(hasUnitCell); } TEST(PdbTest, cryst2) { // Crash fixed with #2182 PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/cryst2.pdb", molecule); EXPECT_EQ(molecule.atomCount(), 7); // make sure it has a unit cell bool hasUnitCell = (molecule.unitCell() != nullptr); EXPECT_TRUE(hasUnitCell); } TEST(PdbTest, cryst3) { // Crash fixed with #2182 PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/cryst3.pdb", molecule); EXPECT_EQ(molecule.atomCount(), 7); // make sure it has a unit cell bool hasUnitCell = (molecule.unitCell() != nullptr); EXPECT_TRUE(hasUnitCell); } TEST(PdbTest, pdb1) { // Windows crash reported as #2456 PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/pdb/1.pdb", molecule); // should be 60 atoms, sequence is TRP-LEU-ASN EXPECT_EQ(molecule.atomCount(), 60); // should be three residues EXPECT_EQ(molecule.residueCount(), 3); auto residues = molecule.residues(); EXPECT_EQ(residues[0].residueName(), "TRP"); EXPECT_EQ(residues[1].residueName(), "LEU"); EXPECT_EQ(residues[2].residueName(), "ASN"); } OpenChemistry-avogadrolibs-ceb949f/tests/io/turbomoletest.cpp000066400000000000000000000164771516317240700246760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include #include using Avogadro::ANGSTROM_TO_BOHR; using Avogadro::BOHR_TO_ANGSTROM; using Avogadro::Vector3; using Avogadro::Core::Molecule; using Avogadro::Io::TurbomoleFormat; using namespace std::string_literals; TEST(TurbomoleTest, readNonPeriodic) { TurbomoleFormat tmol; Molecule molecule; const auto str = R"(# $cell is commented out # $cell # 8.0 8.0 8.0 90.0 90.0 90.0 # $end $coord -1.000 2.000 4.000 h 1.568 2.000 4.000 cl f # Fixed $end )"s; EXPECT_TRUE(tmol.readString(str, molecule)) << str << '\n' << tmol.error(); const auto* const uc = molecule.unitCell(); EXPECT_EQ(uc, nullptr) << str << uc->cellMatrix(); ASSERT_EQ(molecule.atomCount(), 2u) << str; { const auto& atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), 1u); EXPECT_EQ(atom.position3d().x() / BOHR_TO_ANGSTROM, -1.0); EXPECT_EQ(atom.position3d().y() / BOHR_TO_ANGSTROM, 2.0); EXPECT_EQ(atom.position3d().z() / BOHR_TO_ANGSTROM, 4.0); } { const auto& atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), 17u); EXPECT_EQ(atom.position3d().x() / BOHR_TO_ANGSTROM, 1.568); EXPECT_EQ(atom.position3d().y() / BOHR_TO_ANGSTROM, 2.0); EXPECT_EQ(atom.position3d().z() / BOHR_TO_ANGSTROM, 4.0); } } TEST(TurbomoleTest, readCellParameters) { auto cell = [](unsigned periodic, const std::string& extra = "") { const std::map CELLS = { { 1, "6.0"s }, { 2, "6.0 8.0 90.0"s }, { 3, "6.0 8.0 10.0 90.0 90.0 90.0"s } }; return "$cell"s + extra + '\n' + CELLS.at(periodic) + '\n'; }; auto lattice = [](unsigned periodic, const std::string& extra = "") { std::map LATTICES = { { 1, "6.0"s }, { 2, "6.0 0.0\n0.0 8.0"s }, { 3, "6.0 0.0 0.0\n0.0 8.0 0.0\n0.0 0.0 10.0"s } }; return "$lattice"s + extra + '\n' + LATTICES.at(periodic) + '\n'; }; constexpr double EPS = 1.0e-14; for (unsigned periodic = 1u; periodic <= 3u; periodic++) { const auto periodic_kw = "$periodic "s + std::to_string(periodic) + '\n'; { TurbomoleFormat tmol; Molecule molecule; // $periodic is specified but $cell/$lattice is missed EXPECT_FALSE(tmol.readString(periodic_kw + "$end"s, molecule)); } for (unsigned n = 1u; n <= 3u; n++) { for (const auto& len : { ""s, // bohr " angs"s, // ångström "angs"s // INVALID: space required }) { for (const auto& str : { periodic_kw + cell(n, len) + "$end"s, periodic_kw + lattice(n, len) + "$end"s, cell(n, len) + periodic_kw + "$end"s, lattice(n, len) + periodic_kw + "$end"s, }) { TurbomoleFormat tmol; Molecule molecule; if (periodic != n || len == "angs"s) { // $periodic and $cell/$lattice mismatch, e.g. // // $periodic 3 // $cell 6.0 # 1D // $end // // $periodic 3 // $lattice // 6.0 0.0 # 2D // 0.0 8.0 # 2D // $end // // OR '$cellangs' or '$latticeangs' EXPECT_FALSE(tmol.readString(str, molecule)) << str; } else { // $periodic and $cell/$lattice match ASSERT_TRUE(tmol.readString(str, molecule)) << str << '\n' << tmol.error(); const auto* const uc = molecule.unitCell(); ASSERT_NE(uc, nullptr); const double factor = len.empty() ? ANGSTROM_TO_BOHR : 1.0; const auto& a = uc->aVector(); const auto& b = uc->bVector(); const auto& c = uc->cVector(); if (periodic == 1) { EXPECT_EQ(a * factor, Vector3(6.0, 0.0, 0.0)); EXPECT_NEAR(b[0], 0.0, EPS); EXPECT_EQ(b[1], 100.0); EXPECT_NEAR(b[2], 0.0, EPS); EXPECT_NEAR(c[0], 0.0, EPS); EXPECT_NEAR(c[1], 0.0, EPS); EXPECT_EQ(c[2], 100.0); } else if (periodic == 2) { EXPECT_EQ(a * factor, Vector3(6.0, 0.0, 0.0)); EXPECT_NEAR(b[0], 0.0, EPS); EXPECT_EQ(b[1] * factor, 8.0); EXPECT_NEAR(b[2], 0.0, EPS); EXPECT_NEAR(c[0], 0.0, EPS); EXPECT_NEAR(c[1], 0.0, EPS); EXPECT_EQ(c[2], 100.0); } else { EXPECT_EQ(a * factor, Vector3(6.0, 0.0, 0.0)); EXPECT_NEAR(b[0], 0.0, EPS); EXPECT_EQ(b[1] * factor, 8.0); EXPECT_NEAR(b[2], 0.0, EPS); EXPECT_NEAR(c[0], 0.0, EPS); EXPECT_NEAR(c[1], 0.0, EPS); EXPECT_NEAR(c[2] * factor, 10.0, EPS); } } } } } } } TEST(TurbomoleTest, writeString) { // Helper to format one atom line exactly as the writer does auto formatAtomLine = [](double x, double y, double z, const std::string& sym) -> std::string { std::ostringstream oss; oss << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << x << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << y << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << z << " " << std::setw(5) << std::right << sym << "\n"; return oss.str(); }; { // N2 — coordinates written in Bohr (default, no "angs" suffix) Molecule molecule; molecule.addAtom(7); molecule.setAtomPosition3d(0, { 0.0, 0.0, 0.0 }); molecule.addAtom(7); molecule.setAtomPosition3d(1, { 1.42, 0.0, 0.0 }); TurbomoleFormat tmol; std::string out; ASSERT_TRUE(tmol.writeString(out, molecule)); EXPECT_EQ(out, "$coord\n"s + formatAtomLine(0.0, 0.0, 0.0, "n") + formatAtomLine(1.42 * ANGSTROM_TO_BOHR, 0.0, 0.0, "n") + "$end\n"); } { // THO — tritium isotope label, coordinates in Bohr Molecule molecule; molecule.addAtom(1); molecule.setIsotope(0, 3); molecule.setAtomPosition3d(0, { -0.76, -0.6, 0.0 }); molecule.addAtom(1); molecule.setAtomPosition3d(1, { 0.76, -0.6, 0.0 }); molecule.addAtom(8); molecule.setAtomPosition3d(2, { 0.0, 0.0, 0.0 }); TurbomoleFormat tmol; std::string out; ASSERT_TRUE(tmol.writeString(out, molecule)); EXPECT_EQ(out, "$coord\n"s + formatAtomLine(-0.76 * ANGSTROM_TO_BOHR, -0.6 * ANGSTROM_TO_BOHR, 0.0, "h") + formatAtomLine(0.76 * ANGSTROM_TO_BOHR, -0.6 * ANGSTROM_TO_BOHR, 0.0, "h") + formatAtomLine(0.0, 0.0, 0.0, "o") + "$isosub\n1 3\n" + "$end\n"); } } OpenChemistry-avogadrolibs-ceb949f/tests/io/vasptest.cpp000066400000000000000000000166211516317240700236260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include #include #include using Avogadro::Matrix3; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Io::FileFormat; using Avogadro::Io::OutcarFormat; using Avogadro::Io::PoscarFormat; using namespace std::string_literals; TEST(VaspTest, readPoscar) { PoscarFormat poscar; Molecule molecule; EXPECT_TRUE( poscar.readFile(AVOGADRO_DATA "/data/vasp/rutile.POSCAR", molecule)); ASSERT_EQ(poscar.error(), std::string()); // First, let's check the unit cell UnitCell* uc = molecule.unitCell(); EXPECT_EQ(uc->aVector(), Vector3(2.95812000, 0.00000000, 0.00000000)); EXPECT_EQ(uc->bVector(), Vector3(0.00000000, 4.59373000, 0.00000000)); EXPECT_EQ(uc->cVector(), Vector3(0.00000000, 0.00000000, 4.59373000)); // Check that the number of atoms and number of bonds were read correctly EXPECT_EQ(molecule.atomCount(), 6); EXPECT_EQ(molecule.bondCount(), 0); // Check that the symbols were read correctly EXPECT_EQ(molecule.atom(0).atomicNumber(), 8); EXPECT_EQ(molecule.atom(1).atomicNumber(), 8); EXPECT_EQ(molecule.atom(2).atomicNumber(), 8); EXPECT_EQ(molecule.atom(3).atomicNumber(), 8); EXPECT_EQ(molecule.atom(4).atomicNumber(), 22); EXPECT_EQ(molecule.atom(5).atomicNumber(), 22); // Check a couple of positions to make sure they were read correctly // Need to convert to Fractional Vector3 pos1 = uc->toFractional(molecule.atom(1).position3d()); Vector3 pos5 = uc->toFractional(molecule.atom(5).position3d()); EXPECT_DOUBLE_EQ(pos1.x(), 0.0); EXPECT_DOUBLE_EQ(pos1.y(), 0.6947); EXPECT_DOUBLE_EQ(pos1.z(), 0.6947); EXPECT_DOUBLE_EQ(pos5.x(), 0.5); EXPECT_DOUBLE_EQ(pos5.y(), 0.5); EXPECT_DOUBLE_EQ(pos5.z(), 0.5); } TEST(VaspTest, readInvalidPoscar) { for (const auto& file : { "lin-dep.vasp"s, "zero-a.vasp"s, "zero-b.vasp"s, "zero-c.vasp"s, "zero-scale.vasp"s, }) { Molecule molecule; PoscarFormat poscar; auto f = std::string(AVOGADRO_DATA) + "/data/vasp/singular/" + file; EXPECT_FALSE(poscar.readFile(f, molecule)) << f; EXPECT_EQ(poscar.error(), "cell vectors are not linear independent\n"s) << f; } } TEST(VaspTest, writePoscar) { PoscarFormat poscar; Molecule molecule; molecule.setData("name", "TiO2 rutile"); Matrix3 mat; mat.col(0) = Vector3(2.95812, 0.00000, 0.00000); // A mat.col(1) = Vector3(0.00000, 4.59373, 0.00000); // B mat.col(2) = Vector3(0.00000, 0.00000, 4.59373); // C UnitCell* uc = new UnitCell(mat); molecule.setUnitCell(uc); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.0, 0.3053, 0.3053))); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.0, 0.6947, 0.6947))); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.5, 0.1947, 0.8053))); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.5, 0.8053, 0.1947))); molecule.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.0, 0.0, 0.0))); molecule.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.5, 0.5, 0.5))); std::string output; EXPECT_TRUE(poscar.writeString(output, molecule)); // The output should be an exact match with the sample file. std::istringstream outputStream(output); std::ifstream refStream(AVOGADRO_DATA "/data/vasp/rutile.POSCAR"); char outputChar = '\0'; char refChar = '\0'; outputStream >> std::noskipws; refStream >> std::noskipws; bool checkedSomething = false; while ((outputStream >> outputChar) && (refStream >> refChar)) { ASSERT_EQ(refChar, outputChar); checkedSomething = true; } EXPECT_TRUE(checkedSomething); } TEST(VaspTest, PoscarModes) { // This tests some of the mode setting/checking code, not explicitly Poscar // but // a concrete implementation is required in order to test. PoscarFormat format; format.open(AVOGADRO_DATA "/data/vasp/rutile.POSCAR", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); } TEST(VaspTest, readOutcar) { OutcarFormat multi; multi.open(AVOGADRO_DATA "/data/vasp/ti_bulk.OUTCAR", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule; // Read in the structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); // First, let's check the unit cell UnitCell* uc = molecule.unitCell(); EXPECT_EQ(uc->aVector(), Vector3(5.8783178329, 0.0000000000, 0.0000000000)); EXPECT_EQ(uc->bVector(), Vector3(-2.9391589165, 5.0907725749, 0.0000000000)); EXPECT_EQ(uc->cVector(), Vector3(0.0000000000, 0.0000000000, 9.2823419571)); // Check that the number of atoms per step and number of steps in the // trajectory were read correctly EXPECT_EQ(molecule.atomCount(), 16); EXPECT_EQ(molecule.coordinate3dCount(), 10); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), -0.00000); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.69693); EXPECT_EQ(molecule.atom(1).position3d().z(), 5.80146); EXPECT_EQ(molecule.atom(4).position3d().x(), 2.93916); EXPECT_EQ(molecule.atom(4).position3d().y(), 1.69693); EXPECT_EQ(molecule.atom(4).position3d().z(), 1.16029); // Switching to second frame EXPECT_TRUE(molecule.setCoordinate3d(1)); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), -0.00091); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.70362); EXPECT_EQ(molecule.atom(1).position3d().z(), 5.80402); EXPECT_EQ(molecule.atom(4).position3d().x(), 2.93439); EXPECT_EQ(molecule.atom(4).position3d().y(), 1.69969); EXPECT_EQ(molecule.atom(4).position3d().z(), 1.16202); // Switching to last frame EXPECT_TRUE(molecule.setCoordinate3d(9)); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), -0.00813); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.75426); EXPECT_EQ(molecule.atom(1).position3d().z(), 5.82452); EXPECT_EQ(molecule.atom(4).position3d().x(), 2.89744); EXPECT_EQ(molecule.atom(4).position3d().y(), 1.72157); EXPECT_EQ(molecule.atom(4).position3d().z(), 1.17499); } TEST(VaspTest, OutcarModes) { // This tests some of the mode setting/checking code OutcarFormat format; format.open(AVOGADRO_DATA "/data/vasp/ti_bulk.OUTCAR", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); // Try some combinations now. format.open(AVOGADRO_DATA "/data/vasp/ti_bulk.OUTCAR", FileFormat::Read | FileFormat::MultiMolecule); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.isMode(FileFormat::Read | FileFormat::MultiMolecule)); EXPECT_TRUE(format.isMode(FileFormat::MultiMolecule)); } OpenChemistry-avogadrolibs-ceb949f/tests/io/xyztest.cpp000066400000000000000000000206541516317240700235100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::Io::XyzFormat; // methane.xyz uses atomic symbols to identify atoms TEST(XyzTest, readAtomicSymbols) { XyzFormat xyz; Molecule molecule; EXPECT_TRUE(xyz.readFile(AVOGADRO_DATA "/data/xyz/methane.xyz", molecule)); ASSERT_EQ(xyz.error(), std::string()); EXPECT_EQ(molecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.36300); } TEST(XyzTest, readTotalEnergy) { { // Open Babel XyzFormat xyz; Molecule molecule; std::string str = "1\nEnergy: NaN\nAr 0.0 0.0 0.0\n"; ASSERT_TRUE(xyz.readString(str, molecule)); EXPECT_FALSE(molecule.hasData("totalEnergy")) << str; } { // xtb XyzFormat xyz; Molecule molecule; std::string str = "1\nenergy: -123.456\nAr 0.0 0.0 0.0\n"; ASSERT_TRUE(xyz.readString(str, molecule)); ASSERT_TRUE(molecule.hasData("totalEnergy")) << str; EXPECT_EQ(molecule.data("totalEnergy").toDouble(), -123.456) << str; } { // orca XyzFormat xyz; Molecule molecule; std::string str = "1\n E -1.23456E+2\nAr 0.0 0.0 0.0\n"; ASSERT_TRUE(xyz.readString(str, molecule)); ASSERT_TRUE(molecule.hasData("totalEnergy")) << str; EXPECT_EQ(molecule.data("totalEnergy").toDouble(), -123.456) << str; } } TEST(XyzTest, readZeroAtomsNoHang) { XyzFormat xyz; Molecule molecule; std::string str = "0\ncomment\n0\n"; EXPECT_TRUE(xyz.readString(str, molecule)); EXPECT_TRUE(xyz.error().empty()); EXPECT_EQ(molecule.atomCount(), 0); } // Turn off the option to perceive bonds TEST(XyzTest, readAtomicSymbolsNoBonds) { XyzFormat xyz; xyz.setOptions("{ \"perceiveBonds\": false }"); Molecule molecule; EXPECT_TRUE(xyz.readFile(AVOGADRO_DATA "/data/xyz/methane.xyz", molecule)); ASSERT_EQ(xyz.error(), std::string()); EXPECT_EQ(molecule.atomCount(), 5); // We turned off bond perception, so there should be zero bonds EXPECT_EQ(molecule.bondCount(), 0); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.36300); } // methane-num.xyz uses atomic numbers to identify atoms TEST(XyzTest, readAtomicNumbers) { XyzFormat xyz; Molecule molecule; xyz.readFile(AVOGADRO_DATA "/data/xyz/methane-num.xyz", molecule); EXPECT_EQ(molecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.36300); } TEST(XyzTest, write) { XyzFormat xyz; Molecule molecule; molecule.addAtom(6).setPosition3d(Vector3(0.0, 0.0, 0.0)); molecule.addAtom(1).setPosition3d(Vector3(0.0, 0.0, 1.089)); molecule.addAtom(1).setPosition3d(Vector3(1.026719, 0.0, -0.363)); molecule.addAtom(1).setPosition3d(Vector3(-0.51336, -0.889165, -0.363)); molecule.addAtom(1).setPosition3d(Vector3(-0.51336, 0.889165, -0.363)); std::string output; EXPECT_EQ(xyz.writeString(output, molecule), true); // this part is more of a roundtrip test Molecule readMolecule; xyz.readString(output, readMolecule); // make sure we've got the same thing EXPECT_EQ(readMolecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(readMolecule.bondCount(), 4); EXPECT_EQ(readMolecule.atom(0).atomicNumber(), 6); EXPECT_EQ(readMolecule.atom(1).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(2).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(3).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(4).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(readMolecule.atom(4).position3d().y(), 0.889165); EXPECT_EQ(readMolecule.atom(4).position3d().z(), -0.36300); } TEST(XyzTest, modes) { // This tests some of the mode setting/checking code, not explicitly Xyz but // a concrete implementation is required in order to test. XyzFormat format; format.open(AVOGADRO_DATA "/data/xyz/multi.xyz", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); // Try some combinations now. format.open(AVOGADRO_DATA "/data/xyz/multi.xyz", FileFormat::Read | FileFormat::MultiMolecule); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.isMode(FileFormat::Read | FileFormat::MultiMolecule)); EXPECT_TRUE(format.isMode(FileFormat::MultiMolecule)); } TEST(DISABLED_XyzTest, readMulti) { XyzFormat multi; multi.open(AVOGADRO_DATA "/data/xyz/multi.xyz", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule; // Read in the first structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Methane"); EXPECT_EQ(molecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().z(), -0.36300); // Now read in the second structure. Molecule molecule2; EXPECT_TRUE(multi.readMolecule(molecule2)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule2.data("name").toString(), "Caffeine"); EXPECT_EQ(molecule2.atomCount(), 24); EXPECT_EQ(molecule2.bondCount(), 0); // Should return false when there are no more molecules to be read in. EXPECT_FALSE(multi.readMolecule(molecule)); } TEST(DISABLED_XyzTest, writeMulti) { XyzFormat multi; multi.open(AVOGADRO_DATA "/data/xyz/multi.xyz", FileFormat::Read | FileFormat::MultiMolecule); Molecule mol[2]; // Read in the two structures in the file. EXPECT_TRUE(multi.readMolecule(mol[0])); ASSERT_EQ(multi.error(), ""); EXPECT_TRUE(multi.readMolecule(mol[1])); ASSERT_EQ(multi.error(), ""); multi.close(); // Now attempt to write out a multi-molecule file. multi.open("multitmp.xyz", FileFormat::Write | FileFormat::MultiMolecule); multi.writeMolecule(mol[0]); multi.writeMolecule(mol[1]); multi.close(); // Finally, let's read them back in and check the basic properties match. multi.open("multitmp.xyz", FileFormat::Read | FileFormat::MultiMolecule); Molecule ref[2]; EXPECT_TRUE(multi.readMolecule(ref[0])); EXPECT_TRUE(multi.readMolecule(ref[1])); // Compare some properties and see if they made it all the way back to us. for (int i = 0; i < 2; ++i) { EXPECT_EQ(mol[i].data("name").toString(), ref[i].data("name").toString()); EXPECT_EQ(mol[i].atomCount(), ref[i].atomCount()); EXPECT_EQ(mol[i].bondCount(), ref[i].bondCount()); } } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/000077500000000000000000000000001516317240700217655ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/CMakeLists.txt000066400000000000000000000056521516317240700245350ustar00rootroot00000000000000include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/qtgui" "${AvogadroLibs_BINARY_DIR}/avogadro/molequeue" "${AvogadroLibs_SOURCE_DIR}/tests/core") find_package(Qt${QT_VERSION} COMPONENTS Widgets Network Test REQUIRED) # Find python interpreter for input generator find_package(Python3 COMPONENTS Interpreter) # Setup config file with data location if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) endif() configure_file("${CMAKE_CURRENT_SOURCE_DIR}/qtguitests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/qtguitests.h" @ONLY) # Specify the name of each test (the Test will be appended where needed). set(tests CalcWorker ElementTranslator GenericHighlighter HydrogenTools MeshGenerator Molecule PackageManager RWMolecule ) if (BUILD_MOLEQUEUE) # Pull in MoleQueue find_package(MoleQueue REQUIRED NO_MODULE) include_directories(${MoleQueue_INCLUDE_DIRS}) list(APPEND tests MoleQueueQueueListModel ) set(MoleQueueLink Avogadro::MoleQueue MoleQueueClient) endif() if(Python3_EXECUTABLE AND AVOGADRO_DATA) list(APPEND tests # these are still somewhat broken # but it's not crucial #FileBrowseWidget #InputGenerator #InputGeneratorWidget ) list(APPEND MoleQueueLink Avogadro::MoleQueue) endif() # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() # Add a single executable for all of our tests. add_executable(AvogadroQtGuiTests ${testSrcs}) target_link_libraries(AvogadroQtGuiTests Avogadro::QtGui ${MoleQueueLink} ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB} Qt${QT_VERSION}::Widgets Qt${QT_VERSION}::Test) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "QtGui-${TestName}" COMMAND AvogadroQtGuiTests "--gtest_filter=${TestName}Test.*") endforeach() if (DEFINED ENV{LIB_FUZZING_ENGINE}) option(ENABLE_FUZZ "Enable fuzz testing." ON) else() option(ENABLE_FUZZ "Enable fuzz testing." OFF) endif() if(ENABLE_FUZZ OR DEFINED ENV{LIB_FUZZING_ENGINE}) set(qtgui_fuzz rwmolecule generichighlighter jsonwidget interfacescript-json) foreach(fuzzName ${qtgui_fuzz}) add_executable(fuzz_qtgui_${fuzzName} fuzz-${fuzzName}.cpp) if(DEFINED ENV{LIB_FUZZING_ENGINE}) target_link_libraries(fuzz_qtgui_${fuzzName} PRIVATE Avogadro::QtGui Qt${QT_VERSION}::Widgets Qt${QT_VERSION}::Test $ENV{LIB_FUZZING_ENGINE}) else() target_compile_options(fuzz_qtgui_${fuzzName} PRIVATE -g -fsanitize=fuzzer) target_link_options(fuzz_qtgui_${fuzzName} PRIVATE -fsanitize=fuzzer) target_link_libraries(fuzz_qtgui_${fuzzName} PRIVATE Avogadro::QtGui Qt${QT_VERSION}::Widgets Qt${QT_VERSION}::Test) endif() endforeach() endif() OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/calcworkertest.cpp000066400000000000000000000207421516317240700255320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include using Avogadro::Real; using Avogadro::Calc::EnergyCalculator; using Avogadro::Calc::LennardJones; using Avogadro::Calc::OptimizationOptions; using Avogadro::Core::Molecule; using Avogadro::QtGui::CalcWorker; namespace { // Ensure a QCoreApplication exists (required for cross-thread signal delivery). // The test binary uses gtest_main which does not create one. QCoreApplication* ensureApp() { if (QCoreApplication::instance()) return QCoreApplication::instance(); static int argc = 1; static char name[] = "CalcWorkerTest"; static char* argv[] = { name, nullptr }; static QCoreApplication app(argc, argv); return &app; } // Build a simple H2 molecule for testing Molecule buildH2() { Molecule mol; mol.addAtom(1); mol.addAtom(1); mol.setAtomPosition3d(0, Avogadro::Vector3(0.0, 0.0, 0.0)); mol.setAtomPosition3d(1, Avogadro::Vector3(0.0, 0.0, 1.5)); mol.addBond(0, 1); return mol; } // Helper: spin the Qt event loop until a QSignalSpy has at least one signal // or a timeout is reached. Returns true if signal was received. bool waitForSignal(QSignalSpy& spy, int timeoutMs = 5000) { if (spy.count() > 0) return true; return spy.wait(timeoutMs); } } // namespace TEST(CalcWorkerTest, evaluateEnergy) { ensureApp(); Molecule mol = buildH2(); auto* calc = new LennardJones(); Eigen::VectorXd mask = Eigen::VectorXd::Ones(6); auto* thread = new QThread; auto* worker = new CalcWorker; worker->moveToThread(thread); QObject::connect(thread, &QThread::finished, worker, &QObject::deleteLater); QObject::connect(thread, &QThread::finished, thread, &QObject::deleteLater); thread->start(); QSignalSpy readySpy(worker, &CalcWorker::calculatorReady); QSignalSpy evalSpy(worker, &CalcWorker::evaluateFinished); QMetaObject::invokeMethod(worker, "initCalculator", Qt::QueuedConnection, Q_ARG(Avogadro::Calc::EnergyCalculator*, calc), Q_ARG(Avogadro::Core::Molecule, mol), Q_ARG(Eigen::VectorXd, mask), Q_ARG(std::vector, std::vector())); ASSERT_TRUE(waitForSignal(readySpy)); // Get positions as a flat vector Eigen::VectorXd positions(6); positions << 0.0, 0.0, 0.0, 0.0, 0.0, 1.5; QMetaObject::invokeMethod(worker, "runEvaluate", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions), Q_ARG(bool, false)); ASSERT_TRUE(waitForSignal(evalSpy)); // Check we got a finite energy QList args = evalSpy.takeFirst(); double energy = args.at(1).toDouble(); EXPECT_TRUE(std::isfinite(energy)); thread->quit(); thread->wait(2000); } TEST(CalcWorkerTest, evaluateGradient) { ensureApp(); Molecule mol = buildH2(); auto* calc = new LennardJones(); Eigen::VectorXd mask = Eigen::VectorXd::Ones(6); auto* thread = new QThread; auto* worker = new CalcWorker; worker->moveToThread(thread); QObject::connect(thread, &QThread::finished, worker, &QObject::deleteLater); QObject::connect(thread, &QThread::finished, thread, &QObject::deleteLater); thread->start(); QSignalSpy readySpy(worker, &CalcWorker::calculatorReady); QSignalSpy evalSpy(worker, &CalcWorker::evaluateFinished); QMetaObject::invokeMethod(worker, "initCalculator", Qt::QueuedConnection, Q_ARG(Avogadro::Calc::EnergyCalculator*, calc), Q_ARG(Avogadro::Core::Molecule, mol), Q_ARG(Eigen::VectorXd, mask), Q_ARG(std::vector, std::vector())); ASSERT_TRUE(waitForSignal(readySpy)); Eigen::VectorXd positions(6); positions << 0.0, 0.0, 0.0, 0.0, 0.0, 1.5; QMetaObject::invokeMethod(worker, "runGradient", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions)); ASSERT_TRUE(waitForSignal(evalSpy)); QList args = evalSpy.takeFirst(); auto gradient = args.at(0).value(); double energy = args.at(1).toDouble(); EXPECT_TRUE(std::isfinite(energy)); EXPECT_EQ(gradient.size(), 6); EXPECT_TRUE(gradient.allFinite()); // Gradient should be non-zero for a non-equilibrium geometry EXPECT_GT(gradient.norm(), 0.0); thread->quit(); thread->wait(2000); } TEST(CalcWorkerTest, optimizeChunk) { ensureApp(); Molecule mol = buildH2(); auto* calc = new LennardJones(); Eigen::VectorXd mask = Eigen::VectorXd::Ones(6); auto* thread = new QThread; auto* worker = new CalcWorker; worker->moveToThread(thread); QObject::connect(thread, &QThread::finished, worker, &QObject::deleteLater); QObject::connect(thread, &QThread::finished, thread, &QObject::deleteLater); thread->start(); QSignalSpy readySpy(worker, &CalcWorker::calculatorReady); QSignalSpy optSpy(worker, &CalcWorker::optimizeFinished); QMetaObject::invokeMethod(worker, "initCalculator", Qt::QueuedConnection, Q_ARG(Avogadro::Calc::EnergyCalculator*, calc), Q_ARG(Avogadro::Core::Molecule, mol), Q_ARG(Eigen::VectorXd, mask), Q_ARG(std::vector, std::vector())); ASSERT_TRUE(waitForSignal(readySpy)); Eigen::VectorXd positions(6); positions << 0.0, 0.0, 0.0, 0.0, 0.0, 1.5; // Compute initial energy for comparison LennardJones lj; lj.setMolecule(&mol); double initialEnergy = lj.value(positions); OptimizationOptions options; options.chunkIterations = 5; QMetaObject::invokeMethod( worker, "runOptimizeChunk", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions), Q_ARG(Avogadro::Calc::OptimizationOptions, options)); ASSERT_TRUE(waitForSignal(optSpy)); QList args = optSpy.takeFirst(); auto newPositions = args.at(0).value(); auto gradient = args.at(1).value(); double energy = args.at(2).toDouble(); EXPECT_TRUE(std::isfinite(energy)); EXPECT_EQ(newPositions.size(), 6); EXPECT_TRUE(newPositions.allFinite()); // Energy should decrease after optimization EXPECT_LT(energy, initialEnergy); thread->quit(); thread->wait(2000); } TEST(CalcWorkerTest, cancel) { ensureApp(); Molecule mol = buildH2(); auto* calc = new LennardJones(); Eigen::VectorXd mask = Eigen::VectorXd::Ones(6); auto* thread = new QThread; auto* worker = new CalcWorker; worker->moveToThread(thread); QObject::connect(thread, &QThread::finished, worker, &QObject::deleteLater); QObject::connect(thread, &QThread::finished, thread, &QObject::deleteLater); thread->start(); QSignalSpy readySpy(worker, &CalcWorker::calculatorReady); QMetaObject::invokeMethod(worker, "initCalculator", Qt::QueuedConnection, Q_ARG(Avogadro::Calc::EnergyCalculator*, calc), Q_ARG(Avogadro::Core::Molecule, mol), Q_ARG(Eigen::VectorXd, mask), Q_ARG(std::vector, std::vector())); ASSERT_TRUE(waitForSignal(readySpy)); // Cancel before requesting work worker->cancel(); QSignalSpy optSpy(worker, &CalcWorker::optimizeFinished); Eigen::VectorXd positions(6); positions << 0.0, 0.0, 0.0, 0.0, 0.0, 1.5; OptimizationOptions options; options.chunkIterations = 5; QMetaObject::invokeMethod( worker, "runOptimizeChunk", Qt::QueuedConnection, Q_ARG(Eigen::VectorXd, positions), Q_ARG(Avogadro::Calc::OptimizationOptions, options)); ASSERT_TRUE(waitForSignal(optSpy)); // Should report converged=true due to cancellation QList args = optSpy.takeFirst(); bool converged = args.at(3).toBool(); EXPECT_TRUE(converged); thread->quit(); thread->wait(2000); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/elementtranslatortest.cpp000066400000000000000000000026111516317240700271340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::QtGui::ElementTranslator; TEST(ElementTranslatorTest, hydrogen) { QString name = ElementTranslator::name(1); EXPECT_FALSE(name.isEmpty()); EXPECT_EQ(name, QString("Hydrogen")); } TEST(ElementTranslatorTest, carbon) { QString name = ElementTranslator::name(6); EXPECT_FALSE(name.isEmpty()); EXPECT_EQ(name, QString("Carbon")); } TEST(ElementTranslatorTest, lastKnownElement) { // Oganesson is element 118 QString name = ElementTranslator::name(118); EXPECT_FALSE(name.isEmpty()); } TEST(ElementTranslatorTest, numberOfElements) { int count = ElementTranslator::numberOfElements(); EXPECT_GE(count, 118); } TEST(ElementTranslatorTest, invalidZero) { // Element 0 is "Dummy" or similar - should not crash QString name = ElementTranslator::name(0); // Just verify it doesn't crash; the value may be empty or "Unknown" } TEST(ElementTranslatorTest, beyondMax) { int max = ElementTranslator::numberOfElements(); // Should not crash for out-of-range QString name = ElementTranslator::name(max + 10); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/filebrowsewidgettest.cpp000066400000000000000000000046161516317240700267450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtguitests.h" #include #include #include #include #include #include using Avogadro::QtGui::FileBrowseWidget; // Need a QApplication to instantiate widget #define START_QAPP \ int argc = 1; \ char argName[] = "FakeApp.exe"; \ char* argv[2] = { argName, nullptr }; \ QApplication app(argc, argv); \ Q_UNUSED(app) TEST(FileBrowseWidgetTest, setFileName) { START_QAPP; FileBrowseWidget widget; QSignalSpy spy(&widget, &FileBrowseWidget::fileNameChanged); widget.setFileName("some file"); EXPECT_EQ(1, spy.count()); EXPECT_STREQ("some file", qPrintable(spy.front().front().toString())); EXPECT_STREQ("some file", qPrintable(widget.fileName())); EXPECT_STREQ("some file", qPrintable(widget.lineEdit()->text())); } TEST(FileBrowseWidgetTest, validExistingFile) { START_QAPP; FileBrowseWidget widget; widget.setMode(FileBrowseWidget::ExistingFile); widget.setFileName(AVOGADRO_DATA "/data/cml/ethane.cml"); EXPECT_TRUE(widget.validFileName()); widget.setFileName(AVOGADRO_DATA "/data/nonexisting.file"); EXPECT_FALSE(widget.validFileName()); } TEST(FileBrowseWidgetTest, validExecutableFile) { START_QAPP; FileBrowseWidget widget; widget.setMode(FileBrowseWidget::ExecutableFile); #ifndef Q_OS_WIN32 // Qt doesn't identify python files as exec on windows: widget.setFileName(AVOGADRO_DATA "/tests/avogadro/scripts/inputgeneratortest.py"); #else // Q_OS_WIN32 widget.setFileName("C:/Windows/System32/cmd.exe"); #endif // Q_OS_WIN32 EXPECT_TRUE(widget.validFileName()); widget.setFileName(AVOGADRO_DATA "/data/cml/ethane.cml"); EXPECT_FALSE(widget.validFileName()); widget.setFileName(AVOGADRO_DATA "/data/nonexisting.file"); EXPECT_FALSE(widget.validFileName()); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/fuzz-generichighlighter.cpp000066400000000000000000000050541516317240700273240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using namespace Avogadro::QtGui; namespace { constexpr size_t kMaxPatternLen = 256; constexpr size_t kMaxTextLen = 4096; constexpr size_t kMaxRules = 16; constexpr size_t kMaxPatternsPerRule = 4; QCoreApplication* ensureApp() { static int argc = 1; static char arg0[] = "fuzz"; static char* argv[] = { arg0, nullptr }; static QCoreApplication app(argc, argv); return &app; } } // namespace // Fuzz GenericHighlighter with random regex patterns and text. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { ensureApp(); FuzzedDataProvider fdp(Data, Size); // Build a text document (required parent for QSyntaxHighlighter) QTextDocument doc; GenericHighlighter highlighter(&doc); // Create random rules with random regex patterns size_t numRules = fdp.ConsumeIntegralInRange(1, kMaxRules); for (size_t i = 0; i < numRules && fdp.remaining_bytes() > 0; ++i) { GenericHighlighter::Rule& rule = highlighter.addRule(); size_t numPatterns = fdp.ConsumeIntegralInRange(1, kMaxPatternsPerRule); for (size_t j = 0; j < numPatterns && fdp.remaining_bytes() > 0; ++j) { std::string patStr = fdp.ConsumeRandomLengthString(kMaxPatternLen); QRegularExpression re(QString::fromStdString(patStr)); // Only add valid patterns (invalid ones would just be skipped in // production code too, but we test that isValid() doesn't crash) if (re.isValid()) rule.addPattern(re); } // Set a simple format QTextCharFormat fmt; fmt.setFontWeight(fdp.ConsumeBool() ? QFont::Bold : QFont::Normal); fmt.setFontItalic(fdp.ConsumeBool()); rule.setFormat(fmt); } // Generate text to highlight and set it on the document // (setting text triggers highlightBlock for each block) std::string text = fdp.ConsumeRandomLengthString(kMaxTextLen); doc.setPlainText(QString::fromStdString(text)); // Also test copy construction and operator+= if (highlighter.ruleCount() > 0) { GenericHighlighter copy(highlighter); GenericHighlighter combined(&doc); combined += copy; } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/fuzz-interfacescript-json.cpp000066400000000000000000000100221516317240700276140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::QtGui; namespace { constexpr size_t kMaxJsonLen = 8192; constexpr size_t kMaxStringLen = 4096; QCoreApplication* ensureApp() { static int argc = 1; static char arg0[] = "fuzz"; static char* argv[] = { arg0, nullptr }; static QCoreApplication app(argc, argv); return &app; } /// Thin subclass to access protected parsing methods for fuzzing. class FuzzableInterfaceScript : public InterfaceScript { public: explicit FuzzableInterfaceScript(QObject* parent = nullptr) : InterfaceScript(parent) { } bool fuzzParseJson(const QByteArray& json, QJsonDocument& doc) const { return parseJson(json, doc); } bool fuzzParseHighlightStyles(const QJsonArray& json) const { return parseHighlightStyles(json); } bool fuzzParseRules(const QJsonArray& json, GenericHighlighter& highlighter) const { return parseRules(json, highlighter); } bool fuzzParseFormat(const QJsonObject& json, QTextCharFormat& format) const { return parseFormat(json, format); } bool fuzzParsePattern(const QJsonValue& json, QRegularExpression& pattern) const { return parsePattern(json, pattern); } void fuzzReplaceKeywords(QString& str, const Core::Molecule& mol) const { replaceKeywords(str, mol); } }; } // namespace // Fuzz InterfaceScript JSON parsing: highlight styles, rules, patterns, // formats, and keyword replacement. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { ensureApp(); FuzzedDataProvider fdp(Data, Size); FuzzableInterfaceScript script; // Split the fuzz input: use part as JSON, part as a string for keywords size_t jsonLen = fdp.ConsumeIntegralInRange(0, kMaxJsonLen); std::string jsonStr = fdp.ConsumeRandomLengthString(jsonLen); QByteArray jsonBytes(jsonStr.data(), static_cast(jsonStr.size())); // 1. Fuzz parseJson QJsonDocument doc; if (!script.fuzzParseJson(jsonBytes, doc)) goto keywords; // Not valid JSON — skip to keyword testing // 2. If the top level is an array, fuzz parseHighlightStyles if (doc.isArray()) { script.fuzzParseHighlightStyles(doc.array()); } // 3. If the top level is an object, try multiple parsing paths if (doc.isObject()) { QJsonObject obj = doc.object(); // Try parseFormat { QTextCharFormat fmt; script.fuzzParseFormat(obj, fmt); } // Try parsePattern (expects an object with regexp/wildcard/string) { QRegularExpression pattern; script.fuzzParsePattern(QJsonValue(obj), pattern); } // If object has "rules" array, try parseRules if (obj.contains("rules") && obj["rules"].isArray()) { GenericHighlighter highlighter; script.fuzzParseRules(obj["rules"].toArray(), highlighter); } // If object has "highlightStyles" array, try parseHighlightStyles if (obj.contains("highlightStyles") && obj["highlightStyles"].isArray()) { script.fuzzParseHighlightStyles(obj["highlightStyles"].toArray()); } } keywords: // 4. Fuzz replaceKeywords with a random string and a fuzzed molecule if (fdp.remaining_bytes() > 0) { Core::Molecule mol = FuzzHelpers::buildMolecule(fdp); std::string kwStr = fdp.ConsumeRandomLengthString(kMaxStringLen); QString text = QString::fromStdString(kwStr); script.fuzzReplaceKeywords(text, mol); } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/fuzz-jsonwidget.cpp000066400000000000000000000034651516317240700256520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using namespace Avogadro::QtGui; namespace { constexpr size_t kMaxJsonLen = 8192; QCoreApplication* ensureApp() { static int argc = 1; static char arg0[] = "fuzz"; static char* argv[] = { arg0, nullptr }; static QCoreApplication app(argc, argv); return &app; } /// Thin subclass to access protected members for fuzzing. class FuzzableJsonWidget : public JsonWidget { public: explicit FuzzableJsonWidget(QWidget* parent = nullptr) : JsonWidget(parent) {} void setOptions(const QJsonObject& opts) { m_options = opts; } void fuzzUpdateOptions() { updateOptions(); } }; } // namespace // Fuzz JsonWidget by feeding random JSON as option specifications. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { ensureApp(); // Cap input size if (Size > kMaxJsonLen) Size = kMaxJsonLen; // Try to parse as JSON QJsonParseError error; QByteArray raw(reinterpret_cast(Data), static_cast(Size)); QJsonDocument doc = QJsonDocument::fromJson(raw, &error); if (error.error != QJsonParseError::NoError || !doc.isObject()) return 0; QJsonObject obj = doc.object(); FuzzableJsonWidget widget; widget.setOptions(obj); widget.fuzzUpdateOptions(); // Exercise the collect → apply round-trip QJsonObject collected = widget.collectOptions(); widget.applyOptions(collected); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/fuzz-rwmolecule.cpp000066400000000000000000000124301516317240700256430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include "fuzzhelpers.h" using namespace Avogadro; using namespace Avogadro::Core; using namespace Avogadro::QtGui; using Avogadro::FuzzHelpers::consumeAtomicNumber; using Avogadro::FuzzHelpers::consumeVector3; namespace { QCoreApplication* ensureApp() { static int argc = 1; static char arg0[] = "fuzz"; static char* argv[] = { arg0, nullptr }; static QCoreApplication app(argc, argv); return &app; } } // namespace // Fuzz QtGui::RWMolecule mutation operations and undo stack. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { ensureApp(); FuzzedDataProvider fdp(Data, Size); QtGui::Molecule mol = FuzzHelpers::buildMolecule(fdp); RWMolecule rwmol(mol); size_t steps = fdp.ConsumeIntegralInRange(1, 128); for (size_t i = 0; i < steps; ++i) { switch (fdp.ConsumeIntegral() % 14) { case 0: { // add atom unsigned char z = consumeAtomicNumber(fdp); if (fdp.ConsumeBool()) rwmol.addAtom(z, consumeVector3(fdp)); else rwmol.addAtom(z, fdp.ConsumeBool()); break; } case 1: { // remove atom if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); rwmol.removeAtom(atomId); break; } case 2: { // add bond if (rwmol.atomCount() < 2) break; Index a = fdp.ConsumeIntegral() % rwmol.atomCount(); Index b = fdp.ConsumeIntegral() % rwmol.atomCount(); if (a == b) break; unsigned char order = static_cast(1 + (fdp.ConsumeIntegral() % 3)); rwmol.addBond(a, b, order); break; } case 3: { // remove bond if (rwmol.bondCount() == 0) break; Index bondId = fdp.ConsumeIntegral() % rwmol.bondCount(); rwmol.removeBond(bondId); break; } case 4: { // set atom position if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); rwmol.setAtomPosition3d(atomId, consumeVector3(fdp)); break; } case 5: { // set atomic number if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); rwmol.setAtomicNumber(atomId, consumeAtomicNumber(fdp)); break; } case 6: { // set atom label if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); rwmol.setAtomLabel(atomId, FuzzHelpers::consumeString(fdp, 64)); break; } case 7: { // set bond label if (rwmol.bondCount() == 0) break; Index bondId = fdp.ConsumeIntegral() % rwmol.bondCount(); rwmol.setBondLabel(bondId, FuzzHelpers::consumeString(fdp, 64)); break; } case 8: { // set formal charge if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); signed char charge = static_cast(fdp.ConsumeIntegralInRange(-3, 3)); rwmol.setFormalCharge(atomId, charge); break; } case 9: { // set isotope if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); unsigned short isotope = static_cast(fdp.ConsumeIntegral()); rwmol.setIsotope(atomId, isotope); break; } case 10: { // set color if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); Vector3ub color(fdp.ConsumeIntegral(), fdp.ConsumeIntegral(), fdp.ConsumeIntegral()); rwmol.setColor(atomId, color); break; } case 11: { // set layer if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); size_t layer = fdp.ConsumeIntegral(); rwmol.setLayer(atomId, layer); break; } case 12: { // selection if (rwmol.atomCount() == 0) break; Index atomId = fdp.ConsumeIntegral() % rwmol.atomCount(); rwmol.setAtomSelected(atomId, fdp.ConsumeBool()); rwmol.atomSelected(atomId); break; } case 13: { // undo/redo if (fdp.ConsumeBool()) rwmol.undoStack().undo(); else rwmol.undoStack().redo(); break; } default: break; } } if (rwmol.atomCount() > 0) { rwmol.molecule().centerOfGeometry(); rwmol.molecule().centerOfMass(); rwmol.molecule().radius(); } return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/generichighlightertest.cpp000066400000000000000000000122651516317240700272320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include using Avogadro::QtGui::GenericHighlighter; namespace { // Extended GenericHighlighter that can export to html. Taken from // http://stackoverflow.com/questions/15280452 // This is used to verify that the rules properly highlight the correct portions // of text. // (You'd think QTextDocument::toHtml() would do this. It doesn't. :-/ ) class GenericHighlighterHtml : public GenericHighlighter { public: void asHtml(QString& html) { // Create a new document from all the selected text document. QTextCursor cursor(document()); cursor.select(QTextCursor::Document); QTextDocument* tempDocument(new QTextDocument); Q_ASSERT(tempDocument); QTextCursor tempCursor(tempDocument); tempCursor.insertFragment(cursor.selection()); tempCursor.select(QTextCursor::Document); // Set the default foreground for the inserted characters. QTextCharFormat textfmt = tempCursor.charFormat(); textfmt.setForeground(Qt::gray); tempCursor.setCharFormat(textfmt); // Apply the additional formats set by the syntax highlighter QTextBlock start = document()->findBlock(cursor.selectionStart()); QTextBlock end = document()->findBlock(cursor.selectionEnd()); end = end.next(); const int selectionStart = cursor.selectionStart(); const int endOfDocument = tempDocument->characterCount() - 1; for (QTextBlock current = start; current.isValid() && current != end; current = current.next()) { const QTextLayout* layout(current.layout()); foreach (const QTextLayout::FormatRange& range, layout->formats()) { const int startIdx = current.position() + range.start - selectionStart; const int endIdx = startIdx + range.length; if (endIdx <= 0 || startIdx >= endOfDocument) continue; tempCursor.setPosition(qMax(startIdx, 0)); tempCursor.setPosition(qMin(endIdx, endOfDocument), QTextCursor::KeepAnchor); tempCursor.setCharFormat(range.format); } } // Reset the user states since they are not interesting for (QTextBlock block = tempDocument->begin(); block.isValid(); block = block.next()) { block.setUserState(-1); } // Make sure the text appears pre-formatted, and set the background we want. tempCursor.select(QTextCursor::Document); QTextBlockFormat blockFormat = tempCursor.blockFormat(); blockFormat.setNonBreakableLines(true); // blockFormat.setBackground(Qt::black); tempCursor.setBlockFormat(blockFormat); // Finally retrieve the syntax highlighted and formatted html. html = tempCursor.selection().toHtml(); delete tempDocument; } }; } // namespace TEST(GenericHighlighterTest, exercise) { QTextDocument doc("A regexp will turn this blue.\n" "Only this and that will be yellow.\n" "A wildcard expression will turn this red.\n" "This string will be green.\n"); GenericHighlighterHtml highlighter; QTextCharFormat format; GenericHighlighter::Rule& regexpRule = highlighter.addRule(); regexpRule.addPattern(QRegularExpression("^.*regexp.*$")); format.setForeground(Qt::blue); regexpRule.setFormat(format); GenericHighlighter::Rule& regexpCapRule = highlighter.addRule(); regexpCapRule.addPattern(QRegularExpression("^.*(this)[^\n]*(that).*$")); format.setForeground(Qt::yellow); regexpCapRule.setFormat(format); // Regex equivalent of the old QRegExp wildcard "A wildcard*red." GenericHighlighter::Rule& wildcardRule = highlighter.addRule(); wildcardRule.addPattern(QRegularExpression("^A wildcard.*red\\.$")); format.setForeground(Qt::red); wildcardRule.setFormat(format); GenericHighlighter::Rule& stringRule = highlighter.addRule(); stringRule.addPattern(QRegularExpression("This string will be green.")); format.setForeground(Qt::green); stringRule.setFormat(format); highlighter.setDocument(&doc); highlighter.rehighlight(); QString html; highlighter.asHtml(html); // Verify the highlighted spans are present (Qt version-independent checks) EXPECT_TRUE(html.contains("color:#0000ff;\">A regexp will turn this blue.")) << "Blue regexp rule should highlight first line"; EXPECT_TRUE(html.contains("color:#ffff00;\">this")) << "Yellow capture rule should highlight 'this'"; EXPECT_TRUE(html.contains("color:#ffff00;\">that")) << "Yellow capture rule should highlight 'that'"; EXPECT_TRUE( html.contains("color:#ff0000;\">A wildcard expression will turn this red.")) << "Red wildcard rule should highlight third line"; EXPECT_TRUE(html.contains("color:#00ff00;\">This string will be green.")) << "Green string rule should highlight fourth line"; } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/hydrogentoolstest.cpp000066400000000000000000000114141516317240700262720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::QtGui::HydrogenTools; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWAtom; using Avogadro::QtGui::RWMolecule; using namespace std::string_literals; TEST(HydrogenToolsTest, removeAllHydrogens) { Molecule m; RWMolecule mol(m); mol.addAtom(1); HydrogenTools::removeAllHydrogens(mol); EXPECT_EQ(mol.atomCount(), 0); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom C3 = mol.addAtom(6); mol.addBond(C1, C2, 1); mol.addBond(C2, C3, 1); RWAtom H = mol.addAtom(1); mol.addBond(C1, H); H = mol.addAtom(1); mol.addBond(C1, H); H = mol.addAtom(1); mol.addBond(C1, H); H = mol.addAtom(1); mol.addBond(C2, H); H = mol.addAtom(1); mol.addBond(C2, H); H = mol.addAtom(1); mol.addBond(C3, H); H = mol.addAtom(1); mol.addBond(C3, H); H = mol.addAtom(1); mol.addBond(C3, H); HydrogenTools::removeAllHydrogens(mol); EXPECT_EQ("C3"s, mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_C3H8) { Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom C3 = mol.addAtom(6); mol.addBond(C1, C2, 1); mol.addBond(C2, C3, 1); HydrogenTools::adjustHydrogens(mol); EXPECT_EQ(11, mol.atomCount()); EXPECT_EQ(10, mol.bondCount()); EXPECT_EQ("C3H8"s, mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_C2H7NO) { Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom O1 = mol.addAtom(8); RWAtom N1 = mol.addAtom(7); mol.addBond(C1, C2, 1); mol.addBond(C2, O1, 1); mol.addBond(O1, N1, 1); HydrogenTools::adjustHydrogens(mol); EXPECT_EQ(11, mol.atomCount()); EXPECT_EQ(10, mol.bondCount()); EXPECT_EQ("C2H7NO"s, mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_C2H4O) { Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom O1 = mol.addAtom(8); mol.addBond(C1, C2, 1); mol.addBond(C2, O1, 2); HydrogenTools::adjustHydrogens(mol); EXPECT_EQ(7, mol.atomCount()); EXPECT_EQ(6, mol.bondCount()); EXPECT_EQ("C2H4O"s, mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_adjustments) { for (int i = 0; i < 3; ++i) { HydrogenTools::Adjustment adjustment; std::string expectedFormula; switch (i) { case 0: adjustment = HydrogenTools::Add; expectedFormula = "C2H14"; break; case 1: adjustment = HydrogenTools::Remove; expectedFormula = "C2H5"; break; case 2: adjustment = HydrogenTools::AddAndRemove; expectedFormula = "C2H8"; break; } Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); // Overbond this atom mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); RWAtom C2 = mol.addAtom(6); // Underbond this atom mol.addBond(C2, mol.addAtom(1)); EXPECT_EQ("C2H11"s, mol.molecule().formula()); HydrogenTools::adjustHydrogens(mol, adjustment); EXPECT_EQ(expectedFormula, mol.molecule().formula()); } } TEST(HydrogenToolsTest, valencyAdjustment_C) { Molecule m; RWMolecule mol(m); RWAtom C = mol.addAtom(6); int expectedAdjustment = 4; for (int i = 0; i < 8; ++i, --expectedAdjustment) { EXPECT_EQ(expectedAdjustment, HydrogenTools::valencyAdjustment(C)); mol.addBond(mol.addAtom(1), C, 1); } } TEST(HydrogenToolsTest, valencyAdjustment_N) { Molecule m; RWMolecule mol(m); RWAtom N = mol.addAtom(7); int expectedAdjustment = 3; for (int i = 0; i < 8; ++i, --expectedAdjustment) { if (i == 5) // neutral N can have 3 or 5 bonds in our valence model. EXPECT_EQ(0, HydrogenTools::valencyAdjustment(N)); else EXPECT_EQ(expectedAdjustment, HydrogenTools::valencyAdjustment(N)); mol.addBond(mol.addAtom(1), N, 1); } } TEST(HydrogenToolsTest, valencyAdjustment_O) { Molecule m; RWMolecule mol(m); RWAtom O = mol.addAtom(8); int expectedAdjustment = 2; for (int i = 0; i < 8; ++i, --expectedAdjustment) { EXPECT_EQ(expectedAdjustment, HydrogenTools::valencyAdjustment(O)); mol.addBond(mol.addAtom(1), O, 1); } } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/inputgeneratortest.cpp000066400000000000000000000101071516317240700264360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include "qtguitests.h" #include #include #include #include #include #include #include using Avogadro::MoleQueue::InputGenerator; using Avogadro::QtGui::GenericHighlighter; using namespace std::string_literals; TEST(InputGeneratorTest, exercise) { QString scriptFilePath(AVOGADRO_DATA "/tests/avogadro/scripts/inputgeneratortest.py"); InputGenerator gen(scriptFilePath); EXPECT_TRUE(gen.scriptFilePath() == scriptFilePath); EXPECT_TRUE(gen.displayName() == QLatin1String("Input Generator Test")) << gen.errorList().join("\n").toStdString(); // catch syntax errors const QJsonObject genOptions(gen.options()); EXPECT_TRUE(genOptions["userOptions"].isObject()); QJsonObject userOptions(genOptions["userOptions"].toObject()); EXPECT_TRUE(userOptions["Basis"].isObject()); // Create a set of input options by setting defaults QJsonObject inputOptions; QJsonObject options; for (const QString& optionName : userOptions.keys()) { EXPECT_TRUE(userOptions[optionName].isObject()); QJsonObject option(userOptions[optionName].toObject()); QString optionType(option["type"].toString()); if (optionType == QLatin1String("stringList")) { QJsonArray strings(option["values"].toArray()); int index = static_cast(options["default"].toDouble()); options.insert(optionName, strings.at(index)); } else { options.insert(optionName, option["default"]); } } // Use a cml file from the test data to test file path handling. QString testFilePath(AVOGADRO_DATA "/data/cml/ethane.cml"); options["Test FilePath"] = testFilePath; // And a fake molecule... Avogadro::Core::Molecule mol; mol.addAtom(6).setPosition3d(Avogadro::Vector3(1, 1, 1)); mol.addAtom(1).setPosition3d(Avogadro::Vector3(2, 3, 4)); mol.addAtom(8).setPosition3d(Avogadro::Vector3(-2, 3, -4)); inputOptions.insert("options", options); // Adding debugging should add another file: gen.setDebug(false); EXPECT_TRUE(gen.generateInput(inputOptions, mol)); int numFilesNoDebug(gen.numberOfInputFiles()); gen.setDebug(true); EXPECT_TRUE(gen.debug()); EXPECT_TRUE(gen.generateInput(inputOptions, mol)); EXPECT_EQ(numFilesNoDebug + 1, gen.numberOfInputFiles()); // Check that all expected files are produced EXPECT_EQ(4, gen.numberOfInputFiles()); EXPECT_TRUE(gen.fileNames().contains("job.opts")); EXPECT_TRUE(gen.fileNames().contains("job.coords")); EXPECT_TRUE(gen.fileNames().contains("job.testFilePath")); EXPECT_TRUE(gen.fileNames().contains("debug_info")); EXPECT_EQ(gen.mainFileName().toStdString(), "job.opts"s); // Validate the coordinates QString coords(gen.fileContents("job.coords")); EXPECT_TRUE( coords.contains("C 1.000000 0 1.000000 1 1.000000 1 Carbon")); EXPECT_TRUE( coords.contains("H 2.000000 0 3.000000 1 4.000000 1 Hydrogen")); EXPECT_TRUE( coords.contains("O -2.000000 0 3.000000 1 -4.000000 1 Oxygen")); // Validate the file returned by path QFile testFile(testFilePath); EXPECT_TRUE(testFile.open(QFile::ReadOnly)); QByteArray refData(testFile.readAll()); EXPECT_EQ(std::string(refData.constData()), gen.fileContents("job.testFilePath").toStdString()); // Check warnings/errors EXPECT_FALSE(gen.hasErrors()); EXPECT_EQ(0, gen.errorList().size()); EXPECT_EQ(5, gen.warningList().size()); // Highlight styles: GenericHighlighter* highlighter(gen.createFileHighlighter("job.opts")); EXPECT_TRUE(highlighter != nullptr); delete highlighter; highlighter = gen.createFileHighlighter("debug_info"); EXPECT_TRUE(highlighter == nullptr); delete highlighter; } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/inputgeneratorwidgettest.cpp000066400000000000000000000105031516317240700276420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include "qtguitests.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::MoleQueue::InputGeneratorWidget; using Avogadro::QtGui::FileBrowseWidget; using Avogadro::QtGui::Molecule; using namespace std::string_literals; namespace { void flushEvents() { // Post a quit event at the end of the event queue QTimer::singleShot(0, qApp, SLOT(quit())); // Process events in the queue qApp->exec(); } } // namespace TEST(InputGeneratorWidgetTest, exercise) { // Fake a QApplication -- needed to instantiate widgets. int argc = 1; char argName[] = "FakeApp.exe"; char* argv[2] = { argName, nullptr }; QApplication app(argc, argv); Q_UNUSED(app); // Setup the widget InputGeneratorWidget widget; QString scriptFilePath(AVOGADRO_DATA "/tests/avogadro/scripts/inputgeneratortest.py"); widget.setInputGeneratorScript(scriptFilePath); Molecule mol; mol.addAtom(6).setPosition3d(Avogadro::Vector3(1, 1, 1)); mol.addAtom(1).setPosition3d(Avogadro::Vector3(2, 3, 4)); mol.addAtom(8).setPosition3d(Avogadro::Vector3(-2, 3, -4)); widget.setMolecule(&mol); // Check that the generator is configured properly. EXPECT_EQ(widget.inputGenerator().displayName().toStdString(), "Input Generator Test"s); // Verify that appropriate widgets are produced for each parameter type: EXPECT_TRUE(widget.findChild("Test StringList") != nullptr); EXPECT_TRUE(widget.findChild("Test String") != nullptr); EXPECT_TRUE(widget.findChild("Test Integer") != nullptr); EXPECT_TRUE(widget.findChild("Test Boolean") != nullptr); EXPECT_TRUE(widget.findChild("Test FilePath") != nullptr); // Set a test filepath FileBrowseWidget* testFilePathWidget( widget.findChild("Test FilePath")); QString testFilePath(AVOGADRO_DATA "/data/cml/ethane.cml"); testFilePathWidget->setFileName(testFilePath); // Show the widget so that events are processed widget.show(); // Clear out the event queue so that the text edits are updated: flushEvents(); // Check the contents of the filepath file: QTextEdit* filePathEdit = widget.findChild("job.testFilePath"); QFile testFile(testFilePath); EXPECT_TRUE(testFile.open(QFile::ReadOnly | QFile::Text)); QByteArray refData(testFile.readAll()); EXPECT_EQ(std::string(refData.constData()), filePathEdit->document()->toPlainText().toStdString()); // Check the coords: QTextEdit* coordsEdit = widget.findChild("job.coords"); QString coords(coordsEdit->document()->toPlainText()); EXPECT_TRUE( coords.contains("C 1.000000 0 1.000000 1 1.000000 1 Carbon")); EXPECT_TRUE( coords.contains("H 2.000000 0 3.000000 1 4.000000 1 Hydrogen")); EXPECT_TRUE( coords.contains("O -2.000000 0 3.000000 1 -4.000000 1 Oxygen")); // Test the default reset -- trigger a reset, then verify that testFilePath // is cleared (we set it earlier) QPushButton* defaultsButton(widget.findChild("defaultsButton")); defaultsButton->click(); flushEvents(); EXPECT_TRUE(testFilePathWidget->fileName().isEmpty()); // Re-fetch the text edit in case the widget was recreated during regeneration filePathEdit = widget.findChild("job.testFilePath"); ASSERT_TRUE(filePathEdit != nullptr); EXPECT_EQ(filePathEdit->document()->toPlainText().toStdString(), "Reference file '' does not exist."s); // Test the autogenerated title: QLineEdit* titleEdit = widget.findChild("Title"); EXPECT_EQ(titleEdit->placeholderText().toStdString(), "CHO | Equilibrium Geometry | B3LYP/6-31G(d)"s); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/meshgeneratortest.cpp000066400000000000000000000054341516317240700262420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Vector3i; using Avogadro::Core::Cube; using Avogadro::Core::Mesh; using Avogadro::QtGui::MeshGenerator; namespace { // Create a cube filled with distance-from-origin values // Isosurface at value=r gives a sphere of radius r void fillSphereFunction(Cube& cube) { Vector3i dim = cube.dimensions(); for (int i = 0; i < dim.x(); ++i) for (int j = 0; j < dim.y(); ++j) for (int k = 0; k < dim.z(); ++k) { unsigned int idx = i * dim.y() * dim.z() + j * dim.z() + k; Vector3 pos = cube.position(idx); float val = static_cast(pos.norm()); cube.setValue(i, j, k, val); } } } // namespace TEST(MeshGeneratorTest, defaultConstructor) { MeshGenerator gen; EXPECT_EQ(gen.cube(), nullptr); EXPECT_EQ(gen.mesh(), nullptr); } TEST(MeshGeneratorTest, initializeAndAccessors) { Cube cube; cube.setLimits(Vector3(-3.0, -3.0, -3.0), Vector3(3.0, 3.0, 3.0), Vector3i(8, 8, 8)); fillSphereFunction(cube); Mesh mesh; MeshGenerator gen; bool ok = gen.initialize(&cube, &mesh, 1.5f); EXPECT_TRUE(ok); EXPECT_EQ(gen.cube(), &cube); EXPECT_EQ(gen.mesh(), &mesh); } TEST(MeshGeneratorTest, initializeNullCube) { Mesh mesh; MeshGenerator gen; bool ok = gen.initialize(nullptr, &mesh, 1.0f); EXPECT_FALSE(ok); } TEST(MeshGeneratorTest, progressBounds) { Cube cube; cube.setLimits(Vector3(-3.0, -3.0, -3.0), Vector3(3.0, 3.0, 3.0), Vector3i(8, 8, 8)); fillSphereFunction(cube); Mesh mesh; MeshGenerator gen; gen.initialize(&cube, &mesh, 1.5f); EXPECT_LT(gen.progressMinimum(), gen.progressMaximum()); } TEST(MeshGeneratorTest, generateSphereMesh) { // Create a cube with distance-from-origin values // Isosurface at 1.5 should produce a sphere mesh Cube cube; cube.setLimits(Vector3(-3.0, -3.0, -3.0), Vector3(3.0, 3.0, 3.0), Vector3i(12, 12, 12)); fillSphereFunction(cube); Mesh mesh; MeshGenerator gen; gen.initialize(&cube, &mesh, 1.5f); gen.run(); // synchronous execution // The mesh should have non-zero vertices and normals EXPECT_GT(mesh.vertices().size(), static_cast(0)); EXPECT_GT(mesh.normals().size(), static_cast(0)); // Vertices and normals should have the same count EXPECT_EQ(mesh.vertices().size(), mesh.normals().size()); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/moleculetest.cpp000066400000000000000000000564561516317240700252160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include "utils.h" using Avogadro::Index; using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Color3f; using Avogadro::Core::Mesh; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::PersistentAtom; using Avogadro::QtGui::PersistentBond; class MoleculeTest : public testing::Test { public: MoleculeTest(); protected: Molecule m_testMolecule; }; MoleculeTest::MoleculeTest() { Atom o1 = m_testMolecule.addAtom(8); Atom h2 = m_testMolecule.addAtom(1); Atom h3 = m_testMolecule.addAtom(1); Bond b[2]; b[0] = m_testMolecule.addBond(o1, h2, 1); b[1] = m_testMolecule.addBond(o1, h3, 2); o1.setPosition3d(Avogadro::Vector3(0, 0, 0)); h2.setPosition3d(Avogadro::Vector3(0.6, -0.5, 0)); h3.setPosition3d(Avogadro::Vector3(-0.6, -0.5, 0)); o1.setPosition2d(Avogadro::Vector2(0, 0)); h2.setPosition2d(Avogadro::Vector2(0.6, -0.5)); h3.setPosition2d(Avogadro::Vector2(-0.6, -0.5)); // Add some data Avogadro::Core::VariantMap data; data.setValue("test", Avogadro::Core::Variant("test")); m_testMolecule.setDataMap(data); Mesh* mesh = m_testMolecule.addMesh(); Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Avogadro::Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); mesh->setColors(colors); mesh->setNormals(normals); mesh->setVertices(vertices); mesh->setIsoValue(1.2f); mesh->setName("testmesh"); mesh->setOtherMesh(1); mesh->setStable(false); } TEST_F(MoleculeTest, addAtom) { Molecule molecule; EXPECT_EQ(molecule.atomCount(), static_cast(0)); Atom atom = molecule.addAtom(6); EXPECT_EQ(atom.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(1)); EXPECT_EQ(atom.index(), 0); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); Atom atom2 = molecule.addAtom(1); EXPECT_EQ(atom2.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(2)); EXPECT_EQ(atom2.index(), 1); EXPECT_EQ(atom2.atomicNumber(), static_cast(1)); } TEST_F(MoleculeTest, removeAtom) { Molecule molecule; Atom atom0 = molecule.addAtom(6); Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(1); Atom atom3 = molecule.addAtom(1); Atom atom4 = molecule.addAtom(1); molecule.addBond(atom0, atom1, 1); molecule.addBond(atom0, atom2, 1); molecule.addBond(atom0, atom3, 1); molecule.addBond(atom0, atom4, 1); EXPECT_EQ(5, molecule.atomCount()); EXPECT_EQ(4, molecule.bondCount()); molecule.removeAtom(atom0); EXPECT_EQ(4, molecule.atomCount()); EXPECT_EQ(0, molecule.bondCount()); molecule.clearAtoms(); EXPECT_EQ(0, molecule.atomCount()); } TEST_F(MoleculeTest, addBond) { Molecule molecule; EXPECT_EQ(molecule.bondCount(), static_cast(0)); Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); EXPECT_TRUE(bondAB.isValid()); EXPECT_EQ(bondAB.molecule(), &molecule); EXPECT_EQ(molecule.bondCount(), static_cast(1)); EXPECT_EQ(bondAB.index(), static_cast(0)); EXPECT_EQ(bondAB.atom1().index(), a.index()); EXPECT_EQ(bondAB.atom2().index(), b.index()); EXPECT_EQ(bondAB.order(), static_cast(1)); Atom c = molecule.addAtom(1); Bond bondBC = molecule.addBond(b, c, 2); EXPECT_TRUE(bondBC.isValid()); EXPECT_EQ(molecule.bondCount(), static_cast(2)); EXPECT_EQ(bondBC.index(), static_cast(1)); EXPECT_EQ(bondBC.order(), static_cast(2)); // try to lookup nonexistent bond Bond bond = molecule.bond(a, c); EXPECT_FALSE(bond.isValid()); // try to lookup bond between a and b bond = molecule.bond(a, b); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), a.index()); EXPECT_EQ(bond.atom2().index(), b.index()); // try to lookup bond between b and c by index bond = molecule.bond(1); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), b.index()); EXPECT_EQ(bond.atom2().index(), c.index()); } TEST_F(MoleculeTest, removeBond) { Molecule molecule; Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); Atom c = molecule.addAtom(1); molecule.addBond(b, c, 2); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(2, molecule.bondCount()); EXPECT_TRUE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.removeBond(bondAB); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(1, molecule.bondCount()); EXPECT_FALSE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.clearBonds(); EXPECT_EQ(0, molecule.bondCount()); } TEST_F(MoleculeTest, findBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Bond b = molecule.addBond(a1, a2, 1); EXPECT_EQ(molecule.bond(a1, a2).index(), b.index()); EXPECT_EQ(molecule.bond(a2, a1).index(), b.index()); Array bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 1); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a3, 1); EXPECT_EQ(molecule.bonds(a1).size(), 2); EXPECT_EQ(molecule.bonds(a3).size(), 1); } TEST_F(MoleculeTest, uniqueAtom) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Bond b1 = molecule.addBond(a1, a2, 1); Bond b2 = molecule.addBond(a1, a3, 2); Index uid1 = molecule.atomUniqueId(a1); Index uid2 = molecule.atomUniqueId(a2); Index uid3 = molecule.atomUniqueId(a3); EXPECT_EQ(uid1, 0); EXPECT_EQ(uid2, 1); EXPECT_EQ(uid3, 2); EXPECT_EQ(molecule.bond(a1, a2).index(), b1.index()); EXPECT_EQ(molecule.bond(a2, a1).index(), b1.index()); EXPECT_EQ(molecule.bond(a3, a1).index(), b2.index()); Array bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 2); molecule.removeAtom(a2); bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 1); Atom a4 = molecule.addAtom(8); Index uid4 = molecule.atomUniqueId(a4); EXPECT_EQ(uid4, 3); molecule.addBond(a1, a4, 1); EXPECT_EQ(molecule.bonds(a1).size(), 2); EXPECT_EQ(molecule.bonds(a3).size(), 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects. Atom test = molecule.atomByUniqueId(uid1); EXPECT_TRUE(a1 == test); test = molecule.atomByUniqueId(uid2); EXPECT_FALSE(test.isValid()); test = molecule.atomByUniqueId(uid4); EXPECT_FALSE(a1 == test); EXPECT_TRUE(a4 == test); EXPECT_TRUE(a2 != test); EXPECT_EQ(test.atomicNumber(), 8); } TEST_F(MoleculeTest, uniqueAtomRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a2, 1); molecule.addBond(a1, a3, 2); Index uid1 = molecule.atomUniqueId(a1); Index uid2 = molecule.atomUniqueId(a2); molecule.removeAtom(a2); Atom a4 = molecule.addAtom(8); molecule.addBond(a1, a4, 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects. Atom test = molecule.atomByUniqueId(uid1); EXPECT_TRUE(a1 == test); test = molecule.atomByUniqueId(uid2); EXPECT_FALSE(test.isValid()); test = molecule.addAtom(8, uid2); EXPECT_TRUE(test.isValid()); EXPECT_TRUE(molecule.atomByUniqueId(uid2).isValid()); } TEST_F(MoleculeTest, persistentAtom) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a2, 1); molecule.addBond(a1, a3, 2); Molecule::PersistentAtomType pa1(a1); Molecule::PersistentAtomType pa2(&molecule, molecule.atomUniqueId(a2)); Molecule::PersistentAtomType pa3(&molecule, molecule.atomUniqueId(a3)); EXPECT_EQ(pa1.uniqueIdentifier(), 0); EXPECT_EQ(pa2.uniqueIdentifier(), 1); EXPECT_EQ(pa3.uniqueIdentifier(), 2); molecule.removeAtom(a2); Atom a4 = molecule.addAtom(8); Molecule::PersistentAtomType pa4(&molecule, molecule.atomUniqueId(a4)); EXPECT_EQ(pa4.uniqueIdentifier(), 3); molecule.addBond(a1, a4, 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects from their persistent atom containers. Atom test = pa1.atom(); EXPECT_TRUE(a1 == test); test = pa2.atom(); EXPECT_FALSE(pa2.isValid()); EXPECT_FALSE(test.isValid()); test = pa4.atom(); EXPECT_FALSE(a1 == test); EXPECT_TRUE(a4 == test); EXPECT_TRUE(a2 != test); EXPECT_EQ(test.atomicNumber(), 8); } TEST_F(MoleculeTest, persistentAtomRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a2, 1); molecule.addBond(a1, a3, 2); Molecule::PersistentAtomType pa1(a1); Molecule::PersistentAtomType pa2(&molecule, molecule.atomUniqueId(a2)); molecule.removeAtom(pa2.atom()); Atom a4 = molecule.addAtom(8); molecule.addBond(a1, a4, 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects from their persistent atom containers. Atom test = pa1.atom(); EXPECT_TRUE(a1 == test); test = pa2.atom(); EXPECT_FALSE(test.isValid()); test = molecule.addAtom(8, pa2.uniqueIdentifier()); EXPECT_TRUE(test.isValid()); EXPECT_TRUE(pa2.isValid()); } TEST_F(MoleculeTest, uniqueBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Index uid[5]; for (int i = 0; i < 5; ++i) uid[i] = molecule.bondUniqueId(b[i]); EXPECT_EQ(molecule.bondByUniqueId(uid[0]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[1]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[2]).order(), 3); EXPECT_EQ(molecule.bondByUniqueId(uid[3]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[4]).order(), 1); molecule.removeBond(b[2]); EXPECT_EQ(molecule.bondByUniqueId(uid[0]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[1]).order(), 2); EXPECT_TRUE(molecule.bondByUniqueId(uid[4]).isValid()); EXPECT_FALSE(molecule.bondByUniqueId(uid[2]).isValid()); EXPECT_EQ(molecule.bondByUniqueId(uid[3]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[4]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[3]), b[3]); } TEST_F(MoleculeTest, uniqueBondRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Index uid[5]; for (int i = 0; i < 5; ++i) uid[i] = molecule.bondUniqueId(b[i]); molecule.removeBond(b[2]); EXPECT_EQ(molecule.bondByUniqueId(uid[0]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[1]).order(), 2); EXPECT_TRUE(molecule.bondByUniqueId(uid[4]).isValid()); EXPECT_FALSE(molecule.bondByUniqueId(uid[2]).isValid()); EXPECT_EQ(molecule.bondByUniqueId(uid[3]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[4]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[3]), b[3]); molecule.addBond(a1, a4, 3, uid[2]); EXPECT_TRUE(molecule.bondByUniqueId(uid[2]).isValid()); EXPECT_EQ(molecule.bondByUniqueId(uid[2]).order(), 3); } TEST_F(MoleculeTest, atomCount) { Molecule mol; mol.addAtom(8); mol.addAtom(1); mol.addAtom(1); // Check the total count, and the counts of specific elements. EXPECT_EQ(mol.atomCount(), 3); EXPECT_EQ(mol.atomCount(1), 2); EXPECT_EQ(mol.atomCount(8), 1); EXPECT_EQ(mol.atomCount(42), 0); } TEST_F(MoleculeTest, mass) { Molecule mol; EXPECT_DOUBLE_EQ(mol.mass(), 0.0); Atom a = mol.addAtom(8); mol.addAtom(1); mol.addAtom(1); double expectedWater = Avogadro::Core::Elements::mass(8) + 2.0 * Avogadro::Core::Elements::mass(1); EXPECT_DOUBLE_EQ(mol.mass(), expectedWater); a.setAtomicNumber(9); double expectedFH2 = Avogadro::Core::Elements::mass(9) + 2.0 * Avogadro::Core::Elements::mass(1); EXPECT_DOUBLE_EQ(mol.mass(), expectedFH2); } TEST_F(MoleculeTest, centerOfGeometry) { Molecule mol; Avogadro::Vector3 center = mol.centerOfGeometry(); Atom a8 = mol.addAtom(8); mol.setAtomPosition3d(a8.index(), Avogadro::Vector3(0.0, 0.0, 0.0)); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 0.0); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); Atom a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(1.0, 0.0, 0.0)); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 0.5); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 1.0, -1.0)); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 1. / 3.); EXPECT_DOUBLE_EQ(center.y(), 1. / 3.); EXPECT_DOUBLE_EQ(center.z(), -1. / 3.); a8.setAtomicNumber(9); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 1. / 3.); EXPECT_DOUBLE_EQ(center.y(), 1. / 3.); EXPECT_DOUBLE_EQ(center.z(), -1. / 3.); } TEST_F(MoleculeTest, centerOfMass) { Molecule mol; Avogadro::Vector3 center = mol.centerOfMass(); Atom a8 = mol.addAtom(8); mol.setAtomPosition3d(a8.index(), Avogadro::Vector3(0.0, 0.0, 0.0)); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), 0.0); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); Atom a = mol.addAtom(2); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(2.0, 0.0, 0.0)); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), (2.0 * Avogadro::Core::Elements::mass(2)) / mol.mass()); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); a = mol.addAtom(3); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(1.0, 3.0, -4.0)); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), (2.0 * Avogadro::Core::Elements::mass(2) + 1.0 * Avogadro::Core::Elements::mass(3)) / mol.mass()); EXPECT_DOUBLE_EQ(center.y(), (3.0 * Avogadro::Core::Elements::mass(3)) / mol.mass()); EXPECT_DOUBLE_EQ(center.z(), (-4.0 * Avogadro::Core::Elements::mass(3)) / mol.mass()); a8.setAtomicNumber(9); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), (2.0 * Avogadro::Core::Elements::mass(2) + 1.0 * Avogadro::Core::Elements::mass(3)) / mol.mass()); EXPECT_DOUBLE_EQ(center.y(), (3.0 * Avogadro::Core::Elements::mass(3)) / mol.mass()); EXPECT_DOUBLE_EQ(center.z(), (-4.0 * Avogadro::Core::Elements::mass(3)) / mol.mass()); } TEST_F(MoleculeTest, radius) { Molecule mol; EXPECT_DOUBLE_EQ(mol.radius(), 0.0); Atom a = mol.addAtom(8); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 0.0, 0.0)); EXPECT_DOUBLE_EQ(mol.radius(), 0.0); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(2.0, 0.0, -1.0)); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(1.0, 3.0, -2.0)); EXPECT_DOUBLE_EQ(mol.radius(), sqrt(3.)); } TEST_F(MoleculeTest, bestFitPlane) { Array coords; coords.push_back(Avogadro::Vector3(0.0, 1.0, 1.0)); coords.push_back(Avogadro::Vector3(0.0, 1.0, -1.0)); coords.push_back(Avogadro::Vector3(0.0, -1.0, 1.0)); coords.push_back(Avogadro::Vector3(0.0, -1.0, -1.0)); std::pair bestFitPlane = Molecule::bestFitPlane(coords); EXPECT_DOUBLE_EQ(bestFitPlane.first.x(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.y(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.z(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.x(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.y(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.z(), 0.0); coords.clear(); coords.push_back(Avogadro::Vector3(3.0, 0.0, 0.0)); coords.push_back(Avogadro::Vector3(0.0, 3.0, 0.0)); coords.push_back(Avogadro::Vector3(0.0, 0.0, 3.0)); bestFitPlane = Molecule::bestFitPlane(coords); EXPECT_DOUBLE_EQ(bestFitPlane.first.x(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.y(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.z(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.x(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.y(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.z(), -sqrt(3.) / 3.); Molecule mol; Atom a = mol.addAtom(8); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(3.0, 0.0, 0.0)); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 3.0, 0.0)); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 0.0, 3.0)); bestFitPlane = mol.bestFitPlane(); EXPECT_DOUBLE_EQ(bestFitPlane.first.x(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.y(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.z(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.x(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.y(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.z(), -sqrt(3.) / 3.); } TEST_F(MoleculeTest, persistentBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Molecule::PersistentBondType pbond[5]; for (int i = 0; i < 4; ++i) pbond[i].set(b[i]); pbond[4].set(&molecule, molecule.bondUniqueId(b[4])); EXPECT_EQ(pbond[0].bond().order(), 1); EXPECT_EQ(pbond[1].bond().order(), 2); EXPECT_EQ(pbond[2].bond().order(), 3); EXPECT_EQ(pbond[3].bond().order(), 2); EXPECT_EQ(pbond[4].bond().order(), 1); molecule.removeBond(b[2]); EXPECT_EQ(pbond[0].bond().order(), 1); EXPECT_EQ(pbond[1].bond().order(), 2); EXPECT_TRUE(pbond[4].isValid()); EXPECT_FALSE(pbond[2].isValid()); EXPECT_EQ(pbond[3].bond().order(), 2); EXPECT_EQ(pbond[4].bond().order(), 1); EXPECT_EQ(pbond[3].bond(), b[3]); } TEST_F(MoleculeTest, persistentBondRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Molecule::PersistentBondType pbond[5]; for (int i = 0; i < 5; ++i) pbond[i].set(&molecule, molecule.bondUniqueId(b[i])); molecule.removeBond(b[2]); EXPECT_EQ(pbond[0].bond().order(), 1); EXPECT_EQ(pbond[1].bond().order(), 2); EXPECT_TRUE(pbond[4].isValid()); EXPECT_FALSE(pbond[2].isValid()); EXPECT_EQ(pbond[3].bond().order(), 2); EXPECT_EQ(pbond[4].bond().order(), 1); EXPECT_EQ(pbond[3].bond(), b[3]); molecule.addBond(a1, a4, 3, pbond[2].uniqueIdentifier()); EXPECT_TRUE(pbond[2].isValid()); EXPECT_EQ(pbond[2].bond().order(), 3); } TEST_F(MoleculeTest, copy) { Molecule copy(m_testMolecule); assertEqual(m_testMolecule, copy); EXPECT_EQ(copy.atomByUniqueId(0).atomicNumber(), 8); EXPECT_EQ(copy.atomByUniqueId(1).atomicNumber(), 1); EXPECT_EQ(copy.atomByUniqueId(2).atomicNumber(), 1); EXPECT_FALSE(copy.atomByUniqueId(3).isValid()); EXPECT_EQ(copy.bondByUniqueId(0).atom1().atomicNumber(), 8); EXPECT_EQ(copy.bondByUniqueId(0).atom2().atomicNumber(), 1); EXPECT_EQ(copy.bondByUniqueId(1).atom1().atomicNumber(), 8); EXPECT_EQ(copy.bondByUniqueId(1).atom2().atomicNumber(), 1); EXPECT_FALSE(copy.bondByUniqueId(2).isValid()); } TEST_F(MoleculeTest, assignment) { Molecule assign; assign = m_testMolecule; assertEqual(m_testMolecule, assign); EXPECT_EQ(assign.atomByUniqueId(0).atomicNumber(), 8); EXPECT_EQ(assign.atomByUniqueId(1).atomicNumber(), 1); EXPECT_EQ(assign.atomByUniqueId(2).atomicNumber(), 1); EXPECT_FALSE(assign.atomByUniqueId(3).isValid()); EXPECT_EQ(assign.bondByUniqueId(0).atom1().atomicNumber(), 8); EXPECT_EQ(assign.bondByUniqueId(0).atom2().atomicNumber(), 1); EXPECT_EQ(assign.bondByUniqueId(1).atom1().atomicNumber(), 8); EXPECT_EQ(assign.bondByUniqueId(1).atom2().atomicNumber(), 1); EXPECT_FALSE(assign.bondByUniqueId(2).isValid()); } TEST_F(MoleculeTest, baseAssignment) { // Create a base molecule Avogadro::Core::Molecule baseMolecule; Atom o1 = baseMolecule.addAtom(8); Atom h2 = baseMolecule.addAtom(1); Atom h3 = baseMolecule.addAtom(1); Bond b[2]; b[0] = baseMolecule.addBond(o1, h2, 1); b[1] = baseMolecule.addBond(o1, h3, 2); o1.setPosition3d(Avogadro::Vector3(0, 0, 0)); h2.setPosition3d(Avogadro::Vector3(0.6, -0.5, 0)); h3.setPosition3d(Avogadro::Vector3(-0.6, -0.5, 0)); o1.setPosition2d(Avogadro::Vector2(0, 0)); h2.setPosition2d(Avogadro::Vector2(0.6, -0.5)); h3.setPosition2d(Avogadro::Vector2(-0.6, -0.5)); // Add some data Avogadro::Core::VariantMap data; data.setValue("test", Avogadro::Core::Variant("test")); baseMolecule.setDataMap(data); Mesh* mesh = baseMolecule.addMesh(); Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Avogadro::Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); mesh->setColors(colors); mesh->setNormals(normals); mesh->setVertices(vertices); mesh->setIsoValue(1.2f); mesh->setName("testmesh"); mesh->setOtherMesh(1); mesh->setStable(false); Avogadro::QtGui::Molecule qtMolecule; qtMolecule.addAtom(6); Atom a1 = qtMolecule.addAtom(4); Atom a2 = qtMolecule.addAtom(5); qtMolecule.addBond(a1, a2); qtMolecule = baseMolecule; assertEqual(baseMolecule, qtMolecule); // Check the ids have reset EXPECT_EQ(qtMolecule.atomByUniqueId(0).atomicNumber(), o1.atomicNumber()); EXPECT_EQ(qtMolecule.atomByUniqueId(1).atomicNumber(), h2.atomicNumber()); EXPECT_EQ(qtMolecule.atomByUniqueId(2).atomicNumber(), h3.atomicNumber()); EXPECT_FALSE(qtMolecule.atomByUniqueId(3).isValid()); EXPECT_EQ(qtMolecule.bondByUniqueId(0).atom1().atomicNumber(), b[0].atom1().atomicNumber()); EXPECT_EQ(qtMolecule.bondByUniqueId(0).atom2().atomicNumber(), b[0].atom2().atomicNumber()); EXPECT_EQ(qtMolecule.bondByUniqueId(1).atom1().atomicNumber(), b[1].atom1().atomicNumber()); EXPECT_EQ(qtMolecule.bondByUniqueId(1).atom2().atomicNumber(), b[1].atom2().atomicNumber()); EXPECT_FALSE(qtMolecule.bondByUniqueId(2).isValid()); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/molequeuequeuelistmodeltest.cpp000066400000000000000000000105711516317240700303600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::MoleQueue::MoleQueueQueueListModel; using namespace std::string_literals; // Allow access to protected members (like ctor, setQueueList) class MoleQueueQueueListModelTestBridge { private: MoleQueueQueueListModel m_model; public: MoleQueueQueueListModel& model() { return m_model; } void setQueueList(QList queueList, QList programList) { m_model.setQueueList(queueList, programList); } }; namespace { // Populate the model with a testing set of queues and programs. The queues and // programs arguments will be overwritten by the data set in the model. // Queues are named "Queue M", where M is in the range (0, numQueues]. // Programs are named "QMPN", where M is the queue id, and N is the program id. // The number of programs is determined by N = ((M+3) * (M+2)) % 5 + 2. void populateModel(MoleQueueQueueListModelTestBridge& model, int numQueues, QStringList& queues, QList& programs) { queues.clear(); programs.clear(); for (int queueId = 1; queueId <= numQueues; ++queueId) { queues.append(QString("Queue %1").arg(queueId)); programs.append(QStringList()); QStringList& programList = programs.back(); const int numPrograms = ((queueId + 3) * (queueId + 2)) % 5 + 2; for (int programId = 1; programId <= numPrograms; ++programId) programList.append(QString("Q%1P%2").arg(queueId).arg(programId)); } model.setQueueList(queues, programs); } } // namespace TEST(MoleQueueQueueListModelTest, setQueues) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); EXPECT_EQ(10, model.queues().size()); EXPECT_EQ(refQueues, model.queues()); QListIterator queueIter(refQueues); QListIterator programIter(refPrograms); while (queueIter.hasNext() && programIter.hasNext()) EXPECT_EQ(programIter.next(), model.programs(queueIter.next())); EXPECT_FALSE(programIter.hasNext() || queueIter.hasNext()) << "queue/program size mismatch."; } TEST(MoleQueueQueueListModelTest, findQueueIndices) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); QModelIndexList matches = model.findQueueIndices("Queue 7"); EXPECT_EQ(1, matches.size()); EXPECT_EQ( model.data(matches.front(), Qt::DisplayRole).toString().toStdString(), "Queue 7"s); } TEST(MoleQueueQueueListModelTest, findProgramIndices) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); QModelIndexList matches = model.findProgramIndices("Q7P2"); EXPECT_EQ(1, matches.size()); EXPECT_EQ( model.data(matches.front(), Qt::DisplayRole).toString().toStdString(), "Q7P2"s); // All 10 queues should have a program #2: matches = model.findProgramIndices("P2"); EXPECT_EQ(10, matches.size()); // Should match programs from queue 1 and 10: matches = model.findProgramIndices("P2", "Queue 1"); EXPECT_EQ(2, matches.size()); // nothing should match this matches = model.findProgramIndices("No match"); EXPECT_EQ(0, matches.size()); } TEST(MoleQueueQueueListModelTest, lookupProgram) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); QModelIndexList matches = model.findProgramIndices("Q7P2"); EXPECT_EQ(1, matches.size()); QString queue; QString program; EXPECT_TRUE(model.lookupProgram(matches.front(), queue, program)); EXPECT_EQ("Queue 7"s, queue.toStdString()); EXPECT_EQ("Q7P2"s, program.toStdString()); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/packagemanagertest.cpp000066400000000000000000000560001516317240700263200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::PackageManager; namespace { void ensureSettingsContext() { if (QCoreApplication::organizationName().isEmpty()) QCoreApplication::setOrganizationName(QStringLiteral("OpenChemistry")); if (QCoreApplication::applicationName().isEmpty()) QCoreApplication::setApplicationName(QStringLiteral("AvogadroLibsTests")); } QString writeTextFile(const QString& path, const QByteArray& content) { QFile file(path); if (!file.open(QIODevice::WriteOnly | QIODevice::Text)) return {}; if (file.write(content) != content.size()) return {}; return path; } } // namespace class PackageManagerTest : public testing::Test { protected: void SetUp() override { ensureSettingsContext(); // Write a minimal pyproject.toml into a temp directory m_tmpDir.reset(new QTemporaryDir); ASSERT_TRUE(m_tmpDir->isValid()); m_packageDir = m_tmpDir->path(); QFile f(m_packageDir + "/pyproject.toml"); ASSERT_TRUE(f.open(QIODevice::WriteOnly | QIODevice::Text)); f.write(sampleToml()); f.close(); // Clear any previous test data from QSettings QSettings settings; settings.beginGroup("plugins"); settings.remove("test-plugin"); settings.endGroup(); settings.sync(); } void TearDown() override { // Clean up QSettings QSettings settings; settings.beginGroup("plugins"); settings.remove("test-plugin"); settings.endGroup(); settings.sync(); } static QByteArray sampleToml() { return R"( [project] name = "test-plugin" version = "1.2.3" description = "A test plugin" [project.scripts] avogadro-test-plugin = "test_plugin:main" [build-system] build-backend = "hatchling.build" requires = ["hatchling"] [tool.avogadro] minimum-avogadro-version = "1.103" [[tool.avogadro.menu-commands]] identifier = "do-something" input-format = "cjson" path.menu = "Extensions" path.entry = { label = "Do Something", priority = 200 } [[tool.avogadro.menu-commands]] identifier = "do-other" input-format = "cjson" path.menu = "Build" path.entry = { label = "Do Other", priority = 100 } [[tool.avogadro.electrostatic-models]] identifier = "test_charges" model-name = "TestCharges" input-format = "sdf" support.charges = true support.potentials = false support.elements = "1-18" [[tool.avogadro.energy-models]] identifier = "test_energy" model-name = "TestEnergy" input-format = "cjson" support.gradients = true support.elements = "1-86" [[tool.avogadro.file-formats]] identifier = "tst" format-name = "TST format" file-extensions = ["tst", "tst2"] support.read = true support.write = false output-format = "cjson" [[tool.avogadro.input-generators]] identifier = "test_input" program-name = "Test Input Gen" input-format = "cjson" )"; } std::unique_ptr m_tmpDir; QString m_packageDir; }; TEST_F(PackageManagerTest, featureTypes) { QStringList types = PackageManager::featureTypes(); EXPECT_EQ(types.size(), 5); EXPECT_TRUE(types.contains("menu-commands")); EXPECT_TRUE(types.contains("electrostatic-models")); EXPECT_TRUE(types.contains("energy-models")); EXPECT_TRUE(types.contains("file-formats")); EXPECT_TRUE(types.contains("input-generators")); } TEST_F(PackageManagerTest, registerPackageSuccess) { auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(spy.isValid()); bool ok = pm->registerPackage(m_packageDir); EXPECT_TRUE(ok); // 2 menu-commands + 1 charges + 1 energy + 1 file-format + 1 input-gen = 6 EXPECT_EQ(spy.count(), 6); } TEST_F(PackageManagerTest, registerPackageEmitsCorrectSignals) { auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); pm->registerPackage(m_packageDir); // Collect all emitted (type, identifier) pairs QMap featuresByType; for (int i = 0; i < spy.count(); ++i) { QList args = spy.at(i); QString type = args.at(0).toString(); QString identifier = args.at(3).toString(); featuresByType[type].append(identifier); } EXPECT_EQ(featuresByType["menu-commands"].size(), 2); EXPECT_TRUE(featuresByType["menu-commands"].contains("do-something")); EXPECT_TRUE(featuresByType["menu-commands"].contains("do-other")); EXPECT_EQ(featuresByType["electrostatic-models"].size(), 1); EXPECT_TRUE(featuresByType["electrostatic-models"].contains("test_charges")); EXPECT_EQ(featuresByType["energy-models"].size(), 1); EXPECT_TRUE(featuresByType["energy-models"].contains("test_energy")); EXPECT_EQ(featuresByType["file-formats"].size(), 1); EXPECT_TRUE(featuresByType["file-formats"].contains("tst")); EXPECT_EQ(featuresByType["input-generators"].size(), 1); EXPECT_TRUE(featuresByType["input-generators"].contains("test_input")); } TEST_F(PackageManagerTest, signalCarriesCorrectMetadata) { auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); pm->registerPackage(m_packageDir); // Find the "do-something" menu-command signal for (int i = 0; i < spy.count(); ++i) { QList args = spy.at(i); if (args.at(3).toString() == "do-something") { EXPECT_EQ(args.at(0).toString(), "menu-commands"); EXPECT_EQ(args.at(1).toString(), QDir(m_packageDir).absolutePath()); EXPECT_EQ(args.at(2).toString(), "avogadro-test-plugin"); QVariantMap meta = args.at(4).toMap(); EXPECT_EQ(meta["input-format"].toString(), "cjson"); // Nested table: path.menu QVariantMap path = meta["path"].toMap(); EXPECT_EQ(path["menu"].toString(), "Extensions"); QVariantMap entry = path["entry"].toMap(); EXPECT_EQ(entry["label"].toString(), "Do Something"); EXPECT_EQ(entry["priority"].toLongLong(), 200); return; } } FAIL() << "did not find 'do-something' feature in signals"; } TEST_F(PackageManagerTest, signalCarriesArrayMetadata) { auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); pm->registerPackage(m_packageDir); // Find the "tst" file-format signal for (int i = 0; i < spy.count(); ++i) { QList args = spy.at(i); if (args.at(3).toString() == "tst") { QVariantMap meta = args.at(4).toMap(); QVariantList exts = meta["file-extensions"].toList(); EXPECT_EQ(exts.size(), 2); EXPECT_EQ(exts.at(0).toString(), "tst"); EXPECT_EQ(exts.at(1).toString(), "tst2"); QVariantMap support = meta["support"].toMap(); EXPECT_TRUE(support["read"].toBool()); EXPECT_FALSE(support["write"].toBool()); return; } } FAIL() << "did not find 'tst' feature in signals"; } TEST_F(PackageManagerTest, packageInfoAfterRegister) { auto* pm = PackageManager::instance(); pm->registerPackage(m_packageDir); auto info = pm->packageInfo("test-plugin"); EXPECT_EQ(info.name, "test-plugin"); EXPECT_EQ(info.version, "1.2.3"); EXPECT_EQ(info.description, "A test plugin"); EXPECT_EQ(info.command, "avogadro-test-plugin"); EXPECT_EQ(info.directory, QDir(m_packageDir).absolutePath()); } TEST_F(PackageManagerTest, registeredPackagesList) { auto* pm = PackageManager::instance(); pm->registerPackage(m_packageDir); QStringList packages = pm->registeredPackages(); EXPECT_TRUE(packages.contains("test-plugin")); } TEST_F(PackageManagerTest, loadRegisteredPackagesReplaysSignals) { auto* pm = PackageManager::instance(); // Register first (this caches to QSettings) pm->registerPackage(m_packageDir); // Now spy and replay from cache QSignalSpy spy(pm, &PackageManager::featureRegistered); pm->loadRegisteredPackages(); EXPECT_EQ(spy.count(), 6); } TEST_F(PackageManagerTest, loadRegisteredPackagesTypeFilterReplaysOnlyMatches) { auto* pm = PackageManager::instance(); // Register first (this caches to QSettings) pm->registerPackage(m_packageDir); // Replay only electrostatic models from cache. QSignalSpy spy(pm, &PackageManager::featureRegistered); pm->loadRegisteredPackages(QStringLiteral("electrostatic-models")); ASSERT_EQ(spy.count(), 1); const QList args = spy.at(0); ASSERT_EQ(args.size(), 5); EXPECT_EQ(args.at(0).toString(), QStringLiteral("electrostatic-models")); EXPECT_EQ(args.at(3).toString(), QStringLiteral("test_charges")); } TEST_F(PackageManagerTest, unregisterPackage) { auto* pm = PackageManager::instance(); pm->registerPackage(m_packageDir); QSignalSpy removedSpy(pm, &PackageManager::featureRemoved); bool ok = pm->unregisterPackage("test-plugin"); EXPECT_TRUE(ok); // Should have emitted featureRemoved for all 6 features EXPECT_EQ(removedSpy.count(), 6); for (int i = 0; i < removedSpy.count(); ++i) { const QList args = removedSpy.at(i); ASSERT_EQ(args.size(), 4); EXPECT_FALSE(args.at(0).toString().isEmpty()); // type EXPECT_EQ(args.at(1).toString(), QDir(m_packageDir).absolutePath()); EXPECT_EQ(args.at(2).toString(), "avogadro-test-plugin"); EXPECT_FALSE(args.at(3).toString().isEmpty()); // identifier } // Package should no longer be in the list EXPECT_FALSE(pm->registeredPackages().contains("test-plugin")); } TEST_F(PackageManagerTest, registerInvalidDirFails) { auto* pm = PackageManager::instance(); bool ok = pm->registerPackage("/nonexistent/path"); EXPECT_FALSE(ok); } TEST_F(PackageManagerTest, registerDirWithoutTomlFails) { QTemporaryDir emptyDir; ASSERT_TRUE(emptyDir.isValid()); auto* pm = PackageManager::instance(); bool ok = pm->registerPackage(emptyDir.path()); EXPECT_FALSE(ok); } TEST_F(PackageManagerTest, unregisterNonexistentFails) { auto* pm = PackageManager::instance(); bool ok = pm->unregisterPackage("no-such-package"); EXPECT_FALSE(ok); } TEST_F(PackageManagerTest, loadOptionsFromFileJson) { const QString path = QDir(m_packageDir).filePath("user-options.json"); ASSERT_FALSE( writeTextFile(path, R"({"alpha": 1, "name": "demo"})").isEmpty()); const QJsonObject options = PackageManager::loadOptionsFromFile(path); ASSERT_FALSE(options.isEmpty()); EXPECT_EQ(options.value("alpha").toInt(), 1); EXPECT_EQ(options.value("name").toString(), "demo"); } TEST_F(PackageManagerTest, loadOptionsFromFileToml) { const QString path = QDir(m_packageDir).filePath("user-options.toml"); ASSERT_FALSE(writeTextFile(path, "alpha = 2\nname = \"demo\"\n").isEmpty()); const QJsonObject options = PackageManager::loadOptionsFromFile(path); ASSERT_FALSE(options.isEmpty()); EXPECT_EQ(options.value("alpha").toInt(), 2); EXPECT_EQ(options.value("name").toString(), "demo"); } TEST_F(PackageManagerTest, loadOptionsFromFileMissingReturnsEmpty) { const QString path = QDir(m_packageDir).filePath("does-not-exist.json"); const QJsonObject options = PackageManager::loadOptionsFromFile(path); EXPECT_TRUE(options.isEmpty()); } TEST_F(PackageManagerTest, loadOptionsFromFileInvalidJsonReturnsEmpty) { const QString path = QDir(m_packageDir).filePath("invalid.json"); ASSERT_FALSE(writeTextFile(path, R"({"broken": )").isEmpty()); const QJsonObject options = PackageManager::loadOptionsFromFile(path); EXPECT_TRUE(options.isEmpty()); } TEST_F(PackageManagerTest, loadOptionsFromFileInvalidTomlReturnsEmpty) { const QString path = QDir(m_packageDir).filePath("invalid.toml"); ASSERT_FALSE(writeTextFile(path, "broken =\n").isEmpty()); const QJsonObject options = PackageManager::loadOptionsFromFile(path); EXPECT_TRUE(options.isEmpty()); } TEST_F(PackageManagerTest, mergeOptionsFromFileOverridesExistingKeys) { const QString path = QDir(m_packageDir).filePath("merge.json"); ASSERT_FALSE( writeTextFile(path, R"({"alpha": 5, "beta": "added"})").isEmpty()); QJsonObject options; options.insert("alpha", 1); options.insert("keep", true); PackageManager::mergeOptionsFromFile(options, path); EXPECT_EQ(options.value("alpha").toInt(), 5); EXPECT_EQ(options.value("beta").toString(), "added"); EXPECT_TRUE(options.value("keep").toBool()); } // --------------------------------------------------------------------------- // TOML parsing edge-case tests // --------------------------------------------------------------------------- // Helper: write a pyproject.toml with custom [tool.avogadro] content, // keeping the required [project] and [project.scripts] boilerplate. static QString writeToml(QTemporaryDir& dir, const QByteArray& avogadroBlock) { ensureSettingsContext(); QByteArray toml = R"( [project] name = "parse-test" version = "0.1.0" description = "parsing tests" [project.scripts] avogadro-parse-test = "parse_test:main" [tool.avogadro] minimum-avogadro-version = "1.103" )" + avogadroBlock; QFile f(dir.path() + "/pyproject.toml"); if (!f.open(QIODevice::WriteOnly | QIODevice::Text)) return {}; f.write(toml); f.close(); return dir.path(); } // Find the first signal with the given identifier and return its metadata. static QVariantMap findFeatureMetadata(const QSignalSpy& spy, const QString& identifier) { for (int i = 0; i < spy.count(); ++i) { if (spy.at(i).at(3).toString() == identifier) return spy.at(i).at(4).toMap(); } return {}; } TEST(TomlParsing, stringValues) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "str-test" simple = "hello world" empty = "" unicode = "café ☕" )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); QVariantMap meta = findFeatureMetadata(spy, "str-test"); ASSERT_FALSE(meta.isEmpty()); EXPECT_EQ(meta["simple"].toString(), "hello world"); EXPECT_EQ(meta["empty"].toString(), ""); EXPECT_EQ(meta["unicode"].toString(), QString::fromUtf8("café ☕")); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, integerValues) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "int-test" positive = 42 zero = 0 negative = -7 large = 2147483648 )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); QVariantMap meta = findFeatureMetadata(spy, "int-test"); ASSERT_FALSE(meta.isEmpty()); EXPECT_EQ(meta["positive"].toLongLong(), 42); EXPECT_EQ(meta["zero"].toLongLong(), 0); EXPECT_EQ(meta["negative"].toLongLong(), -7); EXPECT_EQ(meta["large"].toLongLong(), 2147483648LL); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, floatingPointValues) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "float-test" pi = 3.14159 negative = -0.5 zero = 0.0 )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); QVariantMap meta = findFeatureMetadata(spy, "float-test"); ASSERT_FALSE(meta.isEmpty()); EXPECT_DOUBLE_EQ(meta["pi"].toDouble(), 3.14159); EXPECT_DOUBLE_EQ(meta["negative"].toDouble(), -0.5); EXPECT_DOUBLE_EQ(meta["zero"].toDouble(), 0.0); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, booleanValues) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "bool-test" yes = true no = false )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); QVariantMap meta = findFeatureMetadata(spy, "bool-test"); ASSERT_FALSE(meta.isEmpty()); EXPECT_TRUE(meta["yes"].toBool()); EXPECT_FALSE(meta["no"].toBool()); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, nestedTables) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "nested-test" path.menu = "Extensions" path.submenu.menu = "Demo" path.submenu.priority = 500 path.entry = { label = "Hello", priority = 100 } )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); QVariantMap meta = findFeatureMetadata(spy, "nested-test"); ASSERT_FALSE(meta.isEmpty()); QVariantMap pathMap = meta["path"].toMap(); EXPECT_EQ(pathMap["menu"].toString(), "Extensions"); QVariantMap submenu = pathMap["submenu"].toMap(); EXPECT_EQ(submenu["menu"].toString(), "Demo"); EXPECT_EQ(submenu["priority"].toLongLong(), 500); QVariantMap entry = pathMap["entry"].toMap(); EXPECT_EQ(entry["label"].toString(), "Hello"); EXPECT_EQ(entry["priority"].toLongLong(), 100); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, arrays) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "array-test" string-list = ["alpha", "beta", "gamma"] int-list = [1, 2, 3] mixed-nested = [{ name = "a" }, { name = "b" }] empty-list = [] )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); QVariantMap meta = findFeatureMetadata(spy, "array-test"); ASSERT_FALSE(meta.isEmpty()); QVariantList strings = meta["string-list"].toList(); ASSERT_EQ(strings.size(), 3); EXPECT_EQ(strings[0].toString(), "alpha"); EXPECT_EQ(strings[1].toString(), "beta"); EXPECT_EQ(strings[2].toString(), "gamma"); QVariantList ints = meta["int-list"].toList(); ASSERT_EQ(ints.size(), 3); EXPECT_EQ(ints[0].toLongLong(), 1); EXPECT_EQ(ints[1].toLongLong(), 2); EXPECT_EQ(ints[2].toLongLong(), 3); QVariantList nested = meta["mixed-nested"].toList(); ASSERT_EQ(nested.size(), 2); EXPECT_EQ(nested[0].toMap()["name"].toString(), "a"); EXPECT_EQ(nested[1].toMap()["name"].toString(), "b"); QVariantList empty = meta["empty-list"].toList(); EXPECT_EQ(empty.size(), 0); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, multipleFeatureTypes) { // Verify that a single package can register features across different types // and each gets the correct type string. QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "cmd1" [[tool.avogadro.electrostatic-models]] identifier = "charge1" model-name = "C1" [[tool.avogadro.energy-models]] identifier = "energy1" model-name = "E1" [[tool.avogadro.file-formats]] identifier = "fmt1" format-name = "F1" [[tool.avogadro.input-generators]] identifier = "gen1" program-name = "G1" )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); EXPECT_EQ(spy.count(), 5); // Check each signal got the right type QMap typeForId; for (int i = 0; i < spy.count(); ++i) { typeForId[spy.at(i).at(3).toString()] = spy.at(i).at(0).toString(); } EXPECT_EQ(typeForId["cmd1"], "menu-commands"); EXPECT_EQ(typeForId["charge1"], "electrostatic-models"); EXPECT_EQ(typeForId["energy1"], "energy-models"); EXPECT_EQ(typeForId["fmt1"], "file-formats"); EXPECT_EQ(typeForId["gen1"], "input-generators"); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, missingProjectTableFails) { ensureSettingsContext(); QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QFile f(dir.path() + "/pyproject.toml"); ASSERT_TRUE(f.open(QIODevice::WriteOnly | QIODevice::Text)); f.write(R"( [tool.avogadro] minimum-avogadro-version = "1.103" )"); f.close(); auto* pm = PackageManager::instance(); EXPECT_FALSE(pm->registerPackage(dir.path())); } TEST(TomlParsing, missingScriptsEntryFails) { ensureSettingsContext(); QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QFile f(dir.path() + "/pyproject.toml"); ASSERT_TRUE(f.open(QIODevice::WriteOnly | QIODevice::Text)); f.write(R"( [project] name = "no-scripts" version = "0.1.0" [project.scripts] not-avogadro = "foo:bar" [tool.avogadro] minimum-avogadro-version = "1.103" )"); f.close(); auto* pm = PackageManager::instance(); EXPECT_FALSE(pm->registerPackage(dir.path())); } TEST(TomlParsing, missingToolAvogadroFails) { ensureSettingsContext(); QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QFile f(dir.path() + "/pyproject.toml"); ASSERT_TRUE(f.open(QIODevice::WriteOnly | QIODevice::Text)); f.write(R"( [project] name = "no-tool" version = "0.1.0" [project.scripts] avogadro-no-tool = "no_tool:main" )"); f.close(); auto* pm = PackageManager::instance(); EXPECT_FALSE(pm->registerPackage(dir.path())); } TEST(TomlParsing, featureWithoutIdentifierSkipped) { QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "good" input-format = "cjson" [[tool.avogadro.menu-commands]] input-format = "cjson" )"); auto* pm = PackageManager::instance(); QSignalSpy spy(pm, &PackageManager::featureRegistered); ASSERT_TRUE(pm->registerPackage(path)); // Only the one with an identifier should be emitted EXPECT_EQ(spy.count(), 1); EXPECT_EQ(spy.at(0).at(3).toString(), "good"); pm->unregisterPackage("parse-test"); } TEST(TomlParsing, invalidTomlSyntaxFails) { ensureSettingsContext(); QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QFile f(dir.path() + "/pyproject.toml"); ASSERT_TRUE(f.open(QIODevice::WriteOnly | QIODevice::Text)); f.write("this is not valid [[[toml syntax"); f.close(); auto* pm = PackageManager::instance(); EXPECT_FALSE(pm->registerPackage(dir.path())); } TEST(TomlParsing, cacheRoundTrip) { // Verify that data survives a register → load-from-cache round-trip, // including nested tables, arrays, and all scalar types. QTemporaryDir dir; ASSERT_TRUE(dir.isValid()); QString path = writeToml(dir, R"( [[tool.avogadro.menu-commands]] identifier = "roundtrip" str = "hello" num = 42 pi = 3.14 flag = true tags = ["a", "b"] nested.key = "val" )"); auto* pm = PackageManager::instance(); // Register (writes to QSettings) pm->registerPackage(path); // Replay from cache QSignalSpy spy(pm, &PackageManager::featureRegistered); pm->loadRegisteredPackages(); QVariantMap meta = findFeatureMetadata(spy, "roundtrip"); ASSERT_FALSE(meta.isEmpty()); EXPECT_EQ(meta["str"].toString(), "hello"); // Note: JSON round-trip converts integers to double EXPECT_EQ(meta["num"].toInt(), 42); EXPECT_DOUBLE_EQ(meta["pi"].toDouble(), 3.14); EXPECT_TRUE(meta["flag"].toBool()); QVariantList tags = meta["tags"].toList(); ASSERT_EQ(tags.size(), 2); EXPECT_EQ(tags[0].toString(), "a"); EXPECT_EQ(tags[1].toString(), "b"); QVariantMap nested = meta["nested"].toMap(); EXPECT_EQ(nested["key"].toString(), "val"); pm->unregisterPackage("parse-test"); } OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/qtguitests.h.in000066400000000000000000000002061516317240700247550ustar00rootroot00000000000000#ifndef AVOGADRO_QTGUITESTS_H #define AVOGADRO_QTGUITESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_QTGUITESTS_H OpenChemistry-avogadrolibs-ceb949f/tests/qtgui/rwmoleculetest.cpp000066400000000000000000000601661516317240700255600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Index; using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWMolecule; // TODO move this to an algorithms header #include #include #include #include using namespace std::string_literals; template std::string formula(const MoleculeType& mol) { // Adapted from chemkit: // A map of atomic symbols to their quantity. std::map composition; for (Array::const_iterator it = mol.atomicNumbers().begin(), itEnd = mol.atomicNumbers().end(); it != itEnd; ++it) { composition[*it]++; } std::stringstream result; std::map::iterator iter; // Carbons first iter = composition.find(6); if (iter != composition.end()) { result << "C"; if (iter->second > 1) result << iter->second; composition.erase(iter); // If carbon is present, hydrogens are next. iter = composition.find(1); if (iter != composition.end()) { result << "H"; if (iter->second > 1) result << iter->second; composition.erase(iter); } } // The rest: iter = composition.begin(); while (iter != composition.end()) { result << Avogadro::Core::Elements::symbol(iter->first); if (iter->second > 1) result << iter->second; ++iter; } return result.str(); } TEST(RWMoleculeTest, addAtom) { Molecule m; RWMolecule mol(m); mol.addAtom(1); // H mol.addAtom(5); // B mol.addAtom(6); // C mol.addAtom(7); // N mol.addAtom(8); // O EXPECT_EQ(5, mol.atomCount()); EXPECT_EQ("CHBNO"s, formula(mol)); mol.undoStack().undo(); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ("CHBN"s, formula(mol)); mol.undoStack().undo(); EXPECT_EQ(3, mol.atomCount()); EXPECT_EQ("CHB"s, formula(mol)); mol.undoStack().undo(); EXPECT_EQ(2, mol.atomCount()); EXPECT_EQ("HB"s, formula(mol)); mol.undoStack().undo(); EXPECT_EQ(1, mol.atomCount()); EXPECT_EQ("H"s, formula(mol)); mol.undoStack().undo(); EXPECT_EQ(0, mol.atomCount()); EXPECT_FALSE(mol.undoStack().canUndo()); mol.undoStack().redo(); EXPECT_EQ(1, mol.atomCount()); EXPECT_EQ("H"s, formula(mol)); mol.undoStack().redo(); EXPECT_EQ(2, mol.atomCount()); EXPECT_EQ("HB"s, formula(mol)); mol.undoStack().redo(); EXPECT_EQ(3, mol.atomCount()); EXPECT_EQ("CHB"s, formula(mol)); mol.undoStack().redo(); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ("CHBN"s, formula(mol)); mol.undoStack().redo(); EXPECT_EQ(5, mol.atomCount()); EXPECT_EQ("CHBNO"s, formula(mol)); EXPECT_FALSE(mol.undoStack().canRedo()); // Are the uids what we expect? for (Index i = 0; i < 5; ++i) EXPECT_EQ(i, mol.atomUniqueId(i)); } TEST(RWMoleculeTest, removeAtom) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; Atom a0 = mol.addAtom(1); // H Atom a1 = mol.addAtom(2); // He Atom a2 = mol.addAtom(3); // Li Atom a3 = mol.addAtom(4); // Be Atom a4 = mol.addAtom(5); // B const Vector3 pos(Real(1), Real(2), Real(3)); mol.setAtomPosition3d(0, pos); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ("HHeLiBeB"s, formula(mol)); // Add some bonds to ensure that they are properly added/removed when a bonded // atom is removed. ASSERT_TRUE(mol.addBond(a0, a1, 0).isValid()); ASSERT_TRUE(mol.addBond(a1, a2, 1).isValid()); ASSERT_TRUE(mol.addBond(a2, a3, 2).isValid()); ASSERT_TRUE(mol.addBond(a3, a4, 3).isValid()); ASSERT_TRUE(mol.addBond(a0, a2, 4).isValid()); ASSERT_TRUE(mol.addBond(a1, a3, 5).isValid()); ASSERT_TRUE(mol.addBond(a2, a4, 6).isValid()); ASSERT_TRUE(mol.addBond(a0, a3, 7).isValid()); ASSERT_TRUE(mol.addBond(a1, a4, 8).isValid()); ASSERT_TRUE(mol.addBond(a0, a4, 9).isValid()); ASSERT_EQ(10, mol.bondCount()); EXPECT_TRUE(mol.removeAtom(2)); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ(6, mol.bondCount()); EXPECT_EQ("HHeBeB"s, formula(mol)); EXPECT_FALSE(mol.atomByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(1).isValid()); EXPECT_FALSE(mol.bondByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(4).isValid()); EXPECT_FALSE(mol.bondByUniqueId(6).isValid()); EXPECT_TRUE(mol.removeAtom(0)); EXPECT_EQ(3, mol.atomCount()); EXPECT_EQ(3, mol.bondCount()); EXPECT_EQ("HeBeB"s, formula(mol)); EXPECT_FALSE(mol.atomByUniqueId(0).isValid()); EXPECT_FALSE(mol.bondByUniqueId(0).isValid()); EXPECT_FALSE(mol.bondByUniqueId(7).isValid()); EXPECT_FALSE(mol.bondByUniqueId(9).isValid()); // atom 0 was the only one with a position, so all positions should be 0,0,0: for (Index i = 0; i < mol.atomCount(); ++i) { EXPECT_EQ(Real(0), mol.atomPosition3d(i).x()) << " for atom index " << i; EXPECT_EQ(Real(0), mol.atomPosition3d(i).y()) << " for atom index " << i; EXPECT_EQ(Real(0), mol.atomPosition3d(i).z()) << " for atom index " << i; } mol.undoStack().undo(); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ(6, mol.bondCount()); EXPECT_EQ("HHeBeB"s, formula(mol)); EXPECT_FALSE(mol.atomByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(1).isValid()); EXPECT_FALSE(mol.bondByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(4).isValid()); EXPECT_FALSE(mol.bondByUniqueId(6).isValid()); EXPECT_TRUE(mol.atomByUniqueId(0).isValid()); EXPECT_TRUE(mol.bondByUniqueId(0).isValid()); EXPECT_TRUE(mol.bondByUniqueId(7).isValid()); EXPECT_TRUE(mol.bondByUniqueId(9).isValid()); EXPECT_EQ(pos.x(), mol.atomPosition3d(0).x()); EXPECT_EQ(pos.y(), mol.atomPosition3d(0).y()); EXPECT_EQ(pos.z(), mol.atomPosition3d(0).z()); mol.undoStack().undo(); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ(10, mol.bondCount()); ASSERT_EQ("HHeLiBeB"s, formula(mol)); for (Index i = 0; i < mol.atomCount(); ++i) { EXPECT_EQ(static_cast(i + 1), mol.atomicNumber(i)); EXPECT_EQ(i, mol.atomUniqueId(i)); } #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 1, 0, 0); VALIDATE_BOND(1, 1, 2, 1, 1); VALIDATE_BOND(2, 2, 3, 2, 2); VALIDATE_BOND(3, 3, 4, 3, 3); VALIDATE_BOND(4, 0, 2, 4, 4); VALIDATE_BOND(5, 1, 3, 5, 5); VALIDATE_BOND(6, 2, 4, 6, 6); VALIDATE_BOND(7, 0, 3, 7, 7); VALIDATE_BOND(8, 1, 4, 8, 8); VALIDATE_BOND(9, 0, 4, 9, 9); #undef VALIDATE_BOND } TEST(RWMoleculeTest, clearAtoms) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; Atom a0 = mol.addAtom(1); // H Atom a1 = mol.addAtom(2); // He Atom a2 = mol.addAtom(3); // Li Atom a3 = mol.addAtom(4); // Be Atom a4 = mol.addAtom(5); // B const Vector3 pos(Real(1), Real(2), Real(3)); mol.setAtomPosition3d(0, pos); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ("HHeLiBeB"s, formula(mol)); // Add some bonds to ensure that they are properly added/removed when a bonded // atom is removed. ASSERT_TRUE(mol.addBond(a0, a1, 0).isValid()); ASSERT_TRUE(mol.addBond(a1, a2, 1).isValid()); ASSERT_TRUE(mol.addBond(a2, a3, 2).isValid()); ASSERT_TRUE(mol.addBond(a3, a4, 3).isValid()); ASSERT_TRUE(mol.addBond(a0, a2, 4).isValid()); ASSERT_TRUE(mol.addBond(a1, a3, 5).isValid()); ASSERT_TRUE(mol.addBond(a2, a4, 6).isValid()); ASSERT_TRUE(mol.addBond(a0, a3, 7).isValid()); ASSERT_TRUE(mol.addBond(a1, a4, 8).isValid()); ASSERT_TRUE(mol.addBond(a0, a4, 9).isValid()); ASSERT_EQ(10, mol.bondCount()); mol.clearAtoms(); EXPECT_EQ(0, mol.atomCount()); EXPECT_EQ(0, mol.bondCount()); mol.undoStack().undo(); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ(10, mol.bondCount()); ASSERT_EQ("HHeLiBeB"s, formula(mol)); for (Index i = 0; i < mol.atomCount(); ++i) { EXPECT_EQ(static_cast(i + 1), mol.atomicNumber(i)); EXPECT_EQ(i, mol.atomUniqueId(i)); } #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) // This is disabled because the pair may come in any order // EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); VALIDATE_BOND(0, 0, 1, 0, 0); VALIDATE_BOND(1, 1, 2, 1, 1); VALIDATE_BOND(2, 2, 3, 2, 2); VALIDATE_BOND(3, 3, 4, 3, 3); VALIDATE_BOND(4, 0, 2, 4, 4); VALIDATE_BOND(5, 1, 3, 5, 5); VALIDATE_BOND(6, 2, 4, 6, 6); VALIDATE_BOND(7, 0, 3, 7, 7); VALIDATE_BOND(8, 1, 4, 8, 8); VALIDATE_BOND(9, 0, 4, 9, 9); #undef VALIDATE_BOND } TEST(RWMoleculeTest, setAtomicNumbers) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); Array orig(mol.atomicNumbers()); Array rep(5); rep[0] = 6; rep[0] = 7; rep[0] = 8; rep[0] = 9; rep[0] = 10; mol.setAtomicNumbers(rep); ASSERT_TRUE(std::equal(mol.atomicNumbers().begin(), mol.atomicNumbers().end(), rep.begin(), rep.end())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(mol.atomicNumbers().begin(), mol.atomicNumbers().end(), orig.begin(), orig.end())); } TEST(RWMoleculeTest, setAtomicNumber) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.setAtomicNumber(0, 6); mol.setAtomicNumber(2, 7); mol.setAtomicNumber(4, 8); EXPECT_EQ(6, mol.atomicNumber(0)); EXPECT_EQ(2, mol.atomicNumber(1)); EXPECT_EQ(7, mol.atomicNumber(2)); EXPECT_EQ(4, mol.atomicNumber(3)); EXPECT_EQ(8, mol.atomicNumber(4)); mol.undoStack().undo(); EXPECT_EQ(5, mol.atomicNumber(4)); mol.undoStack().undo(); EXPECT_EQ(3, mol.atomicNumber(2)); mol.undoStack().undo(); EXPECT_EQ(1, mol.atomicNumber(0)); } TEST(RWMoleculeTest, setAtomPositions3d) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); // These will all be (0, 0, 0) auto oldPositions = mol.atomPositions3d(); mol.undoStack().clear(); Array pos; Real gen = 1; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; mol.setAtomPositions3d(pos); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin(), pos.end())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), oldPositions.begin(), oldPositions.end())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin(), pos.end())); mol.undoStack().undo(); // Test merging for interactive edits: mol.setInteractive(true); mol.setAtomPositions3d(pos); for (Array::iterator it = pos.begin(), itEnd = pos.end(); it != itEnd; ++it) { it->x() += static_cast(pos.size()); it->y() += static_cast(pos.size()); it->z() += static_cast(pos.size()); } mol.setAtomPositions3d(pos); mol.setInteractive(false); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin(), pos.end())); EXPECT_EQ(1, mol.undoStack().count()); mol.undoStack().undo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), oldPositions.begin(), oldPositions.end())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin(), pos.end())); } TEST(RWMoleculeTest, setAtomPosition3d) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.undoStack().clear(); // The positions will not be empty here because they are added when // atoms are added. mol.setAtomPosition3d(0, Vector3(Real(1), Real(2), Real(3))); EXPECT_EQ(mol.atomicNumbers().size(), mol.atomPositions3d().size()); EXPECT_EQ(Real(1), mol.atomPosition3d(0).x()); EXPECT_EQ(Real(2), mol.atomPosition3d(0).y()); EXPECT_EQ(Real(3), mol.atomPosition3d(0).z()); for (Index i = 1; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().undo(); for (Index i = 0; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().redo(); EXPECT_EQ(Real(1), mol.atomPosition3d(0).x()); EXPECT_EQ(Real(2), mol.atomPosition3d(0).y()); EXPECT_EQ(Real(3), mol.atomPosition3d(0).z()); for (Index i = 1; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().undo(); mol.undoStack().clear(); // Test command merging for interactive editing: mol.setInteractive(true); mol.setAtomPosition3d(0, Vector3(Real(1), Real(2), Real(3))); mol.setAtomPosition3d(3, Vector3(Real(4), Real(5), Real(6))); mol.setAtomPosition3d(0, Vector3(Real(7), Real(8), Real(9))); mol.setAtomPosition3d(1, Vector3(Real(6), Real(4), Real(2))); mol.setInteractive(false); Array pos(mol.atomPositions3d()); EXPECT_EQ(Vector3(Real(7), Real(8), Real(9)), pos[0]); EXPECT_EQ(Vector3(Real(6), Real(4), Real(2)), pos[1]); EXPECT_EQ(Vector3::Zero(), pos[2]); EXPECT_EQ(Vector3(Real(4), Real(5), Real(6)), pos[3]); EXPECT_EQ(Vector3::Zero(), pos[4]); EXPECT_EQ(1, mol.undoStack().count()); mol.undoStack().undo(); for (Index i = 1; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().redo(); EXPECT_TRUE(std::equal(pos.begin(), pos.end(), mol.atomPositions3d().begin(), mol.atomPositions3d().end())); } TEST(RWMoleculeTest, addBond) { Molecule m; RWMolecule mol(m); RWMolecule::AtomType a0 = mol.addAtom(1); RWMolecule::AtomType a1 = mol.addAtom(2); mol.addAtom(3); mol.undoStack().clear(); ASSERT_EQ(0, mol.bondCount()); EXPECT_TRUE(mol.addBond(a0, a1).isValid()); EXPECT_TRUE(mol.addBond(1, 2, 2).isValid()); EXPECT_FALSE(mol.addBond(1, 8, 2).isValid()); EXPECT_EQ(2, mol.bondCount()); mol.undoStack().undo(); EXPECT_EQ(1, mol.bondCount()); EXPECT_TRUE(mol.bond(a0, a1).isValid()); EXPECT_TRUE(mol.bond(a1, a0).isValid()); EXPECT_TRUE(mol.bond(1, 0).isValid()); EXPECT_FALSE(mol.bond(1, 2).isValid()); mol.undoStack().redo(); EXPECT_EQ(2, mol.bondCount()); EXPECT_TRUE(mol.bond(1, 0).isValid()); EXPECT_TRUE(mol.bond(1, 2).isValid()); EXPECT_EQ(1, mol.bondOrder(0)); EXPECT_EQ(2, mol.bondOrder(1)); } TEST(RWMoleculeTest, removeBond) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); mol.undoStack().clear(); #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.removeBond(mol.atom(1), mol.atom(2)); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 2, 3, 3, 2); mol.removeBond(1); VALIDATE_BOND(0, 0, 1, 1, 0); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 2, 3, 3, 2); mol.removeBond(mol.bond(0)); VALIDATE_BOND(0, 2, 3, 3, 2); mol.undoStack().undo(); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); #undef VALIDATE_BOND } TEST(RWMoleculeTest, clearBonds) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); mol.undoStack().clear(); Array> pairs(mol.bondPairs()); Array ords(mol.bondOrders()); mol.clearBonds(); EXPECT_EQ(0, mol.bondCount()); mol.undoStack().undo(); EXPECT_EQ(3, mol.bondCount()); EXPECT_TRUE(std::equal(pairs.begin(), pairs.end(), mol.bondPairs().begin(), mol.bondPairs().end())); EXPECT_TRUE(std::equal(ords.begin(), ords.end(), mol.bondOrders().begin(), mol.bondOrders().end())); } TEST(RWMoleculeTest, setBondOrders) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(1, mol.bondOrder(0)); ASSERT_EQ(2, mol.bondOrder(1)); ASSERT_EQ(3, mol.bondOrder(2)); mol.undoStack().clear(); Array old(mol.bondOrders()); Array rep(old); for (Array::iterator it = rep.begin(), itEnd = rep.end(); it != itEnd; ++it) { *it += rep.size(); } mol.setBondOrders(rep); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondOrders().begin(), mol.bondOrders().end())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(old.begin(), old.end(), mol.bondOrders().begin(), mol.bondOrders().end())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondOrders().begin(), mol.bondOrders().end())); } TEST(RWMoleculeTest, setBondOrder) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(1, mol.bondOrder(0)); ASSERT_EQ(2, mol.bondOrder(1)); ASSERT_EQ(3, mol.bondOrder(2)); mol.undoStack().clear(); // This undo behavior is a little different -- sequential changes to the // same bond's bond order are always merged. mol.setBondOrder(0, 2); mol.setBondOrder(0, 3); EXPECT_EQ(1, mol.undoStack().count()); mol.setBondOrder(2, 2); mol.setBondOrder(2, 1); EXPECT_EQ(2, mol.undoStack().count()); #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 1, 3, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 1, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 3, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().redo(); mol.undoStack().redo(); VALIDATE_BOND(0, 0, 1, 3, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 1, 2); #undef VALIDATE_BOND } TEST(RWMoleculeTest, setBondPairs) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(Molecule::makeBondPair(0, 1), mol.bondPair(0)); ASSERT_EQ(Molecule::makeBondPair(1, 2), mol.bondPair(1)); ASSERT_EQ(Molecule::makeBondPair(2, 3), mol.bondPair(2)); mol.undoStack().clear(); typedef std::pair BondPair; Array old(mol.bondPairs()); Array rep(old); for (Array::iterator it = rep.begin(), itEnd = rep.end(); it != itEnd; ++it) { ++it->second; } mol.setBondPairs(rep); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondPairs().begin(), mol.bondPairs().end())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(old.begin(), old.end(), mol.bondPairs().begin(), mol.bondPairs().end())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondPairs().begin(), mol.bondPairs().end())); } TEST(RWMoleculeTest, setBondPair) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(Molecule::makeBondPair(0, 1), mol.bondPair(0)); ASSERT_EQ(Molecule::makeBondPair(1, 2), mol.bondPair(1)); ASSERT_EQ(Molecule::makeBondPair(2, 3), mol.bondPair(2)); mol.undoStack().clear(); mol.setBondPair(0, Molecule::makeBondPair(0, 2)); mol.setBondPair(2, Molecule::makeBondPair(2, 4)); #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 2, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 4, 3, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 2, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().redo(); mol.undoStack().redo(); VALIDATE_BOND(0, 0, 2, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 4, 3, 2); #undef VALIDATE_BOND } TEST(RWMoleculeTest, AtomType) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; Atom a0 = mol.addAtom(1); Atom a1 = mol.addAtom(2); EXPECT_TRUE(a0.isValid()); EXPECT_FALSE(Atom().isValid()); EXPECT_FALSE(Atom(&mol, 2).isValid()); EXPECT_EQ(&mol, a0.molecule()); EXPECT_EQ(0, a0.index()); EXPECT_EQ(1, a0.atomicNumber()); EXPECT_EQ(1, mol.atomicNumber(0)); EXPECT_EQ(2, a1.atomicNumber()); EXPECT_EQ(2, mol.atomicNumber(1)); a0.setPosition3d(Vector3(Real(3), Real(4), Real(5))); a1.setPosition3d(Vector3(Real(6), Real(7), Real(8))); EXPECT_EQ(Vector3(Real(3), Real(4), Real(5)), a0.position3d()); EXPECT_EQ(Vector3(Real(3), Real(4), Real(5)), mol.atomPosition3d(0)); EXPECT_EQ(Vector3(Real(6), Real(7), Real(8)), a1.position3d()); EXPECT_EQ(Vector3(Real(6), Real(7), Real(8)), mol.atomPosition3d(1)); Atom other(&mol, 0); EXPECT_EQ(a0, other); EXPECT_NE(a1, other); } TEST(RWMoleculeTest, BondType) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; typedef RWMolecule::BondType Bond; Atom a0 = mol.addAtom(1); Atom a1 = mol.addAtom(2); Atom a2 = mol.addAtom(3); Bond b0 = mol.addBond(a0, a1); Bond b1 = mol.addBond(1, 2); Bond invalid = mol.addBond(0, 9); EXPECT_TRUE(b0.isValid()); EXPECT_FALSE(invalid.isValid()); EXPECT_FALSE(Bond().isValid()); EXPECT_FALSE(Bond(&mol, 3).isValid()); EXPECT_EQ(&mol, b0.molecule()); EXPECT_EQ(0, b0.index()); EXPECT_EQ(a0, b0.atom1()); EXPECT_EQ(a2, b1.atom2()); b1.setOrder(2); EXPECT_EQ(2, b1.order()); EXPECT_EQ(2, mol.bondOrder(1)); Bond other(&mol, 0); EXPECT_EQ(b0, other); EXPECT_NE(b1, other); } TEST(RWMoleculeTest, MoleculeToRWMolecule) { Molecule mol; typedef Molecule::AtomType Atom; typedef Molecule::BondType Bond; Atom a0 = mol.addAtom(1); Atom a1 = mol.addAtom(6); Atom a2 = mol.addAtom(9); Bond b0 = mol.addBond(a0, a2); a1.setPosition3d(Vector3(0, 6, 9)); b0.setOrder(3); RWMolecule rwmol(mol, nullptr); EXPECT_EQ(rwmol.atomCount(), mol.atomCount()); EXPECT_EQ(rwmol.bondCount(), mol.bondCount()); EXPECT_EQ(rwmol.atom(2).atomicNumber(), mol.atom(2).atomicNumber()); EXPECT_EQ(rwmol.bond(0).order(), mol.bond(0).order()); } OpenChemistry-avogadrolibs-ceb949f/tests/qtopengl/000077500000000000000000000000001516317240700224655ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/qtopengl/CMakeLists.txt000066400000000000000000000046211516317240700252300ustar00rootroot00000000000000include_directories("${AvogadroLibs_BINARY_DIR}/avogadro/qtgui" "${AvogadroLibs_BINARY_DIR}/avogadro/rendering" "${AvogadroLibs_BINARY_DIR}/avogadro/qtopengl" "${CMAKE_CURRENT_BINARY_DIR}") find_package(OpenGL REQUIRED) include_directories(SYSTEM ${OPENGL_INCLUDE_DIR}) find_package(Qt${QT_VERSION} COMPONENTS Widgets REQUIRED) include_directories(SYSTEM ${Qt${QT_VERSION}Widgets_INCLUDE_DIRS}) add_definitions(${Qt${QT_VERSION}Widgets_DEFINITIONS}) # We want to find some parts of VTK in order to do image comparisons. # note: VTK 9 introduced breaking change—components are renamed and old names # do not work any longer since VTK_INCLUDE_DIRS is empty; include path # will be set via imported targets instead. find_package(VTK 9 COMPONENTS ImagingCore RenderingQt IOImage NO_MODULE) if(NOT "${VTK_FOUND}") # try to find VTK 8 or prior find_package(VTK COMPONENTS vtkImagingCore vtkRenderingQt vtkIOImage NO_MODULE REQUIRED) include_directories(SYSTEM ${VTK_INCLUDE_DIRS}) endif() if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) else() message("No data root found, please set to run the tests.") return() endif() # Setup config file with data location configure_file("${CMAKE_CURRENT_SOURCE_DIR}/qtopengltests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/qtopengltests.h" @ONLY) # List of tests to be added, the name will be changed to lower case with # test.cpp appended. The main function of each test is expected to be lower # cased version with test appended, e.g. GLWidget -> glwidgettest. set(tests GLWidget QtTextLabel QtTextRenderStrategy ) foreach(test ${tests}) string(TOLOWER ${test} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() create_test_sourcelist(testDriver qtopengltests.cpp ${testSrcs}) add_executable(AvogadroQtOpenGLTests ${testDriver}) if("${VTK_VERSION}" VERSION_GREATER_EQUAL 9) target_link_libraries(AvogadroQtOpenGLTests Avogadro::QtOpenGL VTK::ImagingCore VTK::IOImage VTK::RenderingQt) else() target_link_libraries(AvogadroQtOpenGLTests Avogadro::QtOpenGL vtkImagingCore vtkIOImage vtkRenderingQt) endif() foreach(test ${tests}) string(TOLOWER ${test} testname) add_test(NAME "QtOpenGL-${test}" COMMAND AvogadroQtOpenGLTests "${testname}test" "--baseline" "${AVOGADRO_DATA_ROOT}/baselines/avogadro/qtopengl" "--temporary" "${PROJECT_BINARY_DIR}/Testing/Temporary") endforeach() OpenChemistry-avogadrolibs-ceb949f/tests/qtopengl/glwidgettest.cpp000066400000000000000000000043301516317240700256770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::QtOpenGL::GLWidget; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::SphereGeometry; using Avogadro::VtkTesting::ImageRegressionTest; int glwidgettest(int argc, char* argv[]) { // Set up the default format for our GL contexts. QSurfaceFormat defaultFormat = QSurfaceFormat::defaultFormat(); defaultFormat.setSamples(4); QSurfaceFormat::setDefaultFormat(defaultFormat); QApplication app(argc, argv); GLWidget widget; widget.setGeometry(10, 10, 250, 250); widget.show(); GeometryNode* geometry = new GeometryNode; SphereGeometry* spheres = new SphereGeometry; geometry->addDrawable(spheres); spheres->addSphere(Vector3f(0, 0, 0), Vector3ub(255, 0, 0), 0.5); spheres->addSphere(Vector3f(2, 0, 0), Vector3ub(0, 255, 0), 1.5); spheres->addSphere(Vector3f(0, 2, 1), Vector3ub(0, 0, 255), 1.0); widget.renderer().scene().rootNode().addChild(geometry); // Make sure the widget renders the scene, and store it in a QImage. widget.raise(); widget.repaint(); // Run the application for a while, and then quit so we can save an image. QTimer timer; timer.setSingleShot(true); app.connect(&timer, SIGNAL(timeout()), SLOT(quit())); timer.start(200); app.exec(); // Grab the frame buffer of the GLWidget and save it to a QImage. QImage image = widget.grabFramebuffer(); // Set up the image regression test. ImageRegressionTest test(argc, argv); // Do the image threshold test, printing output to the std::cout for ctest. return test.imageThresholdTest(image, std::cout); } OpenChemistry-avogadrolibs-ceb949f/tests/qtopengl/qtopengltests.h.in000066400000000000000000000002171516317240700261570ustar00rootroot00000000000000#ifndef AVOGADRO_QTOPENGLTESTS_H #define AVOGADRO_QTOPENGLTESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_QTOPENGLTESTS_H OpenChemistry-avogadrolibs-ceb949f/tests/qtopengl/qttextlabeltest.cpp000066400000000000000000000140171516317240700264250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector2f; using Avogadro::Vector2i; using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::QtOpenGL::GLWidget; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::SphereGeometry; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; using Avogadro::VtkTesting::ImageRegressionTest; int qttextlabeltest(int argc, char* argv[]) { // Set up the default format for our GL contexts. QSurfaceFormat defaultFormat = QSurfaceFormat::defaultFormat(); defaultFormat.setSamples(4); QSurfaceFormat::setDefaultFormat(defaultFormat); // Create and show widget QApplication app(argc, argv); GLWidget widget; widget.setGeometry(10, 10, 500, 500); widget.show(); // Create scene GeometryNode* geometry = new GeometryNode; widget.renderer().scene().rootNode().addChild(geometry); // Add a small sphere at the origin for reference: SphereGeometry* spheres = new SphereGeometry; spheres->addSphere(Vector3f::Zero(), Vector3ub(128, 128, 128), 0.1f); geometry->addDrawable(spheres); // Default text property: TextProperties tprop; // Test alignment: TextLabel3D* l3 = nullptr; TextLabel2D* l2 = nullptr; // 3D: tprop.setColorRgb(255, 0, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VTop); l3 = new TextLabel3D; l3->setText("Upper Left Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgb(0, 255, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VBottom); l3 = new TextLabel3D; l3->setText("Bottom Left Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgb(0, 0, 255); tprop.setAlign(TextProperties::HRight, TextProperties::VTop); l3 = new TextLabel3D; l3->setText("Upper Right Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgb(255, 255, 0); tprop.setAlign(TextProperties::HRight, TextProperties::VBottom); l3 = new TextLabel3D; l3->setText("Bottom Right Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgba(255, 255, 255, 220); tprop.setRotationDegreesCW(90.f); tprop.setAlign(TextProperties::HCenter, TextProperties::VCenter); l3 = new TextLabel3D; l3->setText("Centered Anchor (3D)"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); l3->setRenderPass(Avogadro::Rendering::TranslucentPass); geometry->addDrawable(l3); tprop.setRotationDegreesCW(0.f); tprop.setAlpha(255); // 2D: tprop.setColorRgb(255, 0, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VTop); l2 = new TextLabel2D; l2->setText("Upper Left Corner"); l2->setAnchor(Vector2i(0, widget.height())); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgb(0, 255, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VBottom); l2 = new TextLabel2D; l2->setText("Bottom Left Corner"); l2->setAnchor(Vector2i(0, 0)); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgb(0, 0, 255); tprop.setAlign(TextProperties::HRight, TextProperties::VTop); l2 = new TextLabel2D; l2->setText("Upper Right Corner"); l2->setAnchor(Vector2i(widget.width(), widget.height())); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgb(255, 255, 0); tprop.setAlign(TextProperties::HRight, TextProperties::VBottom); l2 = new TextLabel2D; l2->setText("Bottom Right Corner"); l2->setAnchor(Vector2i(widget.width(), 0)); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgba(255, 255, 255, 220); tprop.setAlign(TextProperties::HCenter, TextProperties::VCenter); l2 = new TextLabel2D; l2->setText("Centered Anchor (2D)"); l2->setAnchor(Vector2i(widget.width() / 2, widget.height() / 2)); l2->setTextProperties(tprop); geometry->addDrawable(l2); // Test the TextLabel3D's radius feature: spheres->addSphere(Vector3f(0.f, 6.f, 0.f), Vector3ub(255, 255, 255), 1.f); tprop.setColorRgba(255, 128, 64, 255); tprop.setRotationDegreesCW(90.f); l3 = new TextLabel3D; l3->setText("Clipped"); l3->setAnchor(Vector3f(0.f, 6.f, 0.f)); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgba(64, 128, 255, 255); tprop.setRotationDegreesCW(45.f); l3 = new TextLabel3D; l3->setText("Projected"); l3->setAnchor(Vector3f(0.f, 6.f, 0.f)); l3->setTextProperties(tprop); l3->setRadius(1.f); geometry->addDrawable(l3); // Make sure the widget renders the scene, and store it in a QImage. widget.raise(); widget.repaint(); // Run the application for a while, and then quit so we can save an image. QTimer timer; timer.setSingleShot(true); app.connect(&timer, SIGNAL(timeout()), SLOT(quit())); timer.start(200); app.exec(); // Grab the frame buffer of the GLWidget and save it to a QImage. QImage image = widget.grabFramebuffer(); // Set up the image regression test. ImageRegressionTest test(argc, argv); // Do the image threshold test, printing output to the std::cout for ctest. return test.imageThresholdTest(image, std::cout); } OpenChemistry-avogadrolibs-ceb949f/tests/qtopengl/qttextrenderstrategytest.cpp000066400000000000000000000127411516317240700304120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtopengltests.h" #include #include #include #include #include #include #include typedef Avogadro::QtOpenGL::QtTextRenderStrategy Strategy; typedef Avogadro::Rendering::TextRenderStrategy Interface; using Avogadro::Vector2i; using Avogadro::Rendering::TextProperties; // Need to start an app to load fonts #define START_QAPP \ int argc = 1; \ char argName[] = "FakeApp.exe"; \ char* argv[2] = { argName, nullptr }; \ QApplication app(argc, argv); \ Q_UNUSED(app) namespace { bool newInstance() { bool result = true; Strategy orig; Interface* clone = orig.newInstance(); if (dynamic_cast(clone) == nullptr) result = false; delete clone; return result; } bool boundingBox() { bool result = true; START_QAPP; Strategy strategy; TextProperties tprop; std::string testString("Testing string\nwith newlines!"); tprop.setFontFamily(TextProperties::SansSerif); tprop.setPixelHeight(27); tprop.setHAlign(TextProperties::HCenter); tprop.setVAlign(TextProperties::VCenter); int bbox[4]; // Valid sizes: int refbbox_1[4] = { -86, 85, -28, 27 }; int refbbox_2[4] = { -69, 68, -27, 26 }; strategy.boundingBox(testString, tprop, bbox); if (!std::equal(bbox, bbox + 4, refbbox_1) && !std::equal(bbox, bbox + 4, refbbox_2)) { qCritical() << "boundingBox() failed: " << bbox[0] << bbox[1] << bbox[2] << bbox[3]; result = false; } return result; } // Helpers for rendering tests: bool compareComponents(unsigned char a, unsigned char b) { // Allow small differences in component values. return std::abs(a - b) <= 2; } float validateBaseline(unsigned char* buffer, size_t numPixels, const std::string& fileName) { static const std::string baselineDir( AVOGADRO_DATA "/baselines/avogadro/qtgui/qttextrenderstrategy/"); QImage refImage; if (!refImage.load(QString::fromStdString(baselineDir + fileName))) qWarning() << "Error loading file" << QString::fromStdString(fileName); refImage = refImage.convertToFormat(QImage::Format_ARGB32_Premultiplied); return std::equal(buffer, buffer + (numPixels * 4), refImage.constBits(), compareComponents); } bool testRenderedString(Strategy& strategy, const std::string& str, const TextProperties& tprop, const std::string& refFilename) { int bbox[4]; strategy.boundingBox(str, tprop, bbox); const Vector2i dims(bbox[1] - bbox[0] + 1, bbox[3] - bbox[2] + 1); std::vector buffer(dims[0] * dims[1] * 4); if (buffer.empty()) return false; strategy.render(str, tprop, &buffer[0], dims); return validateBaseline(&buffer[0], dims[0] * dims[1], refFilename); } // Useful for making new baselines: void saveRenderedString(Strategy& strategy, const std::string& str, const TextProperties& tprop, const std::string& filename) { int bbox[4]; strategy.boundingBox(str, tprop, bbox); const Vector2i dims(bbox[1] - bbox[0] + 1, bbox[3] - bbox[2] + 1); std::vector buffer(dims[0] * dims[1] * 4); if (buffer.empty()) return; strategy.render(str, tprop, &buffer[0], dims); QImage img(&buffer[0], dims[0], dims[1], QImage::Format_ARGB32_Premultiplied); img.save(QString::fromStdString(filename)); } bool render() { bool result = true; START_QAPP; Strategy strategy; // Keep the buffer in a format that we can save with a QImage: strategy.setPreserveArgb(true); std::string str("Testing string\nwith newlines!\nSome lines are longer..."); TextProperties tprop; tprop.setFontFamily(TextProperties::SansSerif); tprop.setPixelHeight(27); tprop.setColorRgb(63, 127, 255); tprop.setVAlign(TextProperties::VTop); tprop.setHAlign(TextProperties::HLeft); if (!testRenderedString(strategy, str, tprop, "renderedString1.png")) result = false; tprop.setRotationDegreesCW(25); tprop.setRed(255); tprop.setBlue(63); tprop.setAlpha(200); tprop.setVAlign(TextProperties::VCenter); tprop.setHAlign(TextProperties::HCenter); tprop.setItalic(true); tprop.setBold(true); if (!testRenderedString(strategy, str, tprop, "renderedString2.png")) result = false; tprop.setRotationDegreesCW(300); tprop.setRed(255); tprop.setBlue(255); tprop.setAlpha(127); tprop.setVAlign(TextProperties::VBottom); tprop.setHAlign(TextProperties::HRight); tprop.setFontStyles(TextProperties::Underline); if (!testRenderedString(strategy, str, tprop, "renderedString3.png")) result = false; return result; } } // namespace // Driver function: int qttextrenderstrategytest(int, char** const) { bool result = true; if (!newInstance()) result = false; if (!boundingBox()) result = false; if (!render()) result = false; return result ? EXIT_SUCCESS : EXIT_FAILURE; } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/000077500000000000000000000000001516317240700226565ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/CMakeLists.txt000066400000000000000000000056121516317240700254220ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests cube fchk molden orca # TODO # qcschema # GAMESS US # GAMESS UK # NWChem log # NWChem JSON # MOPAC aux ) include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/quantumio") if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) else() message("No data root found, please set to run the tests.") return() endif() configure_file("${CMAKE_CURRENT_SOURCE_DIR}/quantumiotests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/quantumiotests.h" @ONLY) # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroQuantumIOTests ${testSrcs}) target_link_libraries(AvogadroQuantumIOTests Avogadro::IO Avogadro::QuantumIO ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) if(TestName STREQUAL "cube") add_test(NAME "QuantumIo-cube" COMMAND AvogadroQuantumIOTests "--gtest_filter=GaussianCubeTest.*") elseif(TestName STREQUAL "fchk") add_test(NAME "QuantumIo-fchk" COMMAND AvogadroQuantumIOTests "--gtest_filter=GaussianFchkTest.*") elseif(TestName STREQUAL "molden") add_test(NAME "QuantumIo-molden" COMMAND AvogadroQuantumIOTests "--gtest_filter=MoldenTest.*") elseif(TestName STREQUAL "orca") add_test(NAME "QuantumIo-orca" COMMAND AvogadroQuantumIOTests "--gtest_filter=OrcaTest.*") elseif(TestName STREQUAL "qcschema") add_test(NAME "QuantumIo-qcschema" COMMAND AvogadroQuantumIOTests "--gtest_filter=QCSchemaTest.*") else() add_test(NAME "QuantumIo-${TestName}" COMMAND AvogadroQuantumIOTests "--gtest_filter=${TestName}Test.*") endif() endforeach() if (DEFINED ENV{LIB_FUZZING_ENGINE}) option(ENABLE_FUZZ "Enable fuzz testing." ON) else() option(ENABLE_FUZZ "Enable fuzz testing." OFF) endif() if(ENABLE_FUZZ OR DEFINED ENV{LIB_FUZZING_ENGINE}) set(fuzz cube fchk molden orca qcschema ) foreach(fuzzName ${fuzz}) add_executable(fuzz_${fuzzName} fuzztest.cpp) target_compile_definitions(fuzz_${fuzzName} PRIVATE -DFUZZ_INPUT_FORMAT="${fuzzName}") if(DEFINED ENV{LIB_FUZZING_ENGINE}) target_link_libraries(fuzz_${fuzzName} PRIVATE Avogadro::IO Avogadro::QuantumIO $ENV{LIB_FUZZING_ENGINE}) else() target_compile_options(fuzz_${fuzzName} PRIVATE -g -fsanitize=fuzzer) target_link_options(fuzz_${fuzzName} PRIVATE -fsanitize=fuzzer) target_link_libraries(fuzz_${fuzzName} PRIVATE Avogadro::IO Avogadro::QuantumIO) endif() endforeach() endif() OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/cubetest.cpp000066400000000000000000000043271516317240700252060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantumiotests.h" #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::QuantumIO::GaussianCube; // does the basic read work TEST(GaussianCubeTest, basicRead) { GaussianCube cube; Molecule molecule; EXPECT_TRUE( cube.readFile(AVOGADRO_DATA "/data/cube/cn9-homo.cube", molecule)); ASSERT_EQ(cube.error(), std::string()); } // Regression test: malformed header should fail gracefully. TEST(GaussianCubeTest, invalidHeaderDoesNotCrash) { GaussianCube cube; Molecule molecule; EXPECT_FALSE(cube.readString("", molecule)); EXPECT_NE(cube.error(), std::string()); } // Regression test: oversized cube dimensions should fail gracefully. TEST(GaussianCubeTest, oversizedCubeRejected) { GaussianCube cube; Molecule molecule; std::ostringstream out; out << "Comment line\n"; out << "Second comment line\n"; out << "0 0 0 0\n"; out << "512 1 0 0\n"; out << "512 0 1 0\n"; out << "512 0 0 1\n"; EXPECT_FALSE(cube.readString(out.str(), molecule)); EXPECT_NE(cube.error(), std::string()); } // Regression test: binary junk input should fail gracefully. TEST(GaussianCubeTest, binaryInputDoesNotCrash) { GaussianCube cube; Molecule molecule; std::string input; input.push_back(static_cast(0x61)); input.push_back(static_cast(0x25)); input.push_back(static_cast(0x01)); input.push_back(static_cast(0x00)); input.push_back(static_cast(0x00)); input.push_back(static_cast(0xdc)); input.push_back(static_cast(0x00)); input.push_back(static_cast(0x3f)); EXPECT_FALSE(cube.readString(input, molecule)); EXPECT_NE(cube.error(), std::string()); } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/fchktest.cpp000066400000000000000000000026511516317240700252010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantumiotests.h" #include #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::QuantumIO::GaussianFchk; // does the basic read work TEST(GaussianFchkTest, basicRead) { GaussianFchk format; Molecule molecule; EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/fchk/h2o-restricted.fchk", molecule)); ASSERT_EQ(format.error(), std::string()); ASSERT_EQ(molecule.atomCount(), 3); } // Regression test: oversized array header should fail gracefully. TEST(GaussianFchkTest, oversizedArrayRejected) { GaussianFchk format; Molecule molecule; std::ostringstream out; out << "Header line 1\n"; out << "Header line 2\n"; out << std::left << std::setw(42) << "Atomic numbers" << " I 20000000\n"; EXPECT_FALSE(format.readString(out.str(), molecule)); EXPECT_NE(format.error(), std::string()); } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/fuzztest.cpp000066400000000000000000000045351516317240700252670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include // register potential formats to fuzz #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; // FUZZ_INPUT_FORMAT is defined in the build system // e.g., "cjson", "sdf", "xyz", etc. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { std::string input(reinterpret_cast(Data), Size); // Register quantum file formats Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::GAMESSUSOutput); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::GaussianFchk); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::GaussianCube); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::GenericJson); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::GenericOutput); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::MoldenFile); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::MopacAux); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::NWChemJson); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::NWChemLog); Avogadro::Io::FileFormatManager::registerFormat( new Avogadro::QuantumIO::ORCAOutput); // Avogadro::Io::FileFormatManager::registerFormat(new // Avogadro::QuantumIO::QCSchema); Molecule molecule; FileFormatManager::instance().readString(molecule, input, FUZZ_INPUT_FORMAT); return 0; } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/moldentest.cpp000066400000000000000000000342731516317240700255510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantumiotests.h" #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::BasisSet; using Avogadro::Core::GaussianSet; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::QuantumIO::MoldenFile; // does the basic read work TEST(MoldenTest, basicRead) { MoldenFile format; Molecule molecule; EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/H2O.molden", molecule)); ASSERT_EQ(format.error(), std::string()); ASSERT_EQ(molecule.atomCount(), 3); } // Test that supportedOperations includes Write TEST(MoldenTest, supportedOperations) { MoldenFile format; auto ops = format.supportedOperations(); EXPECT_TRUE(ops & FileFormat::Read); EXPECT_TRUE(ops & FileFormat::Write); EXPECT_TRUE(ops & FileFormat::File); EXPECT_TRUE(ops & FileFormat::Stream); EXPECT_TRUE(ops & FileFormat::String); } // Test basic write functionality TEST(MoldenTest, basicWrite) { MoldenFile format; Molecule molecule; // Read a test file first EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/H2O.molden", molecule)); ASSERT_EQ(format.error(), std::string()); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); ASSERT_EQ(format.error(), std::string()); // Verify key sections are present EXPECT_NE(output.find("[Molden Format]"), std::string::npos); EXPECT_NE(output.find("[Atoms]"), std::string::npos); EXPECT_NE(output.find("[GTO]"), std::string::npos); EXPECT_NE(output.find("[MO]"), std::string::npos); } // Round-trip test for atoms TEST(MoldenTest, roundTripAtoms) { MoldenFile format; Molecule molecule; // Read original file EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/H2O.molden", molecule)); ASSERT_EQ(format.error(), std::string()); // Store original values size_t originalAtomCount = molecule.atomCount(); std::vector originalAtomicNumbers; std::vector originalPositions; for (size_t i = 0; i < molecule.atomCount(); ++i) { originalAtomicNumbers.push_back(molecule.atomicNumber(i)); originalPositions.push_back(molecule.atomPosition3d(i)); } // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); // Read back MoldenFile format2; Molecule molecule2; EXPECT_TRUE(format2.readString(output, molecule2)); ASSERT_EQ(format2.error(), std::string()); // Verify atoms EXPECT_EQ(molecule2.atomCount(), originalAtomCount); for (size_t i = 0; i < molecule2.atomCount(); ++i) { EXPECT_EQ(molecule2.atomicNumber(i), originalAtomicNumbers[i]); Vector3 pos = molecule2.atomPosition3d(i); // Positions should match within reasonable tolerance (unit conversion) EXPECT_NEAR(pos.x(), originalPositions[i].x(), 1e-5); EXPECT_NEAR(pos.y(), originalPositions[i].y(), 1e-5); EXPECT_NEAR(pos.z(), originalPositions[i].z(), 1e-5); } } // Round-trip test for basis set TEST(MoldenTest, roundTripBasisSet) { MoldenFile format; Molecule molecule; // Read original file EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/H2O.molden", molecule)); ASSERT_EQ(format.error(), std::string()); const auto* originalBasis = dynamic_cast(molecule.basisSet()); ASSERT_NE(originalBasis, nullptr); // Store original basis set info size_t originalShellCount = originalBasis->symmetry().size(); size_t originalMOCount = originalBasis->molecularOrbitalCount(); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); // Read back MoldenFile format2; Molecule molecule2; EXPECT_TRUE(format2.readString(output, molecule2)); ASSERT_EQ(format2.error(), std::string()); const auto* newBasis = dynamic_cast(molecule2.basisSet()); ASSERT_NE(newBasis, nullptr); // Verify basis set structure EXPECT_EQ(newBasis->symmetry().size(), originalShellCount); EXPECT_EQ(newBasis->molecularOrbitalCount(), originalMOCount); } // Round-trip test for molecular orbitals TEST(MoldenTest, roundTripMolecularOrbitals) { MoldenFile format; Molecule molecule; // Read original file EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/H2O.molden", molecule)); ASSERT_EQ(format.error(), std::string()); const auto* originalBasis = dynamic_cast(molecule.basisSet()); ASSERT_NE(originalBasis, nullptr); // Store original MO data auto originalEnergies = originalBasis->moEnergy(); auto originalSymLabels = originalBasis->symmetryLabels(); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); // Read back MoldenFile format2; Molecule molecule2; EXPECT_TRUE(format2.readString(output, molecule2)); ASSERT_EQ(format2.error(), std::string()); const auto* newBasis = dynamic_cast(molecule2.basisSet()); ASSERT_NE(newBasis, nullptr); // Verify MO energies (converted through eV and back to Hartree) auto newEnergies = newBasis->moEnergy(); ASSERT_EQ(newEnergies.size(), originalEnergies.size()); for (size_t i = 0; i < newEnergies.size(); ++i) { // Allow some tolerance due to unit conversions EXPECT_NEAR(newEnergies[i], originalEnergies[i], 1e-6); } // Verify symmetry labels auto newSymLabels = newBasis->symmetryLabels(); ASSERT_EQ(newSymLabels.size(), originalSymLabels.size()); } // Test writing a molecule with vibration data TEST(MoldenTest, writeVibrations) { MoldenFile format; Molecule molecule; // Create a simple molecule with vibration data molecule.addAtom(8); // Oxygen molecule.addAtom(1); // Hydrogen molecule.addAtom(1); // Hydrogen molecule.setAtomPosition3d(0, Vector3(0.0, 0.0, 0.117)); molecule.setAtomPosition3d(1, Vector3(0.0, 0.757, -0.469)); molecule.setAtomPosition3d(2, Vector3(0.0, -0.757, -0.469)); // Add vibration frequencies Array frequencies; frequencies.push_back(1595.0); // Bending frequencies.push_back(3657.0); // Symmetric stretch frequencies.push_back(3756.0); // Asymmetric stretch molecule.setVibrationFrequencies(frequencies); // Add IR intensities Array irIntensities; irIntensities.push_back(53.0); irIntensities.push_back(5.0); irIntensities.push_back(45.0); molecule.setVibrationIRIntensities(irIntensities); // Add normal mode displacements Array> lx; // Mode 1 - bending Array mode1; mode1.push_back(Vector3(0.0, 0.0, 0.07)); mode1.push_back(Vector3(0.0, 0.43, -0.56)); mode1.push_back(Vector3(0.0, -0.43, -0.56)); lx.push_back(mode1); // Mode 2 - symmetric stretch Array mode2; mode2.push_back(Vector3(0.0, 0.0, -0.07)); mode2.push_back(Vector3(0.0, 0.58, 0.40)); mode2.push_back(Vector3(0.0, -0.58, 0.40)); lx.push_back(mode2); // Mode 3 - asymmetric stretch Array mode3; mode3.push_back(Vector3(0.0, 0.07, 0.0)); mode3.push_back(Vector3(0.0, -0.43, -0.56)); mode3.push_back(Vector3(0.0, -0.43, 0.56)); lx.push_back(mode3); molecule.setVibrationLx(lx); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); ASSERT_EQ(format.error(), std::string()); // Verify vibration sections are present EXPECT_NE(output.find("[FREQ]"), std::string::npos); EXPECT_NE(output.find("[FR-COORD]"), std::string::npos); EXPECT_NE(output.find("[FR-NORM-COORD]"), std::string::npos); EXPECT_NE(output.find("[INT]"), std::string::npos); EXPECT_NE(output.find("vibration 1"), std::string::npos); EXPECT_NE(output.find("vibration 2"), std::string::npos); EXPECT_NE(output.find("vibration 3"), std::string::npos); // Read back and verify MoldenFile format2; Molecule molecule2; EXPECT_TRUE(format2.readString(output, molecule2)); ASSERT_EQ(format2.error(), std::string()); auto readFreq = molecule2.vibrationFrequencies(); ASSERT_EQ(readFreq.size(), 3); EXPECT_NEAR(readFreq[0], 1595.0, 1.0); EXPECT_NEAR(readFreq[1], 3657.0, 1.0); EXPECT_NEAR(readFreq[2], 3756.0, 1.0); auto readIR = molecule2.vibrationIRIntensities(); ASSERT_EQ(readIR.size(), 3); EXPECT_NEAR(readIR[0], 53.0, 0.1); EXPECT_NEAR(readIR[1], 5.0, 0.1); EXPECT_NEAR(readIR[2], 45.0, 0.1); } // Test writing multiple coordinate sets (geometries) TEST(MoldenTest, writeGeometries) { MoldenFile format; Molecule molecule; // Create a simple molecule molecule.addAtom(8); // Oxygen molecule.addAtom(1); // Hydrogen molecule.addAtom(1); // Hydrogen // Set initial coordinates molecule.setAtomPosition3d(0, Vector3(0.0, 0.0, 0.117)); molecule.setAtomPosition3d(1, Vector3(0.0, 0.757, -0.469)); molecule.setAtomPosition3d(2, Vector3(0.0, -0.757, -0.469)); // Add multiple coordinate sets (simulating an optimization) Array coords1; coords1.push_back(Vector3(0.0, 0.0, 0.117)); coords1.push_back(Vector3(0.0, 0.757, -0.469)); coords1.push_back(Vector3(0.0, -0.757, -0.469)); molecule.setCoordinate3d(coords1, 0); Array coords2; coords2.push_back(Vector3(0.0, 0.0, 0.120)); coords2.push_back(Vector3(0.0, 0.760, -0.470)); coords2.push_back(Vector3(0.0, -0.760, -0.470)); molecule.setCoordinate3d(coords2, 1); Array coords3; coords3.push_back(Vector3(0.0, 0.0, 0.115)); coords3.push_back(Vector3(0.0, 0.755, -0.468)); coords3.push_back(Vector3(0.0, -0.755, -0.468)); molecule.setCoordinate3d(coords3, 2); ASSERT_EQ(molecule.coordinate3dCount(), 3); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); ASSERT_EQ(format.error(), std::string()); // Verify geometry section is present EXPECT_NE(output.find("[GEOMETRIES]"), std::string::npos); EXPECT_NE(output.find("Frame 1"), std::string::npos); EXPECT_NE(output.find("Frame 2"), std::string::npos); EXPECT_NE(output.find("Frame 3"), std::string::npos); } // Test file round-trip (read file, write file, read back) TEST(MoldenTest, fileRoundTrip) { MoldenFile format; Molecule molecule; // Read original file EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/H2O.molden", molecule)); ASSERT_EQ(format.error(), std::string()); // Write to temp file EXPECT_TRUE(format.writeFile("h2o_roundtrip.molden", molecule)); ASSERT_EQ(format.error(), std::string()); // Read back MoldenFile format2; Molecule molecule2; EXPECT_TRUE(format2.readFile("h2o_roundtrip.molden", molecule2)); ASSERT_EQ(format2.error(), std::string()); // Verify basic properties match EXPECT_EQ(molecule2.atomCount(), molecule.atomCount()); // Verify atoms for (size_t i = 0; i < molecule.atomCount(); ++i) { EXPECT_EQ(molecule2.atomicNumber(i), molecule.atomicNumber(i)); } // Verify basis set exists EXPECT_NE(molecule2.basisSet(), nullptr); } // Test writing SF4 (larger molecule with d orbitals) TEST(MoldenTest, roundTripSF4) { MoldenFile format; Molecule molecule; // Read SF4 file (has d orbitals) EXPECT_TRUE( format.readFile(AVOGADRO_DATA "/data/molden/SF4.molden", molecule)); ASSERT_EQ(format.error(), std::string()); ASSERT_EQ(molecule.atomCount(), 5); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); ASSERT_EQ(format.error(), std::string()); // Read back MoldenFile format2; Molecule molecule2; EXPECT_TRUE(format2.readString(output, molecule2)); ASSERT_EQ(format2.error(), std::string()); EXPECT_EQ(molecule2.atomCount(), 5); // Verify sulfur atom EXPECT_EQ(molecule2.atomicNumber(0), 16); // S // Verify fluorine atoms for (size_t i = 1; i < 5; ++i) { EXPECT_EQ(molecule2.atomicNumber(i), 9); // F } } // Test that empty molecule can be written TEST(MoldenTest, writeEmptyMolecule) { MoldenFile format; Molecule molecule; // Write empty molecule (just atoms section with nothing in it) std::string output; EXPECT_TRUE(format.writeString(output, molecule)); ASSERT_EQ(format.error(), std::string()); // Should at least have the header EXPECT_NE(output.find("[Molden Format]"), std::string::npos); EXPECT_NE(output.find("[Atoms]"), std::string::npos); } // Test writing molecule without basis set TEST(MoldenTest, writeNoBasisSet) { MoldenFile format; Molecule molecule; // Create a simple molecule without basis set molecule.addAtom(6); // Carbon molecule.addAtom(1); // Hydrogen molecule.addAtom(1); molecule.addAtom(1); molecule.addAtom(1); molecule.setAtomPosition3d(0, Vector3(0.0, 0.0, 0.0)); molecule.setAtomPosition3d(1, Vector3(1.09, 0.0, 0.0)); molecule.setAtomPosition3d(2, Vector3(-0.36, 1.03, 0.0)); molecule.setAtomPosition3d(3, Vector3(-0.36, -0.51, 0.89)); molecule.setAtomPosition3d(4, Vector3(-0.36, -0.51, -0.89)); // Write to string std::string output; EXPECT_TRUE(format.writeString(output, molecule)); ASSERT_EQ(format.error(), std::string()); // Should have atoms but no GTO or MO sections EXPECT_NE(output.find("[Molden Format]"), std::string::npos); EXPECT_NE(output.find("[Atoms]"), std::string::npos); EXPECT_NE(output.find("C "), std::string::npos); EXPECT_NE(output.find("H "), std::string::npos); // Should NOT have GTO or MO sections (no basis set) EXPECT_EQ(output.find("[GTO]"), std::string::npos); EXPECT_EQ(output.find("[MO]"), std::string::npos); } // Regression test: malformed GTO section should fail gracefully. TEST(MoldenTest, invalidGtoDoesNotCrash) { MoldenFile format; Molecule molecule; const std::string input = "[Molden Format]\n" "[Atoms]\n" "O 1 8 0.0 0.0 0.0\n" "[GTO]\n" " 1 0\n" " s 1 1.0\n" "\n"; EXPECT_FALSE(format.readString(input, molecule)); EXPECT_NE(format.error(), std::string()); } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/orcatest.cpp000066400000000000000000000044701516317240700252130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantumiotests.h" #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::QuantumIO::ORCAOutput; // does the basic read work TEST(OrcaTest, basicRead) { ORCAOutput qcs; Molecule molecule; EXPECT_TRUE( qcs.readFile(AVOGADRO_DATA "/data/orca/formaldehyde.out", molecule)); ASSERT_EQ(qcs.error(), std::string()); ASSERT_EQ(molecule.atomCount(), 4); } // Regression test: NMR block without atoms should not crash. TEST(OrcaTest, nmrWithoutAtomsDoesNotCrash) { ORCAOutput qcs; Molecule molecule; const std::string input = "CHEMICAL SHIELDING SUMMARY (ppm)\n" "header1\n" "header2\n" "header3\n" "header4\n" "1 H 0.772198 0.0\n" "\n"; EXPECT_FALSE(qcs.readString(input, molecule)); EXPECT_NE(qcs.error(), std::string()); } // Regression test: charges block without atoms should not crash. TEST(OrcaTest, chargesWithoutAtomsDoesNotCrash) { ORCAOutput qcs; Molecule molecule; const std::string input = "LOEWDIN ATOMIC CHARGES\n" "------------\n" "0 C : -0.228326\n" "\n"; EXPECT_FALSE(qcs.readString(input, molecule)); EXPECT_NE(qcs.error(), std::string()); } // Regression test: malformed bond order line should not crash. TEST(OrcaTest, bondOrdersMalformedLineDoesNotCrash) { ORCAOutput qcs; Molecule molecule; const std::string input = "Mayer bond orders larger than 0.100000\n" "B( 3-T available\n" "\n"; EXPECT_FALSE(qcs.readString(input, molecule)); EXPECT_NE(qcs.error(), std::string()); } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/qcschematest.cpp000066400000000000000000000016631516317240700260540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantumiotests.h" #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::QuantumIO::QCSchema; // does the basic read work? TEST(QCSchemaTest, basicRead) { QCSchema qcs; Molecule molecule; EXPECT_TRUE(qcs.readFile( AVOGADRO_DATA "/data/qcschema/output_json_1734290.json", molecule)); ASSERT_EQ(qcs.error(), std::string()); } OpenChemistry-avogadrolibs-ceb949f/tests/quantumio/quantumiotests.h.in000066400000000000000000000002221516317240700265350ustar00rootroot00000000000000#ifndef AVOGADRO_QUANTUMIOTESTS_H #define AVOGADRO_QUANTUMIOTESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_QUANTUMIOTESTS_H OpenChemistry-avogadrolibs-ceb949f/tests/rendering/000077500000000000000000000000001516317240700226115ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/tests/rendering/CMakeLists.txt000066400000000000000000000020371516317240700253530ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests Camera Node SphereGeometry ) find_package(OpenGL REQUIRED) include_directories(SYSTEM ${OPENGL_INCLUDE_DIR}) include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/rendering") # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroRenderingTests ${testSrcs}) target_link_libraries(AvogadroRenderingTests Avogadro::Rendering ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "Rendering-${TestName}" COMMAND AvogadroRenderingTests "--gtest_filter=${TestName}Test.*") endforeach() OpenChemistry-avogadrolibs-ceb949f/tests/rendering/absoluteoverlayquadstrategytest.cpp000066400000000000000000000033661516317240700321030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::AbsoluteOverlayQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector2i; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(AbsoluteOverlayQuadStrategyTest, exercise) { Strategy s; Vector2i anchor(15, 25); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); Vector2f dims(50.f, 61.f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HLeft); Strategy::VAlign vAlign(Strategy::VBottom); s.setAlign(hAlign, vAlign); EXPECT_EQ(hAlign, s.hAlign()); EXPECT_EQ(vAlign, s.vAlign()); Camera camera; // Configure for overlay: camera.setIdentity(); camera.setViewport(400, 400); camera.calculateOrthographic(0.f, 400.f, 0.f, 400.f, -1.f, 1.f); Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(15, quad[0][0]); EXPECT_FLOAT_EQ(86, quad[0][1]); EXPECT_FLOAT_EQ(0, quad[0][2]); EXPECT_FLOAT_EQ(65, quad[1][0]); EXPECT_FLOAT_EQ(86, quad[1][1]); EXPECT_FLOAT_EQ(0, quad[1][2]); EXPECT_FLOAT_EQ(15, quad[2][0]); EXPECT_FLOAT_EQ(25, quad[2][1]); EXPECT_FLOAT_EQ(0, quad[2][2]); EXPECT_FLOAT_EQ(65, quad[3][0]); EXPECT_FLOAT_EQ(25, quad[3][1]); EXPECT_FLOAT_EQ(0, quad[3][2]); } OpenChemistry-avogadrolibs-ceb949f/tests/rendering/absolutequadstrategytest.cpp000066400000000000000000000036651516317240700305030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::AbsoluteQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(AbsoluteQuadStrategyTest, exercise) { Strategy s; Vector2f dims(501.2f, 612.5f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HRight); s.setHAlign(hAlign); EXPECT_EQ(hAlign, s.hAlign()); Strategy::VAlign vAlign(Strategy::VBottom); s.setVAlign(vAlign); EXPECT_EQ(vAlign, s.vAlign()); Vector3f normal(Vector3f(3.f, 4.f, 5.f).normalized()); s.setNormal(normal); EXPECT_EQ(normal, s.normal()); Vector3f up(Vector3f(1.f, 5.f, 7.f).normalized()); s.setUp(up); EXPECT_EQ(up, s.up()); Vector3f anchor(9.3f, 2.1f, -1.8f); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); Camera camera; // dummy, doesn't affect resulting quad. Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(-460.86874f, quad[0][0]); EXPECT_FLOAT_EQ(-326.70682f, quad[0][1]); EXPECT_FLOAT_EQ(543.34692f, quad[0][2]); EXPECT_FLOAT_EQ(-537.40002f, quad[1][0]); EXPECT_FLOAT_EQ(81.459717f, quad[1][1]); EXPECT_FLOAT_EQ(262.73242f, quad[1][2]); EXPECT_FLOAT_EQ(85.831268f, quad[2][0]); EXPECT_FLOAT_EQ(-406.06653f, quad[2][1]); EXPECT_FLOAT_EQ(278.81454f, quad[2][2]); EXPECT_FLOAT_EQ(9.2999878f, quad[3][0]); EXPECT_FLOAT_EQ(2.1000061f, quad[3][1]); EXPECT_FLOAT_EQ(-1.7999573f, quad[3][2]); } OpenChemistry-avogadrolibs-ceb949f/tests/rendering/billboardquadstrategytest.cpp000066400000000000000000000067241516317240700306160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::BillboardQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(BillboardQuadStrategyTest, exercise) { Strategy s; Vector3f anchor(9.3f, 2.1f, -1.8f); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); float radius = 3.4f; s.setRadius(radius); EXPECT_EQ(radius, s.radius()); bool useCameraUp = false; s.setUseCameraUp(useCameraUp); EXPECT_EQ(useCameraUp, s.useCameraUp()); Vector3f up(Vector3f(1.f, 5.f, 7.f).normalized()); s.setUp(up); EXPECT_EQ(up, s.up()); Vector2f dims(501.2f, 612.5f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HRight); s.setHAlign(hAlign); EXPECT_EQ(hAlign, s.hAlign()); Strategy::VAlign vAlign(Strategy::VBottom); s.setVAlign(vAlign); EXPECT_EQ(vAlign, s.vAlign()); Camera camera; camera.setIdentity(); camera.rotate(136.2f, Vector3f(205.f, 603.f, -141.f).normalized()); camera.translate(Vector3f(-13.2f, 15.6f, 102.f)); Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(243.83968f, quad[0][0]); EXPECT_FLOAT_EQ(-185.99776f, quad[0][1]); EXPECT_FLOAT_EQ(730.30627f, quad[0][2]); EXPECT_FLOAT_EQ(389.97992f, quad[1][0]); EXPECT_FLOAT_EQ(194.00380f, quad[1][1]); EXPECT_FLOAT_EQ(437.99942f, quad[1][2]); EXPECT_FLOAT_EQ(-134.35634f, quad[2][0]); EXPECT_FLOAT_EQ(-379.83984f, quad[2][1]); EXPECT_FLOAT_EQ(289.22885f, quad[2][2]); EXPECT_FLOAT_EQ(11.783905f, quad[3][0]); EXPECT_FLOAT_EQ(0.16171265f, quad[3][1]); EXPECT_FLOAT_EQ(-3.0780029f, quad[3][2]); // Test the useCameraUp options: useCameraUp = true; s.setUseCameraUp(useCameraUp); EXPECT_EQ(useCameraUp, s.useCameraUp()); quad = s.quad(camera); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(538.01459f, quad[0][0]); EXPECT_FLOAT_EQ(371.01038f, quad[0][1]); EXPECT_FLOAT_EQ(457.25916f, quad[0][2]); EXPECT_FLOAT_EQ(387.27307f, quad[1][0]); EXPECT_FLOAT_EQ(484.04947f, quad[1][1]); EXPECT_FLOAT_EQ(-7.1766663f, quad[1][2]); EXPECT_FLOAT_EQ(162.52542f, quad[2][0]); EXPECT_FLOAT_EQ(-112.87738f, quad[2][1]); EXPECT_FLOAT_EQ(461.35785f, quad[2][2]); EXPECT_FLOAT_EQ(11.783905f, quad[3][0]); EXPECT_FLOAT_EQ(0.16171265f, quad[3][1]); EXPECT_FLOAT_EQ(-3.0779662f, quad[3][2]); // Rotating the camera should update the quad: camera.preRotate(36.f, Vector3f::UnitY()); quad = s.quad(camera); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(727.31494f, quad[0][0]); EXPECT_FLOAT_EQ(218.08212f, quad[0][1]); EXPECT_FLOAT_EQ(-255.12888f, quad[0][2]); EXPECT_FLOAT_EQ(383.45709f, quad[1][0]); EXPECT_FLOAT_EQ(486.99631f, quad[1][1]); EXPECT_FLOAT_EQ(-8.8598633f, quad[1][2]); EXPECT_FLOAT_EQ(351.82578f, quad[2][0]); EXPECT_FLOAT_EQ(-265.80563f, quad[2][1]); EXPECT_FLOAT_EQ(-251.03018f, quad[2][2]); EXPECT_FLOAT_EQ(7.967926f, quad[3][0]); EXPECT_FLOAT_EQ(3.108551f, quad[3][1]); EXPECT_FLOAT_EQ(-4.7611632f, quad[3][2]); } OpenChemistry-avogadrolibs-ceb949f/tests/rendering/cameratest.cpp000066400000000000000000000066601516317240700254550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Vector3f; using Avogadro::Rendering::Camera; void setUpOrthographic(Camera& camera) { camera.calculateOrthographic(0, 10, 0, 10, 0, 1); } TEST(CameraTest, perspective) { Camera camera; camera.calculatePerspective(40, 1.5, 1, 10); // Load in a known value for the result of this matrix. Eigen::Matrix4f expected; expected << 1.83165f, 0.0f, 0.0f, 0.0f, 0.0f, 2.74748f, 0.0f, 0.0f, 0.0f, 0.0f, -1.22222f, -2.22222f, 0.0f, 0.0f, -1.0f, 0.0f; EXPECT_TRUE(camera.projection().matrix().isApprox(expected)); // If it is incorrect then print out the result. if (!camera.projection().matrix().isApprox(expected)) { std::cout << "Error: No match\n" << camera.projection().matrix() << "\nexpected\n" << expected << std::endl; } } TEST(CameraTest, orthographic) { Camera camera; camera.calculateOrthographic(0, 10, 0, 10, 0, 1); // Load in a known value for the result of this matrix. Eigen::Matrix4f expected; expected << 0.2f, 0.0f, 0.0f, -1.0f, 0.0f, 0.2f, 0.0f, -1.0f, 0.0f, 0.0f, -2.0f, -1.0f, 0.0f, 0.0f, 0.0f, 1.0f; EXPECT_TRUE(camera.projection().matrix().isApprox(expected)); // If it is incorrect then print out the result. if (!camera.projection().matrix().isApprox(expected)) { std::cout << "Error: No match\n" << camera.projection().matrix() << "\nexpected\n" << expected << std::endl; } } TEST(CameraTest, projectOrthographic) { Camera camera; camera.calculateOrthographic(0, 10, 0, 10, 0, 1); camera.setViewport(100, 100); Vector3f position = camera.project(Vector3f(1.0, 2.0, 0.0)); Vector3f expected(10.0, 20.0, 0.0); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } TEST(CameraTest, projectPerspective) { Camera camera; camera.calculatePerspective(40, 1.5, 1, 10); camera.preTranslate(Vector3f(0, 0, -10)); camera.setViewport(100, 100); Vector3f position = camera.project(Vector3f(1.0, 2.0, 0.0)); Vector3f expected(59.1583f, 77.4748f, 1.0f); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } TEST(CameraTest, unProjectOrthographic) { Camera camera; camera.calculateOrthographic(0, 10, 0, 10, 0, 1); camera.setViewport(100, 100); Vector3f position = camera.unProject(Vector3f(10, 25, 0)); Vector3f expected(1.0, 7.5, 0.0); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } TEST(CameraTest, unProjectPerspective) { Camera camera; camera.calculatePerspective(40, 1.5, 1, 10); camera.preTranslate(Vector3f(0, 0, -10)); camera.setViewport(100, 100); Vector3f position = camera.unProject(Vector3f(10, 25, 0)); Vector3f expected(-0.436764f, 0.181985f, 9.0f); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } OpenChemistry-avogadrolibs-ceb949f/tests/rendering/nodetest.cpp000066400000000000000000000022721516317240700251450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Node; TEST(NodeTest, children) { GroupNode root; Node* child1 = new Node; Node* child2 = new Node; root.addChild(child1); root.addChild(child2); EXPECT_EQ(&root, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(child1, root.child(0)); EXPECT_EQ(child2, root.child(1)); } TEST(NodeTest, removeChild) { GroupNode root; Node* child1 = new Node; Node* child2 = new Node; root.addChild(child1); root.addChild(child2); EXPECT_EQ(child1, root.child(0)); EXPECT_EQ(root.removeChild(child1), true); EXPECT_EQ(root.removeChild(child1), false); EXPECT_EQ(child2, root.child(0)); EXPECT_EQ(nullptr, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(root.removeChild(child2), true); delete child1; delete child2; } OpenChemistry-avogadrolibs-ceb949f/tests/rendering/overlayquadstrategytest.cpp000066400000000000000000000033351516317240700303400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::OverlayQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(OverlayQuadStrategyTest, exercise) { Strategy s; Vector2f anchor(0.1f, 0.6f); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); Vector2f dims(50.f, 61.f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HLeft); s.setHAlign(hAlign); EXPECT_EQ(hAlign, s.hAlign()); Strategy::VAlign vAlign(Strategy::VBottom); s.setVAlign(vAlign); EXPECT_EQ(vAlign, s.vAlign()); Camera camera; // Configure for overlay: camera.setIdentity(); camera.setViewport(400, 400); camera.calculateOrthographic(0.f, 400.f, 0.f, 400.f, -1.f, 1.f); Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(40, quad[0][0]); EXPECT_FLOAT_EQ(301, quad[0][1]); EXPECT_FLOAT_EQ(0, quad[0][2]); EXPECT_FLOAT_EQ(90, quad[1][0]); EXPECT_FLOAT_EQ(301, quad[1][1]); EXPECT_FLOAT_EQ(0, quad[1][2]); EXPECT_FLOAT_EQ(40, quad[2][0]); EXPECT_FLOAT_EQ(240, quad[2][1]); EXPECT_FLOAT_EQ(0, quad[2][2]); EXPECT_FLOAT_EQ(90, quad[3][0]); EXPECT_FLOAT_EQ(240, quad[3][1]); EXPECT_FLOAT_EQ(0, quad[3][2]); } OpenChemistry-avogadrolibs-ceb949f/tests/rendering/spheregeometrytest.cpp000066400000000000000000000036171516317240700272660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::SphereGeometry; TEST(SphereGeometryTest, children) { GeometryNode root; SphereGeometry* child1 = new SphereGeometry; SphereGeometry* child2 = new SphereGeometry; root.addDrawable(child1); root.addDrawable(child2); EXPECT_EQ(&root, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(child1, root.drawable(0)); EXPECT_EQ(child2, root.drawable(1)); } TEST(SphereGeometryTest, removeChild) { GeometryNode root; SphereGeometry* child1 = new SphereGeometry; SphereGeometry* child2 = new SphereGeometry; root.addDrawable(child1); root.addDrawable(child2); EXPECT_EQ(child1, root.drawable(0)); EXPECT_EQ(root.removeDrawable(child1), true); EXPECT_EQ(root.removeDrawable(child1), false); EXPECT_EQ(child2, root.drawable(0)); EXPECT_EQ(nullptr, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(root.removeDrawable(child2), true); delete child1; delete child2; } TEST(SphereGeometryTest, addSphere) { SphereGeometry node; node.addSphere(Vector3f(1.0, 2.0, 3.0), Vector3ub(200, 100, 50), 5.0); EXPECT_EQ(node.size(), static_cast(1)); } TEST(SphereGeometryTest, clear) { SphereGeometry node; node.addSphere(Vector3f(1.0, 2.0, 3.0), Vector3ub(200, 100, 50), 5.0); EXPECT_EQ(node.size(), static_cast(1)); node.clear(); EXPECT_EQ(node.size(), static_cast(0)); } OpenChemistry-avogadrolibs-ceb949f/thirdparty/000077500000000000000000000000001516317240700216645ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/CMakeLists.txt000066400000000000000000000043531516317240700244310ustar00rootroot00000000000000if(NOT TARGET gif-h) add_library(gif-h INTERFACE IMPORTED GLOBAL) target_include_directories(gif-h INTERFACE $) endif(NOT TARGET gif-h) # Only used by Qt plugin if (USE_QT) add_subdirectory(libgwavi) endif() if(USE_EXTERNAL_NLOHMANN) find_package(nlohmann_json 3.3.0 REQUIRED GLOBAL) else() add_library(nlohmann_json INTERFACE IMPORTED GLOBAL) target_include_directories(nlohmann_json INTERFACE $) add_library(nlohmann_json::nlohmann_json ALIAS nlohmann_json) endif(USE_EXTERNAL_NLOHMANN) if(USE_EXTERNAL_PUGIXML) find_package(pugixml 1.12 REQUIRED GLOBAL) else() set(_PUGIXML_ROOT ${CMAKE_CURRENT_SOURCE_DIR}/pugixml) add_library(pugixml STATIC ${_PUGIXML_ROOT}/pugixml.cpp) set_target_properties(pugixml PROPERTIES POSITION_INDEPENDENT_CODE ON) target_include_directories(pugixml PUBLIC $) add_library(pugixml::pugixml ALIAS pugixml) unset(_PUGIXML_ROOT) endif(USE_EXTERNAL_PUGIXML) if(USE_EXTERNAL_STRUCT) find_package(struct REQUIRED GLOBAL) else() set(_STRUCT_ROOT ${CMAKE_CURRENT_SOURCE_DIR}/struct) add_library(struct STATIC ${_STRUCT_ROOT}/struct.c ${_STRUCT_ROOT}/struct_endian.c ) set_target_properties(struct PROPERTIES POSITION_INDEPENDENT_CODE TRUE) target_include_directories(struct PUBLIC $) unset(_STRUCT_ROOT) endif(USE_EXTERNAL_STRUCT) if(NOT TARGET cppoptlib) add_library(cppoptlib INTERFACE IMPORTED GLOBAL) target_include_directories(cppoptlib INTERFACE $) endif(NOT TARGET cppoptlib) if(USE_EXTERNAL_TOMLPLUSPLUS) find_package(tomlplusplus 3.4.0 REQUIRED GLOBAL) else() add_library(tomlplusplus INTERFACE IMPORTED GLOBAL) target_include_directories(tomlplusplus INTERFACE $) add_library(tomlplusplus::tomlplusplus ALIAS tomlplusplus) endif(USE_EXTERNAL_TOMLPLUSPLUS) if(NOT TARGET tinycolormap) add_library(tinycolormap INTERFACE IMPORTED GLOBAL) target_include_directories(tinycolormap INTERFACE $) endif(NOT TARGET tinycolormap) OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/000077500000000000000000000000001516317240700236605ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/BUILD000066400000000000000000000002521516317240700244410ustar00rootroot00000000000000cc_library( name = "cppoptlib", hdrs = glob([ "include/cppoptlib/**/*.h", ]), includes = ["include"], visibility = ["//visibility:public"], ) OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/LICENSE000066400000000000000000000021741516317240700246710ustar00rootroot00000000000000The MIT License (MIT) Copyright (c) 2014-2015 Patrick Wieschollek Copyright (c) 2015- Patrick Wieschollek+Contributors Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/README.md000066400000000000000000000245331516317240700251460ustar00rootroot00000000000000# CppNumericalSolvers: A Modern C++17 Header-Only Optimization Library CppNumericalSolvers is a lightweight, header-only C++17 library for numerical optimization. It provides a suite of modern, efficient solvers for both unconstrained and constrained problems, designed for easy integration and high performance. A key feature is its use of function expression templates, which allow you to build complex objective functions on-the-fly without writing boilerplate code. The library is built on Eigen3 and is distributed under the permissive MIT license, making it suitable for both academic and commercial projects. ## Core Features - **Header-Only & Easy Integration**: Simply include the headers in your project. No complex build steps required. - **Modern C++17 Design**: Utilizes modern C++ features for a clean, type-safe, and expressive API. - **Powerful Expression Templates**: Compose complex objective functions from simpler parts using operator overloading (`+`, `-`, `*`). This avoids manual implementation of wrapper classes and promotes reusable code. - **Comprehensive Solver Suite**: - **Unconstrained Solvers**: Gradient Descent, Conjugate Gradient, Newton's Method, BFGS, L-BFGS, and Nelder-Mead. - **Constrained Solvers**: L-BFGS-B (for box constraints) and the Augmented Lagrangian method (for general equality and inequality constraints). - **Automatic Differentiation Utilities**: Includes tools to verify the correctness of your analytical gradients and Hessians using finite difference approximations. - **Permissive MIT License**: Free to use in any project, including commercial applications. ## Quick Start: Basic Minimization Here’s how to solve a simple unconstrained optimization problem. We'll minimize the function *f(x)=5x₀² + 100x₁² + 5*. ### 1. Define the Objective Function First, create a class for your objective function that inherits from `cppoptlib::function::FunctionCRTP`. You need to implement `operator()` which returns the function value and optionally computes the gradient and Hessian. ```cpp #include #include "cppoptlib/function.h" #include "cppoptlib/solver/lbfgs.h" // Use a CRTP-based class to define a 2D function with second-order derivatives. class MyObjective : public cppoptlib::function::FunctionCRTP { public: EIGEN_MAKE_ALIGNED_OPERATOR_NEW // The objective function: f(x) = 5*x₀² + 100*x₁² + 5 ScalarType operator()(const VectorType &x, VectorType *gradient, MatrixType *hessian) const { if (gradient) { *gradient = Eigen::Vector2d(10, 200).cwiseProduct(x); } if (hessian) { hessian->setZero(); hessian->diagonal() << 10, 200; } return VectorType(5, 100).dot(x.cwiseProduct(x)) + 5; } }; ``` ### 2. Solve the Problem Instantiate your function, pick a solver, set a starting point, and run the minimization. ```cpp int main() { MyObjective f; Eigen::Vector2d x_init; x_init << -10, 2; // Choose a solver (L-BFGS is a great all-rounder) cppoptlib::solver::Lbfgs solver; // Create the initial state for the solver auto initial_state = cppoptlib::function::FunctionState(x_init); // Set a callback to print progress solver.SetCallback(cppoptlib::solver::PrintProgressCallback(std::cout)); // Run the minimization auto [solution, solver_state] = solver.Minimize(f, initial_state); std::cout << "\nSolver finished!" << std::endl; std::cout << "Final Status: " << solver_state.status << std::endl; std::cout << "Found minimum at: " << solution.x.transpose() << std::endl; std::cout << "Function value: " << f(solution.x) << std::endl; return 0; } ``` # The Power of Function Expression Templates Manually creating a new C++ class for every objective function is tedious, especially when objectives are just different combinations of standard cost terms. CppNumericalSolvers uses expression templates to let you build complex objective functions from modular, reusable "cost functions". Let's demonstrate this with a practical example: **Ridge Regression**. The goal is to find model parameters, `x`, that minimize a combination of two terms: - **Data Fidelity**: How well does the model fit the data? We measure this with the squared error: ∥Ax−y∥². - **Regularization**: How complex is the model? We penalize complexity with the L2 norm: ∥x∥². The final objective is a weighted sum: **F(x) = ∥Ax−y∥² + λ∥x∥²**, where `λ` is a scalar weight that controls the trade-off. With expression templates, we can define each term as a separate, reusable class and then combine them with a single line of C++: **DataTerm + lambda * RegularizationTerm**. --- ## 1. Define the Building Blocks First, we create classes for our two cost terms. Each is a self-contained, differentiable function. ```cpp #include #include "cppoptlib/function.h" #include "cppoptlib/solver/lbfgs.h" // The first term: Data Fidelity as Squared Error: f(x) = ||Ax - y||^2 class SquaredError : public cppoptlib::function::FunctionCRTP { private: const Eigen::MatrixXd &A; const Eigen::VectorXd &y; public: SquaredError(const Eigen::MatrixXd &A, const Eigen::VectorXd &y) : A(A), y(y) {} int GetDimension() const { return A.cols(); } ScalarType operator()(const VectorType &x, VectorType *grad, MatrixType *hess) const { Eigen::VectorXd residual = A * x - y; if (grad) { *grad = 2 * A.transpose() * residual; } if (hess) { *hess = 2 * A.transpose() * A; } return residual.squaredNorm(); } }; // The second term: L2 Regularization: g(x) = ||x||^2 class L2Regularization : public cppoptlib::function::FunctionCRTP { public: int dim; explicit L2Regularization(int d) : dim(d) {} int GetDimension() const { return dim; } ScalarType operator()(const VectorType &x, VectorType *grad, MatrixType *hess) const { if (grad) { *grad = 2 * x; } if (hess) { hess->setIdentity(dim, dim); *hess *= 2; } return x.squaredNorm(); } }; ``` ## 2. Compose and Solve in `main` Now, we can combine these building blocks to create our final objective function and solve the problem. ```cpp int main() { // 1. Define the problem data Eigen::MatrixXd A(3, 2); A << 1, 2, 3, 4, 5, 6; Eigen::VectorXd y(3); y << 7, 8, 9; const double lambda = 0.1; // Regularization weight // 2. Create instances of our reusable cost functions auto data_term = SquaredError(A, y); auto reg_term = L2Regularization(A.cols()); // 3. Compose the final objective using expression templates! // F(x) = (||Ax - y||^2) + lambda * (||x||^2) auto objective_expr = data_term + lambda * reg_term; // 4. Wrap the expression for the solver. The library automatically handles // the combination of values, gradients, and Hessians. cppoptlib::function::FunctionExpr objective(objective_expr); // 5. Solve as usual Eigen::VectorXd x_init = Eigen::VectorXd::Zero(A.cols()); cppoptlib::solver::Lbfgs solver; auto [solution, solver_state] = solver.Minimize(objective, cppoptlib::function::FunctionState(x_init)); std::cout << "Found minimum at: " << solution.x.transpose() << std::endl; std::cout << "Function value: " << objective(solution.x) << std::endl; } ``` ## Constrained Optimization Solve constrained problems using the Augmented Lagrangian method. Here, we solve *min f(x) = x₀ + x₁* subject to the equality constraint *x₀² + x₁² - 2 = 0*. The optimal solution lies on the circle of radius √2 at the point (-1, -1). ```cpp #include "cppoptlib/function.h" #include "cppoptlib/solver/augmented_lagrangian.h" #include "cppoptlib/solver/lbfgs.h" // Objective: f(x) = x_0 + x_1 class SumObjective : public cppoptlib::function::FunctionXd { public: ScalarType operator()(const VectorType &x, VectorType *grad) const { if (grad) *grad = VectorType::Ones(x.size()); return x.sum(); } }; // Constraint: c(x) = x_0^2 + x_1^2 class Circle : public cppoptlib::function::FunctionXd { public: ScalarType operator()(const VectorType &x, VectorType *grad) const { if (grad) *grad = 2 * x; return x.squaredNorm(); } }; int main() { cppoptlib::function::FunctionExpr objective = SumObjective(); cppoptlib::function::FunctionExpr circle_constraint_base = Circle(); cppoptlib::function::FunctionExpr equality_constraint = circle_constraint_base - 2.0; cppoptlib::function::ConstrainedOptimizationProblem problem( objective, {equality_constraint}); cppoptlib::solver::Lbfgs inner_solver; cppoptlib::solver::AugmentedLagrangian solver(problem, inner_solver); Eigen::VectorXd x_init(2); x_init << 5, -3; cppoptlib::solver::AugmentedLagrangeState state(x_init, 1, 0, 10.0); auto [solution, solver_state] = solver.Minimize(problem, state); std::cout << "Solver finished!" << std::endl; std::cout << "Found minimum at: " << solution.x.transpose() << std::endl; std::cout << "Function value: " << objective(solution.x) << std::endl; return 0; } ``` ## Installation CppNumericalSolvers is header-only. You just need a C++17 compatible compiler and Eigen3. ### Recommended: CMake FetchContent Add this to your `CMakeLists.txt`: ```cmake include(FetchContent) FetchContent_Declare( cppoptlib GIT_REPOSITORY https://github.com/PatWie/CppNumericalSolvers.git GIT_TAG main # Or a specific commit/tag ) FetchContent_MakeAvailable(cppoptlib) # ... then in your target: target_link_libraries(your_target PRIVATE CppNumericalSolvers) ``` ### Manual Integration Clone the repository: ```bash git clone https://github.com/PatWie/CppNumericalSolvers.git ``` Add the `include/` directory to your project's include path. Ensure Eigen3 is available in your include path. ## Citation If you use this library in your research, please cite it: ```bibtex @misc{wieschollek2016cppoptimizationlibrary, title={CppOptimizationLibrary}, author={Wieschollek, Patrick}, year={2016}, howpublished={\url{https://github.com/PatWie/CppNumericalSolvers}}, } ``` OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/000077500000000000000000000000001516317240700253035ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/000077500000000000000000000000001516317240700272775ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/function.h000066400000000000000000000042741516317240700313040ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_FUNCTION_H_ #define INCLUDE_CPPOPTLIB_FUNCTION_H_ #include "function_base.h" #include "function_expressions.h" #include "function_penalty.h" #include "function_problem.h" namespace cppoptlib::function { template using FunctionXf = cppoptlib::function::FunctionCRTP< F, float, cppoptlib::function::DifferentiabilityMode::First>; template using FunctionXd = cppoptlib::function::FunctionCRTP< F, double, cppoptlib::function::DifferentiabilityMode::First>; using FunctionExprXf = cppoptlib::function::FunctionExpr< float, cppoptlib::function::DifferentiabilityMode::First>; using FunctionExprXd = cppoptlib::function::FunctionExpr< double, cppoptlib::function::DifferentiabilityMode::First>; } // namespace cppoptlib::function #endif // INCLUDE_CPPOPTLIB_FUNCTION_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/function_base.h000066400000000000000000000171401516317240700322720ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_FUNCTION_BASE_H_ #define INCLUDE_CPPOPTLIB_FUNCTION_BASE_H_ #include #include #include #include #include #include namespace cppoptlib::function { //----------------------------------------------------------------- // Differentiability enum. enum class DifferentiabilityMode { None = 0, // Only function evaluation. First = 1, // Evaluation and gradient available. Second = 2 // Evaluation, gradient, and Hessian available. }; //----------------------------------------------------------------- // Unified Function Interface templated on scalar type and differentiability. template struct FunctionInterface { static constexpr int Dimension = TDimension; using ScalarType = TScalar; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = Mode; // Unified signature: even if some derivatives are not computed. virtual ScalarType operator()(const VectorType &x, VectorType *grad = nullptr, MatrixType *hess = nullptr) const = 0; virtual std::unique_ptr> clone() const = 0; virtual ~FunctionInterface() = default; }; //----------------------------------------------------------------- // CRTP mixin that supplies the full interface from a simplified operator()(). // The derived class must implement one of the following simplified methods: // - For DifferentiabilityMode::None: double operator()(const VectorType &x) // const; // - For DifferentiabilityMode::First: double operator()(const VectorType &x, // VectorType *grad) const; // - For DifferentiabilityMode::Second: double operator()(const VectorType &x, // VectorType *grad, MatrixType *hess) const; template struct FunctionCRTP : public FunctionInterface { static constexpr int Dimension = TDimension; using ScalarType = TScalar; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; virtual TScalar operator()(const VectorType &x, VectorType *grad = nullptr, MatrixType *hess = nullptr) const override { if constexpr (TMode == DifferentiabilityMode::None) { return static_cast(this)->operator()(x); } else if constexpr (TMode == DifferentiabilityMode::First) { if (hess) { throw std::runtime_error( "Hessian not available for first order function."); } return static_cast(this)->operator()(x, grad); } else { // DifferentiabilityMode::Second return static_cast(this)->operator()(x, grad, hess); } } virtual std::unique_ptr> clone() const override { return std::make_unique(static_cast(*this)); } }; //----------------------------------------------------------------- // FunctionExpr type erasure wrapper. template struct FunctionExpr { static constexpr int Dimension = TDimension; using ScalarType = TScalar; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; std::unique_ptr> ptr; // Converting constructor: accepts any expression type by const reference, // provided it's not already an FunctionExpr. template , FunctionExpr>>> FunctionExpr(const F &f) : ptr(f.clone()) { static_assert(F::Differentiability == TMode, "Differentiability mode mismatch"); static_assert(F::Dimension == TDimension, "Dimension mismatch"); static_assert(std::is_same::value, "Compile-time scalar-type mismatch"); } // Copy constructor. FunctionExpr(const FunctionExpr &other) : ptr(other.ptr ? other.ptr->clone() : nullptr) {} // Copy assignment. FunctionExpr &operator=(const FunctionExpr &other) { if (this != &other) ptr = other.ptr ? other.ptr->clone() : nullptr; return *this; } // Default move constructor/assignment. FunctionExpr(FunctionExpr &&) noexcept = default; FunctionExpr &operator=(FunctionExpr &&) noexcept = default; // Call operator. ScalarType operator()(const VectorType &x, VectorType *grad = nullptr, MatrixType *hess = nullptr) const { return (*ptr)(x, grad, hess); } }; // Deduction guide for FunctionExpr. template FunctionExpr(const Expr &) -> FunctionExpr; // template // FunctionExpr(const Expr &expr) { // // Use SFINAE to ensure that Expr meets the necessary interface. // static_assert(std::is_convertible())), // typename // FunctionExpr::ScalarType>::value, // "Expression does not meet required interface"); // ptr = expr.clone(); // Assuming your expressions have a clone() method. // } template struct FunctionState { static constexpr int NumConstraints = 0; using VectorType = Eigen::Matrix; VectorType x; explicit FunctionState(VectorType x) : x(x) {} }; template FunctionState(Eigen::Matrix) -> FunctionState; } // namespace cppoptlib::function #endif // INCLUDE_CPPOPTLIB_FUNCTION_BASE_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/function_expressions.h000066400000000000000000000467771516317240700337640ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_FUNCTION_EXPRESSIONS_H_ #define INCLUDE_CPPOPTLIB_FUNCTION_EXPRESSIONS_H_ #include #include #include #include #include #include namespace cppoptlib::function { //----------------------------------------------------------------- // Expression Templates for Binary Operations. // These also derive from the unified interface. // ConstExpression: a constant function. // We use DifferentiabilityMode::Second so that grad and hess are always // provided. template struct ConstExpression : public FunctionInterface { static constexpr int Dimension = TDimension; using ScalarType = TScalar; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; TScalar c; explicit ConstExpression(TScalar c_) : c(c_) {} virtual TScalar operator()(const VectorType& x, VectorType* grad = nullptr, MatrixType* hess = nullptr) const override { (void)x; if (grad) { *grad = VectorType::Zero(x.size()); } if (hess) { *hess = MatrixType::Zero(x.size(), x.size()); } return c; } virtual std::unique_ptr> clone() const override { return std::make_unique>(c); } }; // Helper to compute the minimum differentiability mode. template struct MinDifferentiability { static constexpr DifferentiabilityMode value = (static_cast(F::Differentiability) < static_cast(G::Differentiability) ? F::Differentiability : G::Differentiability); }; // Meta-function to compute the minimum differentiability mode. template struct MinDifferentiabilityMode { static constexpr DifferentiabilityMode value = (static_cast(A) < static_cast(B) ? A : B); }; // Addition Expression. template ::value> struct AddExpression : public FunctionInterface { static_assert( F::Dimension == G::Dimension, "Compile-time dimension mismatch: F and G must have the same dimension."); static_assert( std::is_same::value, "Compile-time scalar-type mismatch: F and G must have the same scalar " "type."); static constexpr int Dimension = F::Dimension; using ScalarType = typename F::ScalarType; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; F f; G g; AddExpression(const F& f_, const G& g_) : f(f_), g(g_) {} virtual ScalarType operator()( const VectorType& x, [[maybe_unused]] VectorType* grad = nullptr, [[maybe_unused]] MatrixType* hess = nullptr) const override { if constexpr (TMode == DifferentiabilityMode::None) { return f(x) + g(x); } else if constexpr (TMode == DifferentiabilityMode::First) { VectorType grad_f(x.size()), grad_g(x.size()); ScalarType fx_f = f(x, &grad_f); ScalarType fx_g = g(x, &grad_g); if (grad) { *grad = grad_f + grad_g; } return fx_f + fx_g; } else { // Second VectorType grad_f(x.size()), grad_g(x.size()); MatrixType hess_f(x.size(), x.size()), hess_g(x.size(), x.size()); ScalarType fx_f = f(x, &grad_f, &hess_f); ScalarType fx_g = g(x, &grad_g, &hess_g); if (grad) { *grad = grad_f + grad_g; } if (hess) { *hess = hess_f + hess_g; } return fx_f + fx_g; } } virtual std::unique_ptr> clone() const override { return std::make_unique>(f, g); } }; // Subtraction Expression. template ::value> struct SubExpression : public FunctionInterface { static_assert( F::Dimension == G::Dimension, "Compile-time dimension mismatch: F and G must have the same dimension."); static_assert( std::is_same::value, "Compile-time scalar-type mismatch: F and G must have the same scalar " "type."); static constexpr int Dimension = F::Dimension; using ScalarType = typename F::ScalarType; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; F f; G g; SubExpression(const F& f_, const G& g_) : f(f_), g(g_) {} virtual ScalarType operator()(const VectorType& x, VectorType* grad = nullptr, MatrixType* hess = nullptr) const override { if constexpr (TMode == DifferentiabilityMode::None) { return f(x) - g(x); } else if constexpr (TMode == DifferentiabilityMode::First) { VectorType grad_f(x.size()), grad_g(x.size()); ScalarType fx_f = f(x, &grad_f); ScalarType fx_g = g(x, &grad_g); if (grad) { *grad = grad_f - grad_g; } return fx_f - fx_g; } else { // Second VectorType grad_f(x.size()), grad_g(x.size()); MatrixType hess_f(x.size(), x.size()), hess_g(x.size(), x.size()); ScalarType fx_f = f(x, &grad_f, &hess_f); ScalarType fx_g = g(x, &grad_g, &hess_g); if (grad) { *grad = grad_f - grad_g; } if (hess) { *hess = hess_f - hess_g; } return fx_f - fx_g; } } virtual std::unique_ptr> clone() const override { return std::make_unique>(f, g); } }; // Multiplication by a Constant Expression. template struct MulExpression : public FunctionInterface { static_assert( std::is_same::value, "Compile-time scalar-type mismatch: F and c must have the same scalar " "type."); static constexpr int Dimension = F::Dimension; using ScalarType = typename F::ScalarType; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; TScalar c; F f; MulExpression(const TScalar& c_, const F& f_) : c(c_), f(f_) {} virtual ScalarType operator()(const VectorType& x, VectorType* grad = nullptr, MatrixType* hess = nullptr) const override { if (c == TScalar(0)) { if (grad) { *grad = VectorType::Zero(x.size()); } if (hess) { *hess = MatrixType::Zero(x.size(), x.size()); } return TScalar(0); } if constexpr (TMode == DifferentiabilityMode::None) { return c * f(x); } else if constexpr (TMode == DifferentiabilityMode::First) { VectorType grad_f(x.size()); ScalarType fx = f(x, &grad_f); if (grad) { *grad = c * grad_f; } return c * fx; } else { // Second VectorType grad_f(x.size()); MatrixType hess_f(x.size(), x.size()); ScalarType fx = f(x, &grad_f, &hess_f); if (grad) { *grad = c * grad_f; } if (hess) { *hess = c * hess_f; } return c * fx; } } virtual std::unique_ptr> clone() const override { return std::make_unique>(c, f); } }; //------------------------------------------------------------- // Product Expression: represents the product of two functions. template ::value> struct ProdExpression : public FunctionInterface { static_assert( F::Dimension == G::Dimension, "Compile-time dimension mismatch: F and G must have the same dimension."); static_assert( std::is_same::value, "Compile-time scalar-type mismatch: F and G must have the same scalar " "type."); static constexpr int Dimension = F::Dimension; using ScalarType = typename F::ScalarType; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = TMode; F f; G g; ProdExpression(const F& f_, const G& g_) : f(f_), g(g_) {} virtual ScalarType operator()(const VectorType& x, VectorType* grad = nullptr, MatrixType* hess = nullptr) const override { if constexpr (TMode == DifferentiabilityMode::None) { return f(x) * g(x); } else if constexpr (TMode == DifferentiabilityMode::First) { VectorType grad_f(x.size()), grad_g(x.size()); ScalarType fx = f(x, &grad_f); ScalarType gx = g(x, &grad_g); if (grad) { // Product rule: (f*g)' = f'*g + f*g' *grad = gx * grad_f + fx * grad_g; } return fx * gx; } else { // Second order VectorType grad_f(x.size()), grad_g(x.size()); MatrixType hess_f(x.size(), x.size()), hess_g(x.size(), x.size()); ScalarType fx = f(x, &grad_f, &hess_f); ScalarType gx = g(x, &grad_g, &hess_g); if (grad) { *grad = gx * grad_f + fx * grad_g; } if (hess) { // Hessian: f''*g + f'*g' (symmetric) + f*g'' *hess = gx * hess_f + fx * hess_g + grad_f * grad_g.transpose() + grad_g * grad_f.transpose(); } return fx * gx; } } virtual std::unique_ptr> clone() const override { return std::make_unique>(f, g); } }; // --- Helper Expression for min{0, f(x)} template struct MinZeroExpression : public FunctionInterface { static constexpr int Dimension = F::Dimension; using ScalarType = typename F::ScalarType; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = F::Differentiability; F f; explicit MinZeroExpression(const F& f_) : f(f_) {} virtual ScalarType operator()(const VectorType& x, VectorType* grad = nullptr, MatrixType* hess = nullptr) const override { if constexpr (Differentiability == DifferentiabilityMode::None) { ScalarType val = f(x); // Use ConstExpression to return zero (with zero derivatives) if inactive. return (val >= 0) ? ConstExpression( ScalarType(0))(x) : val; } else { ScalarType val = f(x, grad, hess); if (val >= 0) { // Return a constant zero value along with zero gradient/Hessian. return ConstExpression( ScalarType(0))(x, grad, hess); } else { return val; } } } virtual std::unique_ptr< FunctionInterface> clone() const override { return std::make_unique>(f); } }; // --- Helper Expression for max{0, f(x)} template struct MaxZeroExpression : public FunctionInterface { static constexpr int Dimension = F::Dimension; using ScalarType = typename F::ScalarType; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; static constexpr DifferentiabilityMode Differentiability = F::Differentiability; F f; explicit MaxZeroExpression(const F& f_) : f(f_) {} virtual ScalarType operator()(const VectorType& x, VectorType* grad = nullptr, MatrixType* hess = nullptr) const override { if constexpr (Differentiability == DifferentiabilityMode::None) { ScalarType val = f(x); return (val <= 0) ? ConstExpression( ScalarType(0))(x) : val; } else { ScalarType val = f(x, grad, hess); if (val <= 0) { return ConstExpression( ScalarType(0))(x, grad, hess); } else { return val; } } } virtual std::unique_ptr< FunctionInterface> clone() const override { return std::make_unique>(f); } }; // For addition. // template > auto operator+(const F& f, const G& g) { static_assert( std::is_same::value, "ScalarType must match in addition."); static_assert( F::Dimension == G::Dimension, "Dimension mismatch: F and G must have the same compile-time dimension."); constexpr auto TMode = MinDifferentiability::value; return AddExpression(f, g); } // For subtraction. template > auto operator-(const F& f, const G& g) { static_assert( std::is_same::value, "ScalarType must match in addition."); static_assert( F::Dimension == G::Dimension, "Dimension mismatch: F and G must have the same compile-time dimension."); constexpr auto TMode = MinDifferentiability::value; return SubExpression(f, g); } // For multiplication (F * c and c * F). template auto operator*(const F& f, const typename F::ScalarType& c) -> MulExpression { using ScalarType = typename F::ScalarType; // Always return a MulExpression. Inside its operator() you can check if c==0. return MulExpression(c, f); } template auto operator*(const typename F::ScalarType& c, const F& f) -> MulExpression { using ScalarType = typename F::ScalarType; return MulExpression(c, f); } //------------------------------------------------------------- // Free operator overload for the product of two functions. template > auto operator*(const F& f, const G& g) { static_assert( std::is_same::value, "ScalarType must match in addition."); static_assert( F::Dimension == G::Dimension, "Dimension mismatch: F and G must have the same compile-time dimension."); constexpr auto TMode = MinDifferentiability::value; return ProdExpression(f, g); } // Unary minus: returns a MulExpression representing (-1)*f. template auto operator-(const F& f) -> MulExpression { return (-1) * f; } // Overload for adding a constant scalar to a function (f + c). template auto operator+(const F& f, const typename F::ScalarType& c) -> AddExpression< F, ConstExpression, F::Differentiability> { using ScalarType = typename F::ScalarType; ConstExpression c_expr(c); return AddExpression< F, ConstExpression, F::Differentiability>(f, c_expr); } // Overload for adding a function to a constant scalar (c + f). template auto operator+(const typename F::ScalarType& c, const F& f) -> AddExpression< ConstExpression, F, F::Differentiability> { using ScalarType = typename F::ScalarType; ConstExpression c_expr(c); return AddExpression< ConstExpression, F, F::Differentiability>(c_expr, f); } // Overload for subtracting a constant scalar from a function (f - c). template auto operator-(const F& f, const typename F::ScalarType& c) { using ScalarType = typename F::ScalarType; // Create a constant expression for the scalar. ConstExpression c_expr(c); // Combine f and c_expr using SubExpression. return SubExpression< F, ConstExpression, F::Differentiability>(f, c_expr); } // Overload for subtracting a function from a constant scalar (c - f). template auto operator-(const typename F::ScalarType& c, const F& f) { using ScalarType = typename F::ScalarType; // Create a constant expression for the scalar. ConstExpression c_expr(c); // Combine c_expr and f using SubExpression. return SubExpression< ConstExpression, F, F::Differentiability>(c_expr, f); } } // namespace cppoptlib::function #endif // INCLUDE_CPPOPTLIB_FUNCTION_EXPRESSIONS_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/function_penalty.h000066400000000000000000000200071516317240700330300ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_FUNCTION_PENALTY_H_ #define INCLUDE_CPPOPTLIB_FUNCTION_PENALTY_H_ #include #include #include #include "function_problem.h" namespace cppoptlib::function { //------------------------------------------------------------- // Equality penalty: P(x) = 0.5 * [f(x) - g(x)]^2 template auto quadraticEqualityPenalty(const F &c) { return 0.5 * (c * c); } //------------------------------------------------------------- // Inequality penalty for constraint c(x) >= 0: // P(x) = 0.5 * [min{0, c(x)}]^2. When c(x) >= 0 the penalty is zero. template auto quadraticInequalityPenalty_ge(const F &c) { auto minExpr = MinZeroExpression(c); return 0.5 * (minExpr * minExpr); } //------------------------------------------------------------- // Inequality penalty for constraint c(x) < 0: // P(x) = 0.5 * [max{0, c(x)}]^2. When c(x) < 0 the penalty is zero. template auto quadraticInequalityPenalty_lt(const F &c) { auto maxExpr = MaxZeroExpression(c); return 0.5 * (maxExpr * maxExpr); } // State for Lagrange multipliers (one per constraint type). template struct LagrangeMultiplierState { std::vector equality_multipliers; // For equality constraints. std::vector inequality_multipliers; // For inequality constraints. // Constructor: initializes multipliers with zeros. LagrangeMultiplierState(size_t num_eq = 0, size_t num_ineq = 0, TScalar value = TScalar{0}) : equality_multipliers(num_eq, value), inequality_multipliers(num_ineq, value) {} LagrangeMultiplierState(std::initializer_list eq, std::initializer_list ineq) : equality_multipliers(eq), inequality_multipliers(ineq) {} }; // State for a single penalty scalar. template struct PenaltyState { TScalar penalty; // Constructor: initializes the penalty value. explicit PenaltyState(TScalar pen = TScalar(0)) : penalty(pen) {} }; // --- Forming the Lagrangian Part (without the objective) --- // This function sums the multiplier-weighted constraints: // LagrangianPart(x) = Σ_i [ multiplier_i * c_i(x) ] template FunctionExpr::value, TDim> FormLagrangianPart(const ConstrainedOptimizationProblem &prob, const LagrangeMultiplierState &mult_state) { static constexpr DifferentiabilityMode Differentiability = ConstrainedOptimizationProblem::Differentiability; // Initialize to the zero function. FunctionExpr lagrangianPart = ConstExpression(0); // Sum contributions from equality constraints. for (size_t i = 0; i < prob.equality_constraints.size(); i++) { lagrangianPart = lagrangianPart + mult_state.equality_multipliers[i] * prob.equality_constraints[i]; } // Sum contributions from inequality constraints. for (size_t i = 0; i < prob.inequality_constraints.size(); i++) { lagrangianPart = lagrangianPart + mult_state.inequality_multipliers[i] * prob.inequality_constraints[i]; } return lagrangianPart; } // --- Forming the Penalty Part (without the objective) --- // This function sums the penalty terms for all constraints: // PenaltyPart(x) = Σ_i [ penalty * P_i(x) ] template FunctionExpr::value, TDim> FormPenaltyPart(const ConstrainedOptimizationProblem &prob, const PenaltyState &pen_state) { static constexpr DifferentiabilityMode Differentiability = ConstrainedOptimizationProblem::Differentiability; // Initialize to the zero function. FunctionExpr penaltyPart = ConstExpression(0); // Process equality constraints. for (size_t i = 0; i < prob.equality_constraints.size(); i++) { const auto &constr = prob.equality_constraints[i]; auto penaltyExpr = quadraticEqualityPenalty(constr); penaltyPart = penaltyPart + pen_state.penalty * penaltyExpr; } // Process inequality constraints. for (size_t i = 0; i < prob.inequality_constraints.size(); i++) { const auto &constr = prob.inequality_constraints[i]; auto penaltyExpr = quadraticInequalityPenalty_ge(constr); penaltyPart = penaltyPart + pen_state.penalty * penaltyExpr; } return penaltyPart; } // --- Forming the Penalty --- // L_aug(x) = f(x) + PenaltyPart(x) template FunctionExpr::value, TDim> ToPenalty(const ConstrainedOptimizationProblem &prob, const PenaltyState &pen_state) { return prob.objective + FormPenaltyPart(prob, pen_state); } // --- Forming the Full Augmented Lagrangian --- // L_aug(x) = f(x) + LagrangianPart(x) + PenaltyPart(x) template FunctionExpr::value, TDim> ToAugmentedLagrangian( const ConstrainedOptimizationProblem &prob, const LagrangeMultiplierState &mult_state, const PenaltyState &pen_state) { return prob.objective + FormLagrangianPart(prob, mult_state) + FormPenaltyPart(prob, pen_state); } } // namespace cppoptlib::function #endif // INCLUDE_CPPOPTLIB_FUNCTION_PENALTY_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/function_problem.h000066400000000000000000000101221516317240700330110ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_FUNCTION_PROBLEM_H_ #define INCLUDE_CPPOPTLIB_FUNCTION_PROBLEM_H_ #include #include #include #include "function_problem.h" namespace cppoptlib::function { // ConstrainedOptimizationProblem represents a constrained optimization problem: // minimize f(x) // subject to: c(x) == 0 and c(x) >= 0 // template struct ConstrainedOptimizationProblem { static constexpr int Dimension = TDimension; using ScalarType = TScalar; using VectorType = Eigen::Matrix; using MatrixType = Eigen::Matrix; using ObjectiveFunctionType = FunctionExpr; using ConstraintFunctionType = FunctionExpr; static constexpr DifferentiabilityMode Differentiability = MinDifferentiabilityMode::value; const FunctionExpr objective; // f(x) const std::vector> equality_constraints; // c(x) == 0 const std::vector> inequality_constraints; // c(x) >= 0 ConstrainedOptimizationProblem( const FunctionExpr obj, const std::vector> eq_constraints = {}, const std::vector> ineq_constraints = {}) : objective(std::move(obj)), equality_constraints(std::move(eq_constraints)), inequality_constraints(std::move(ineq_constraints)) {} }; // Deduction guide for two-argument constructor using an initializer list for // equality constraints. template ConstrainedOptimizationProblem( const FunctionExpr &, std::initializer_list>) -> ConstrainedOptimizationProblem; // Deduction guide for three-argument constructor using initializer lists. template ConstrainedOptimizationProblem( const FunctionExpr &, std::initializer_list>, std::initializer_list>) -> ConstrainedOptimizationProblem; } // namespace cppoptlib::function #endif // INCLUDE_CPPOPTLIB_FUNCTION_PROBLEM_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/linesearch/000077500000000000000000000000001516317240700314145ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/linesearch/armijo.h000066400000000000000000000076761516317240700330660ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_LINESEARCH_ARMIJO_H_ #define INCLUDE_CPPOPTLIB_LINESEARCH_ARMIJO_H_ namespace cppoptlib::solver::linesearch { template class Armijo { public: using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; /** * @brief use Armijo Rule for (weak) Wolfe conditiions * @details [long description] * * @param search_direction search direction for next update step * @param function handle to problem * * @return step-width */ static ScalarType Search(const VectorType &x, const VectorType &search_direction, const FunctionType &function, const ScalarType alpha_init = 1.0) { constexpr ScalarType c = 0.2; constexpr ScalarType rho = 0.9; ScalarType alpha = alpha_init; VectorType gradient; const ScalarType f_in = function(x, &gradient); ScalarType f = function(x + alpha * search_direction); const ScalarType cache = c * gradient.dot(search_direction); constexpr ScalarType alpha_min = ScalarType{1e-8}; while (f > f_in + alpha * cache && alpha > alpha_min) { alpha *= rho; f = function(x + alpha * search_direction); } return alpha; } }; template class Armijo { public: using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using MatrixType = typename FunctionType::MatrixType; /** * @brief use Armijo Rule for (weak) Wolfe conditiions * @details [long description] * * @param search_direction search direction for next update step * @param function handle to problem * * @return step-width */ static ScalarType Search(const VectorType &x, const VectorType &search_direction, const FunctionType &function) { constexpr ScalarType c = 0.2; constexpr ScalarType rho = 0.9; ScalarType alpha = 1.0; VectorType gradient; MatrixType hessian; const ScalarType f_in = function(x, &gradient, &hessian); ScalarType f = function(x + alpha * search_direction); const ScalarType cache = c * gradient.dot(search_direction) + 0.5 * c * c * search_direction.transpose() * hessian * search_direction; while (f > f_in + alpha * cache) { alpha *= rho; f = function(x + alpha * search_direction); } return alpha; } }; } // namespace cppoptlib::solver::linesearch #endif // INCLUDE_CPPOPTLIB_LINESEARCH_ARMIJO_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/linesearch/more_thuente.h000066400000000000000000000252661516317240700342760ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_LINESEARCH_MORE_THUENTE_H_ #define INCLUDE_CPPOPTLIB_LINESEARCH_MORE_THUENTE_H_ #include #include namespace cppoptlib::solver::linesearch { template class MoreThuente { public: using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; /** * @brief use MoreThuente Rule for (strong) Wolfe conditiions * @details [long description] * * @param search_direction search direction for next update step * @param function handle to problem * * @return step-width */ static ScalarType Search(const VectorType &x, const VectorType &search_direction, const FunctionType &function, const ScalarType alpha_init = 1.0) { ScalarType alpha = alpha_init; VectorType g; const ScalarType v = function(x, &g); VectorType s = search_direction.eval(); VectorType xx = x; cvsrch(function, &xx, v, &g, &alpha, s); return alpha; } static int cvsrch(const FunctionType &function, VectorType *x, ScalarType f, VectorType *g, ScalarType *stp, const VectorType &s) { // we rewrite this from MIN-LAPACK and some MATLAB code int info = 0; int infoc = 1; constexpr ScalarType xtol = 1e-15; constexpr ScalarType ftol = 1e-4; constexpr ScalarType gtol = 1e-2; constexpr ScalarType stpmin = 1e-15; constexpr ScalarType stpmax = 1e15; constexpr ScalarType xtrapf = 4; constexpr int maxfev = 20; int nfev = 0; ScalarType dginit = g->dot(s); if (dginit >= 0.0) { // There is no descent direction. // TODO(patwie): Handle this case. return -1; } bool brackt = false; bool stage1 = true; ScalarType finit = f; ScalarType dgtest = ftol * dginit; ScalarType width = stpmax - stpmin; ScalarType width1 = 2 * width; VectorType wa = x->eval(); ScalarType stx = 0.0; ScalarType fx = finit; ScalarType dgx = dginit; ScalarType sty = 0.0; ScalarType fy = finit; ScalarType dgy = dginit; ScalarType stmin; ScalarType stmax; while (true) { // Make sure we stay in the interval when setting min/max-step-width. if (brackt) { stmin = std::min(stx, sty); stmax = std::max(stx, sty); } else { stmin = stx; stmax = *stp + xtrapf * (*stp - stx); } // Force the step to be within the bounds stpmax and stpmin. *stp = std::clamp(*stp, stpmin, stpmax); // Oops, let us return the last reliable values. if ((brackt && ((*stp <= stmin) || (*stp >= stmax))) || (nfev >= maxfev - 1) || (infoc == 0) || (brackt && ((stmax - stmin) <= (xtol * stmax)))) { *stp = stx; } // Test new point. *x = wa + *stp * s; f = function(*x, g); nfev++; ScalarType dg = g->dot(s); ScalarType ftest1 = finit + *stp * dgtest; // All possible convergence tests. if ((brackt & ((*stp <= stmin) | (*stp >= stmax))) | (infoc == 0)) info = 6; if ((*stp == stpmax) & (f <= ftest1) & (dg <= dgtest)) info = 5; if ((*stp == stpmin) & ((f > ftest1) | (dg >= dgtest))) info = 4; if (nfev >= maxfev) info = 3; if (brackt & (stmax - stmin <= xtol * stmax)) info = 2; if ((f <= ftest1) & (fabs(dg) <= gtol * (-dginit))) info = 1; // Terminate when convergence reached. if (info != 0) return -1; if (stage1 & (f <= ftest1) & (dg >= std::min(ftol, gtol) * dginit)) stage1 = false; if (stage1 & (f <= fx) & (f > ftest1)) { ScalarType fm = f - *stp * dgtest; ScalarType fxm = fx - stx * dgtest; ScalarType fym = fy - sty * dgtest; ScalarType dgm = dg - dgtest; ScalarType dgxm = dgx - dgtest; ScalarType dgym = dgy - dgtest; cstep(stx, fxm, dgxm, sty, fym, dgym, *stp, fm, dgm, brackt, stmin, stmax, infoc); fx = fxm + stx * dgtest; fy = fym + sty * dgtest; dgx = dgxm + dgtest; dgy = dgym + dgtest; } else { // This is ugly and some variables should be moved to the class scope. cstep(stx, fx, dgx, sty, fy, dgy, *stp, f, dg, brackt, stmin, stmax, infoc); } if (brackt) { if (fabs(sty - stx) >= 0.66 * width1) { *stp = stx + 0.5 * (sty - stx); } width1 = width; width = fabs(sty - stx); } } return 0; } // TODO(patwie): cpplint prefers pointers here, but this would make the code // unreadable. As these are all changing values a configuration structure // would be helpful. static int cstep(ScalarType &stx, ScalarType &fx, ScalarType &dx, // NOLINT ScalarType &sty, // NOLINT ScalarType &fy, ScalarType &dy, ScalarType &stp, // NOLINT ScalarType &fp, // NOLINT ScalarType &dp, bool &brackt, ScalarType &stpmin, // NOLINT ScalarType &stpmax, int &info) { // NOLINT info = 0; bool bound = false; // Check the input parameters for errors. if ((brackt && ((stp <= std::min(stx, sty)) || (stp >= std::max(stx, sty)))) || (dx * (stp - stx) >= 0.0) || (stpmax < stpmin)) { return -1; } ScalarType sgnd = dp * (dx / fabs(dx)); ScalarType stpf = 0; ScalarType stpc = 0; ScalarType stpq = 0; if (fp > fx) { info = 1; bound = true; ScalarType theta = 3. * (fx - fp) / (stp - stx) + dx + dp; ScalarType s = max_abs(theta, dx, dp); ScalarType gamma = s * sqrt((theta / s) * (theta / s) - (dx / s) * (dp / s)); if (stp < stx) gamma = -gamma; ScalarType p = (gamma - dx) + theta; ScalarType q = ((gamma - dx) + gamma) + dp; ScalarType r = p / q; stpc = stx + r * (stp - stx); stpq = stx + ((dx / ((fx - fp) / (stp - stx) + dx)) / 2.) * (stp - stx); if (fabs(stpc - stx) < fabs(stpq - stx)) stpf = stpc; else stpf = stpc + (stpq - stpc) / 2; brackt = true; } else if (sgnd < 0.0) { info = 2; bound = false; ScalarType theta = 3 * (fx - fp) / (stp - stx) + dx + dp; ScalarType s = max_abs(theta, dx, dp); ScalarType gamma = s * sqrt((theta / s) * (theta / s) - (dx / s) * (dp / s)); if (stp > stx) gamma = -gamma; ScalarType p = (gamma - dp) + theta; ScalarType q = ((gamma - dp) + gamma) + dx; ScalarType r = p / q; stpc = stp + r * (stx - stp); stpq = stp + (dp / (dp - dx)) * (stx - stp); if (fabs(stpc - stp) > fabs(stpq - stp)) stpf = stpc; else stpf = stpq; brackt = true; } else if (fabs(dp) < fabs(dx)) { info = 3; bound = true; ScalarType theta = 3 * (fx - fp) / (stp - stx) + dx + dp; ScalarType s = max_abs(theta, dx, dp); ScalarType gamma = s * sqrt(std::max( static_cast(0.), (theta / s) * (theta / s) - (dx / s) * (dp / s))); if (stp > stx) gamma = -gamma; ScalarType p = (gamma - dp) + theta; ScalarType q = (gamma + (dx - dp)) + gamma; ScalarType r = p / q; if ((r < 0.0) & (gamma != 0.0)) { stpc = stp + r * (stx - stp); } else if (stp > stx) { stpc = stpmax; } else { stpc = stpmin; } stpq = stp + (dp / (dp - dx)) * (stx - stp); if (brackt) { if (fabs(stp - stpc) < fabs(stp - stpq)) { stpf = stpc; } else { stpf = stpq; } } else { if (fabs(stp - stpc) > fabs(stp - stpq)) { stpf = stpc; } else { stpf = stpq; } } } else { info = 4; bound = false; if (brackt) { ScalarType theta = 3 * (fp - fy) / (sty - stp) + dy + dp; ScalarType s = max_abs(theta, dy, dp); ScalarType gamma = s * sqrt((theta / s) * (theta / s) - (dy / s) * (dp / s)); if (stp > sty) gamma = -gamma; ScalarType p = (gamma - dp) + theta; ScalarType q = ((gamma - dp) + gamma) + dy; ScalarType r = p / q; stpc = stp + r * (sty - stp); stpf = stpc; } else if (stp > stx) { stpf = stpmax; } else { stpf = stpmin; } } if (fp > fx) { sty = stp; fy = fp; dy = dp; } else { if (sgnd < 0.0) { sty = stx; fy = fx; dy = dx; } stx = stp; fx = fp; dx = dp; } stpf = std::clamp(stpf, stpmin, stpmax); stp = stpf; if (brackt & bound) { if (sty > stx) { stp = std::min( stx + static_cast(0.66) * (sty - stx), stp); } else { stp = std::max( stx + static_cast(0.66) * (sty - stx), stp); } } return 0; } static ScalarType max_abs(ScalarType x, ScalarType y, ScalarType z) { return std::max(std::abs(x), std::max(std::abs(y), std::abs(z))); } }; } // namespace cppoptlib::solver::linesearch #endif // INCLUDE_CPPOPTLIB_LINESEARCH_MORE_THUENTE_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/000077500000000000000000000000001516317240700306115ustar00rootroot00000000000000augmented_lagrangian.h000066400000000000000000000156141516317240700350460ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_AUGMENTED_LAGRANGIAN_H_ #define INCLUDE_CPPOPTLIB_SOLVER_AUGMENTED_LAGRANGIAN_H_ #include #include "../function_penalty.h" #include "../function_problem.h" #include "Eigen/Core" #include "solver.h" namespace cppoptlib::solver { template struct AugmentedLagrangeState { static constexpr int NumConstraints = 1; using VectorType = Eigen::Matrix; VectorType x; TScalar max_violation; // State for Lagrange multipliers. cppoptlib::function::LagrangeMultiplierState multiplier_state; // State for the penalty parameter. cppoptlib::function::PenaltyState penalty_state; // Constructor #1: Construct from an initial guess, custom initializer lists // for equality and inequality multipliers, and a penalty value. // // Usage: // AugmentedLagrangeState state(x, {0.0}, {0.0}, 1.0); AugmentedLagrangeState(const VectorType &init_x, std::initializer_list eq_multipliers, std::initializer_list ineq_multipliers, TScalar penalty) : x(init_x), multiplier_state(eq_multipliers, ineq_multipliers), penalty_state(penalty), max_violation(0) {} // Constructor #2: Construct from an initial guess, numbers of equality and // inequality constraints (multipliers will be zero-initialized), and an // optional penalty value. // // Usage: // AugmentedLagrangeState state(x, 1, 1, 1.0); AugmentedLagrangeState(const VectorType &init_x, size_t num_eq, size_t num_ineq, TScalar penalty = TScalar(1)) : x(init_x), multiplier_state(num_eq, num_ineq, TScalar(0)), penalty_state(penalty), max_violation(0) {} }; template class AugmentedLagrangian : public Solver> { static_assert(ProblemType::Differentiability == cppoptlib::function::DifferentiabilityMode::First || ProblemType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "AugmentedLagrangian only supports first- or second-order " "differentiable functions"); public: using StateType = AugmentedLagrangeState; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename ProblemType::ScalarType; using VectorType = typename ProblemType::VectorType; using MatrixType = typename ProblemType::MatrixType; EIGEN_MAKE_ALIGNED_OPERATOR_NEW AugmentedLagrangian(const solver_t &unconstrained_solver) : unconstrained_solver_(unconstrained_solver) {} AugmentedLagrangian(const ProblemType & /*problem*/, const solver_t &unconstrained_solver) : unconstrained_solver_(unconstrained_solver) {} void InitializeSolver(const ProblemType & /*function*/, const StateType & /*initial_state*/) override {} StateType OptimizationStep(const ProblemType &function, const StateType &state, const ProgressType & /*progress*/) override { const auto unconstrained_function = cppoptlib::function::ToAugmentedLagrangian( function, state.multiplier_state, state.penalty_state); const auto [solved_inner_state, inner_progress] = unconstrained_solver_.Minimize( unconstrained_function, cppoptlib::function::FunctionState( state.x)); StateType next_state = StateType(state); next_state.x = solved_inner_state.x; float max_violation = 0.0f; // Lambda to update multipliers for a set of constraints. auto updateMultipliers = [&](const auto &constraints, auto &multipliers, auto penaltyFn) { for (size_t i = 0; i < constraints.size(); ++i) { const auto &constr = constraints[i]; auto penaltyExpr = penaltyFn(constr); ScalarType violation = penaltyExpr(next_state.x); max_violation = std::max(max_violation, violation); multipliers[i] += next_state.penalty_state.penalty * violation; } }; // Update multipliers for equality constraints. updateMultipliers( function.equality_constraints, next_state.multiplier_state.equality_multipliers, [](const auto &c) { return quadraticEqualityPenalty(c); }); // Update multipliers for inequality constraints. updateMultipliers( function.inequality_constraints, next_state.multiplier_state.inequality_multipliers, [](const auto &c) { return quadraticInequalityPenalty_ge(c); }); next_state.penalty_state.penalty = state.penalty_state.penalty * 10; next_state.max_violation = max_violation; return next_state; } private: solver_t unconstrained_solver_; }; template AugmentedLagrangian(const ProblemType &, const solver_t &) -> AugmentedLagrangian; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_AUGMENTED_LAGRANGIAN_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/bfgs.h000066400000000000000000000106721516317240700317110ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_BFGS_H_ #define INCLUDE_CPPOPTLIB_SOLVER_BFGS_H_ #include #include "../linesearch/more_thuente.h" #include "Eigen/Core" #include "solver.h" // NOLINT namespace cppoptlib::solver { template class Bfgs : public Solver> { static_assert(FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::First || FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "Bfgs only supports first- or second-order " "differentiable functions"); public: using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using MatrixType = typename FunctionType::MatrixType; EIGEN_MAKE_ALIGNED_OPERATOR_NEW using Superclass::Superclass; void InitializeSolver(const FunctionType & /*function*/, const StateType &initial_state) override { dim_ = initial_state.x.rows(); inverse_hessian_ = MatrixType::Identity(initial_state.x.rows(), initial_state.x.rows()); } StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType & /*progress*/) override { VectorType current_gradient; function(current.x, ¤t_gradient); VectorType search_direction = -inverse_hessian_ * current_gradient; // If not positive definite re-initialize Hessian. const ScalarType phi = current_gradient.dot(search_direction); if ((phi > 0) || std::isnan(phi)) { // no, we reset the hessian approximation inverse_hessian_ = MatrixType::Identity(dim_, dim_); search_direction = -current_gradient; } const ScalarType rate = linesearch::MoreThuente::Search( current.x, search_direction, function); const StateType next = StateType(current.x + rate * search_direction); VectorType next_gradient; function(next.x, &next_gradient); // Update inverse Hessian estimate. const VectorType s = rate * search_direction; const VectorType y = next_gradient - current_gradient; const ScalarType rho = 1.0 / y.dot(s); inverse_hessian_ = inverse_hessian_ - rho * (s * (y.transpose() * inverse_hessian_) + (inverse_hessian_ * y) * s.transpose()) + rho * (rho * y.dot(inverse_hessian_ * y) + 1.0) * (s * s.transpose()); return next; } private: int dim_; MatrixType inverse_hessian_; }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_BFGS_H_ conjugated_gradient_descent.h000066400000000000000000000074701516317240700364200ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_CONJUGATED_GRADIENT_DESCENT_H_ #define INCLUDE_CPPOPTLIB_SOLVER_CONJUGATED_GRADIENT_DESCENT_H_ #include #include "../linesearch/armijo.h" #include "Eigen/Core" #include "solver.h" // NOLINT namespace cppoptlib::solver { template class ConjugatedGradientDescent : public Solver> { static_assert( FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::First || FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "ConjugatedGradientDescent only supports first- or second-order " "differentiable functions"); public: using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; EIGEN_MAKE_ALIGNED_OPERATOR_NEW using Superclass::Superclass; void InitializeSolver(const FunctionType &function, const StateType &initial_state) override { function(initial_state.x, &previous_gradient_); } StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType &progress) override { VectorType current_gradient; function(current.x, ¤t_gradient); if (progress.num_iterations == 0) { search_direction_ = -current_gradient; } else { const double beta = current_gradient.dot(current_gradient) / (previous_gradient_.dot(previous_gradient_)); search_direction_ = -current_gradient + beta * search_direction_; } previous_gradient_ = current_gradient; const ScalarType rate = linesearch::Armijo::Search( current.x, search_direction_, function); return StateType(current.x + rate * search_direction_); } private: VectorType previous_gradient_; VectorType search_direction_; }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_CONJUGATED_GRADIENT_DESCENT_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/gradient_descent.h000066400000000000000000000064741516317240700342770ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_GRADIENT_DESCENT_H_ #define INCLUDE_CPPOPTLIB_SOLVER_GRADIENT_DESCENT_H_ #include #include "../linesearch/more_thuente.h" #include "Eigen/Core" #include "solver.h" // NOLINT namespace cppoptlib::solver { template class GradientDescent : public Solver> { static_assert(FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::First || FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "GradientDescent only supports first- or second-order " "differentiable functions"); public: using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; EIGEN_MAKE_ALIGNED_OPERATOR_NEW using Superclass::Superclass; void InitializeSolver(const FunctionType & /*function*/, const StateType & /*initial_state*/) override {} StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType & /*progress*/) override { VectorType gradient; function(current.x, &gradient); const ScalarType rate = linesearch::MoreThuente::Search( current.x, -gradient, function); return StateType(current.x - rate * gradient); } }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_GRADIENT_DESCENT_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/lbfgs.h000066400000000000000000000223141516317240700320610ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_LBFGS_H_ #define INCLUDE_CPPOPTLIB_SOLVER_LBFGS_H_ #include #include #include #include "../linesearch/more_thuente.h" #include "Eigen/Core" #include "solver.h" // NOLINT namespace cppoptlib::solver { template class Lbfgs : public Solver> { static_assert( FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::First || FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "L-BFGS only supports first- or second-order differentiable functions"); public: using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using MatrixType = typename FunctionType::MatrixType; private: // Storage for the correction pairs using Eigen matrices. using memory_MatrixType = Eigen::Matrix; using memory_VectorType = Eigen::Matrix; public: EIGEN_MAKE_ALIGNED_OPERATOR_NEW using Superclass::Superclass; void InitializeSolver(const FunctionType & /*function*/, const StateType &initial_state) override { const size_t dim = initial_state.x.rows(); x_diff_memory_ = memory_MatrixType::Zero(dim, m); grad_diff_memory_ = memory_MatrixType::Zero(dim, m); alpha.resize(m); // Reset the circular buffer: mem_count_ = 0; mem_pos_ = 0; scaling_factor_ = 1; } StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType & /*progress*/) override { constexpr ScalarType eps = std::numeric_limits::epsilon(); const ScalarType relative_eps = static_cast(eps) * std::max(ScalarType{1.0}, current.x.norm()); // --- Preconditioning --- // If second-order information is available, use a diagonal preconditioner. VectorType precond = VectorType::Ones(current.x.size()); VectorType current_gradient; if constexpr (FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second) { MatrixType current_hessian; function(current.x, ¤t_gradient, ¤t_hessian); precond = current_hessian.diagonal().cwiseAbs().array() + eps; precond = precond.cwiseInverse(); } else { function(current.x, ¤t_gradient); } // Precondition the gradient. VectorType grad_precond = precond.asDiagonal() * current_gradient; // --- Two-Loop Recursion --- // Start with the preconditioned gradient as the initial search direction. VectorType search_direction = grad_precond; // Determine the number of corrections available for the two-loop recursion. // We exclude the most recent correction (which was just computed) from use. int k = (mem_count_ > 0 ? static_cast(mem_count_) - 1 : 0); // --- First Loop (Backward Pass) --- // Iterate over stored corrections in reverse chronological order. for (int i = k - 1; i >= 0; i--) { // Compute the index in chronological order. // When mem_count_ < m, corrections are stored in order [0 ... // mem_count_-1]. When full, they are stored cyclically starting at // mem_pos_ (oldest) up to (mem_pos_ + m - 1) mod m. int idx = (mem_count_ < m ? i : ((mem_pos_ + i) % m)); const ScalarType denom = x_diff_memory_.col(idx).dot(grad_diff_memory_.col(idx)); if (std::abs(denom) < eps) { continue; } const ScalarType rho = 1.0 / denom; alpha(i) = rho * x_diff_memory_.col(idx).dot(search_direction); search_direction -= alpha(i) * grad_diff_memory_.col(idx); } // Apply the initial Hessian approximation. search_direction *= scaling_factor_; // --- Second Loop (Forward Pass) --- for (int i = 0; i < k; i++) { int idx = (mem_count_ < m ? i : ((mem_pos_ + i) % m)); const ScalarType denom = x_diff_memory_.col(idx).dot(grad_diff_memory_.col(idx)); if (std::abs(denom) < eps) { continue; } const ScalarType rho = 1.0 / denom; const ScalarType beta = rho * grad_diff_memory_.col(idx).dot(search_direction); search_direction += x_diff_memory_.col(idx) * (alpha(i) - beta); } // Check descent direction validity. ScalarType descent_direction = -current_gradient.dot(search_direction); ScalarType alpha_init = (current_gradient.norm() > eps) ? 1.0 / current_gradient.norm() : 1.0; if (!std::isfinite(descent_direction) || descent_direction > -eps * relative_eps) { // Fall back to steepest descent if necessary. search_direction = -current_gradient; // Reset the correction history if the descent is invalid. mem_count_ = 0; mem_pos_ = 0; alpha_init = 1.0; } // Perform a line search. const ScalarType rate = linesearch::MoreThuente::Search( current.x, -search_direction, function, alpha_init); const StateType next = StateType(current.x - rate * search_direction); VectorType next_gradient; function(next.x, &next_gradient); // Compute the differences for the new correction pair. const VectorType x_diff = next.x - current.x; const VectorType grad_diff = next_gradient - current_gradient; // --- Curvature Condition Check with Cautious Update --- // We require: // x_diff.dot(grad_diff) > ||x_diff||^2 * ||current.gradient|| * // cautious_factor_ const ScalarType threshold = x_diff.squaredNorm() * current_gradient.norm() * cautious_factor_; if (x_diff.dot(grad_diff) > threshold) { // Add the new correction pair into the circular buffer. if (mem_count_ < static_cast(m)) { // Still have free space. x_diff_memory_.col(mem_count_) = x_diff; grad_diff_memory_.col(mem_count_) = grad_diff; mem_count_++; } else { // Buffer full; overwrite the oldest correction. x_diff_memory_.col(mem_pos_) = x_diff; grad_diff_memory_.col(mem_pos_) = grad_diff; mem_pos_ = (mem_pos_ + 1) % m; } } // Update the scaling factor (adaptive damping). constexpr ScalarType fallback_value = ScalarType(1e7); const ScalarType grad_diff_norm_sq = grad_diff.dot(grad_diff); if (std::abs(grad_diff_norm_sq) > eps) { ScalarType temp_scaling = grad_diff.dot(x_diff) / grad_diff_norm_sq; if (!std::isfinite(temp_scaling) || std::abs(temp_scaling) > fallback_value) { scaling_factor_ = fallback_value; } else { scaling_factor_ = std::max(temp_scaling, eps); } } else { scaling_factor_ = fallback_value; } return next; } private: memory_MatrixType x_diff_memory_; memory_MatrixType grad_diff_memory_; // Circular buffer state: size_t mem_count_ = 0; // Number of corrections stored so far (max m). size_t mem_pos_ = 0; // Index of the oldest correction in the buffer. memory_VectorType alpha; // Storage for the coefficients in the two-loop recursion. ScalarType scaling_factor_ = 1; // Cautious factor to determine whether to accept a new correction pair. // You may want to expose this parameter or adjust its default value. ScalarType cautious_factor_ = 1e-6; }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_LBFGS_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/lbfgsb.h000066400000000000000000000345631516317240700322340ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_LBFGSB_H_ #define INCLUDE_CPPOPTLIB_SOLVER_LBFGSB_H_ #include #include #include #include #include "../linesearch/more_thuente.h" #include "Eigen/Core" #include "Eigen/LU" #include "solver.h" // NOLINT namespace cppoptlib::solver { template class Lbfgsb : public Solver> { static_assert( FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::First || FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "L-BFGS-B only supports first- or second-order differentiable functions"); public: using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using MatrixType = typename FunctionType::MatrixType; using VectorType = typename FunctionType::VectorType; using dyn_MatrixType = Eigen::Matrix; using dyn_VectorType = Eigen::Matrix; public: EIGEN_MAKE_ALIGNED_OPERATOR_NEW using Superclass::Superclass; void SetBounds(const VectorType &lower_bound, const VectorType &upper_bound) { lower_bound_ = lower_bound; upper_bound_ = upper_bound; bounds_initialized_ = true; } void InitializeSolver(const FunctionType & /*function*/, const StateType &initial_state) override { dim_ = initial_state.x.rows(); if (!bounds_initialized_) { lower_bound_ = VectorType::Constant(dim_, std::numeric_limits::lowest()); upper_bound_ = VectorType::Constant(dim_, std::numeric_limits::max()); bounds_initialized_ = true; } theta_ = 1.0; W_ = dyn_MatrixType::Zero(dim_, 0); // MM_lu_ will be initialized when first L-BFGS update occurs y_history_ = dyn_MatrixType::Zero(dim_, 0); s_history_ = dyn_MatrixType::Zero(dim_, 0); } StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType & /*progress*/) override { // Project current point to bounds (handles infeasible initial points) const VectorType x = current.x.cwiseMin(upper_bound_).cwiseMax(lower_bound_); // STEP 2: compute the cauchy point VectorType cauchy_point = VectorType::Zero(x.rows()); VectorType current_gradient; function(x, ¤t_gradient); dyn_VectorType c = dyn_VectorType::Zero(W_.cols()); GetGeneralizedCauchyPoint(x, current_gradient, &cauchy_point, &c); // STEP 3: compute a search direction d_k by the primal method for the // sub-problem const auto [subspace_min, do_line_search] = SubspaceMinimization(x, current_gradient, cauchy_point, c); // STEP 4: perform linesearch and STEP 5: compute gradient ScalarType rate = 1.0; if (do_line_search) { ScalarType alpha_init = 1.0; rate = linesearch::MoreThuente::Search( x, subspace_min - x, function, alpha_init); } // update current guess and function information const VectorType x_next = x - rate * (x - subspace_min); // if current solution is out of bound, we clip it const VectorType clipped_x_next = x_next.cwiseMin(upper_bound_).cwiseMax(lower_bound_); const StateType next = StateType(clipped_x_next); VectorType next_gradient; function(next.x, &next_gradient); // prepare for next iteration const VectorType new_y = next_gradient - current_gradient; const VectorType new_s = next.x - x; // STEP 6: Only update if positive curvature (s'*y > 0) const ScalarType sTy = new_s.dot(new_y); if (sTy > 1e-7 * new_y.squaredNorm()) { if (y_history_.cols() < m) { y_history_.conservativeResize(dim_, y_history_.cols() + 1); s_history_.conservativeResize(dim_, s_history_.cols() + 1); } else { y_history_.leftCols(m - 1) = y_history_.rightCols(m - 1).eval(); s_history_.leftCols(m - 1) = s_history_.rightCols(m - 1).eval(); } y_history_.rightCols(1) = new_y; s_history_.rightCols(1) = new_s; // STEP 7: theta_ = (ScalarType)(new_y.transpose() * new_y) / (new_y.transpose() * new_s); W_ = dyn_MatrixType::Zero(y_history_.rows(), y_history_.cols() + s_history_.cols()); W_ << y_history_, (theta_ * s_history_); dyn_MatrixType A = s_history_.transpose() * y_history_; dyn_MatrixType L = A.template triangularView(); dyn_MatrixType MM(A.rows() + L.rows(), A.rows() + L.cols()); dyn_MatrixType D = -1 * A.diagonal().asDiagonal(); MM << D, L.transpose(), L, ((s_history_.transpose() * s_history_) * theta_); // Store LU factorization for efficient triangular solves MM_lu_ = MM.lu(); } return next; } private: /** * @brief sort pairs (k,v) according v ascending */ static std::vector SortIndexes( const std::vector> &v) { std::vector idx(v.size()); for (size_t i = 0; i != idx.size(); ++i) idx[i] = v[i].first; sort(idx.begin(), idx.end(), [&v](size_t i1, size_t i2) { return v[i1].second < v[i2].second; }); return idx; } /** * @brief Solve MM * x = b using stored LU factorization (triangular solves) * More efficient than computing M_ * b when M_ = MM^{-1} */ dyn_VectorType SolveM(const dyn_VectorType &b) const { if (b.size() == 0 || MM_lu_.matrixLU().size() == 0) { return b; } return MM_lu_.solve(b); } void GetGeneralizedCauchyPoint(const VectorType &x, const VectorType &gradient, VectorType *x_cauchy, dyn_VectorType *c) const { constexpr ScalarType max_value = std::numeric_limits::max(); // Use larger epsilon for numerical stability constexpr ScalarType epsilon = 1e-12; // Given x,l,u,g, and B = \theta_ I-WMW // {all t_i} = { (idx,value), ... } // TODO(patwie): use "std::set" ? std::vector> set_of_t; set_of_t.reserve(dim_); // The feasible set is implicitly given by "set_of_t - {t_i==0}". VectorType d = -gradient; // n operations for (int j = 0; j < dim_; j++) { if (gradient(j) == 0) { set_of_t.emplace_back(j, max_value); } else { ScalarType tmp = 0; if (gradient(j) < 0) { tmp = (x(j) - upper_bound_(j)) / gradient(j); } else { tmp = (x(j) - lower_bound_(j)) / gradient(j); } set_of_t.emplace_back(j, tmp); if (tmp == 0) d(j) = 0; } } // sortedindices [1,0,2] means the minimal element is on the 1-st entry std::vector sorted_indices = SortIndexes(set_of_t); *x_cauchy = x; // Initialize // p := W^ScalarType*p dyn_VectorType p = (W_.transpose() * d); // (2mn operations) // c := 0 *c = dyn_VectorType::Zero(W_.cols()); // f' := g^ScalarType*d = -d^Td ScalarType f_prime = -d.dot(d); // (n operations) // f'' := \theta_*d^ScalarType*d-d^ScalarType*W*M*W^ScalarType*d = // -\theta_*f' - p^ScalarType*M*p // Use triangular solve: M*p means solve(MM, p) ScalarType f_doubleprime = (ScalarType)(-1.0 * theta_) * f_prime - p.dot(SolveM(p)); // (O(m^2) operations) f_doubleprime = std::max(epsilon, f_doubleprime); ScalarType f_dp_orig = f_doubleprime; // \delta t_min := -f'/f'' ScalarType dt_min = -f_prime / f_doubleprime; // t_old := 0 ScalarType t_old = 0; // b := argmin {t_i , t_i >0} int i = 0; for (int j = 0; j < dim_; j++) { i = j; if (set_of_t[sorted_indices[j]].second > 0) break; } int b = sorted_indices[i]; // see below // t := min{t_i : i in F} ScalarType t = set_of_t[b].second; // \delta ScalarType := t - 0 ScalarType dt = t; // examination of subsequent segments while ((dt_min >= dt) && (i < dim_)) { if (d(b) > 0) (*x_cauchy)(b) = upper_bound_(b); else if (d(b) < 0) (*x_cauchy)(b) = lower_bound_(b); // z_b = x_p^{cp} - x_b const ScalarType zb = (*x_cauchy)(b)-x(b); // c := c +\delta t*p *c += dt * p; // cache dyn_VectorType wbt = W_.row(b); dyn_VectorType Mc = SolveM(*c); dyn_VectorType Mp = SolveM(p); dyn_VectorType Mwbt = SolveM(wbt); f_prime += dt * f_doubleprime + gradient(b) * gradient(b) + theta_ * gradient(b) * zb - gradient(b) * wbt.transpose() * Mc; f_doubleprime += ScalarType(-1.0) * theta_ * gradient(b) * gradient(b) - ScalarType(2.0) * (gradient(b) * (wbt.dot(Mp))) - gradient(b) * gradient(b) * wbt.transpose() * Mwbt; f_doubleprime = std::max(epsilon * f_dp_orig, f_doubleprime); p += gradient(b) * wbt.transpose(); d(b) = 0; dt_min = -f_prime / f_doubleprime; t_old = t; ++i; if (i < dim_) { b = sorted_indices[i]; t = set_of_t[b].second; dt = t - t_old; } } dt_min = std::max(dt_min, ScalarType{0}); t_old += dt_min; (*x_cauchy)(sorted_indices) = x(sorted_indices) + t_old * d(sorted_indices); *c += dt_min * p; } /** * @brief find alpha* = max {a : a <= 1 and l_i-xc_i <= a*d_i <= u_i-xc_i} */ ScalarType FindAlpha(const VectorType &x_cp, const dyn_VectorType &du, const std::vector &free_variables) const { ScalarType alphastar = 1; const unsigned int n = free_variables.size(); assert(du.rows() == n); for (unsigned int i = 0; i < n; i++) { if (std::abs(du(i)) < 1e-7) { continue; } else if (du(i) > 0) { alphastar = std::min( alphastar, (upper_bound_(free_variables.at(i)) - x_cp(free_variables.at(i))) / du(i)); } else { alphastar = std::min( alphastar, (lower_bound_(free_variables.at(i)) - x_cp(free_variables.at(i))) / du(i)); } } return alphastar; } std::pair SubspaceMinimization( const VectorType &x, const VectorType &gradient, const VectorType &x_cauchy, const dyn_VectorType &c) const { std::vector free_variables_index; for (int i = 0; i < x_cauchy.rows(); i++) { if ((x_cauchy(i) != upper_bound_(i)) && (x_cauchy(i) != lower_bound_(i))) { free_variables_index.push_back(i); } } const int free_var_count = free_variables_index.size(); // Early return if no free variables - Cauchy point is optimal if (free_var_count == 0) { return {x_cauchy, false}; } const ScalarType theta_inverse = 1 / theta_; const dyn_MatrixType WZ = W_(free_variables_index, Eigen::indexing::all).transpose(); const VectorType rr = (gradient + theta_ * (x_cauchy - x) - W_ * SolveM(c)); // r=r(free_variables); const dyn_VectorType r = rr(free_variables_index); // STEP 2: "v = w^T*Z*r" and STEP 3: "v = M*v" dyn_VectorType v = SolveM(WZ * r); // STEP 4: N = 1/theta*W^T*Z*(W^T*Z)^T dyn_MatrixType N = theta_inverse * WZ * WZ.transpose(); // N = I - MN (solve M*X = N for each column, then compute I - X) if (N.cols() > 0) { dyn_MatrixType MN(N.rows(), N.cols()); for (int col = 0; col < N.cols(); ++col) { MN.col(col) = SolveM(N.col(col)); } N = dyn_MatrixType::Identity(N.rows(), N.rows()) - MN; } // STEP: 5 // v = N^{-1}*v if (v.size() > 0) { v = N.lu().solve(v); } // STEP: 6 // HERE IS A MISTAKE IN THE ORIGINAL PAPER! const dyn_VectorType du = -theta_inverse * r - theta_inverse * theta_inverse * WZ.transpose() * v; // STEP: 7 const ScalarType alpha_star = FindAlpha(x_cauchy, du, free_variables_index); // STEP: 8 dyn_VectorType dStar = alpha_star * du; VectorType subspace_min = x_cauchy.eval(); for (int i = 0; i < free_var_count; i++) { subspace_min(free_variables_index[i]) = subspace_min(free_variables_index[i]) + dStar(i); } return {subspace_min, true}; } private: int dim_; VectorType lower_bound_; VectorType upper_bound_; bool bounds_initialized_ = false; Eigen::PartialPivLU MM_lu_; dyn_MatrixType W_; ScalarType theta_; dyn_MatrixType y_history_; dyn_MatrixType s_history_; }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_LBFGSB_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/nelder_mead.h000066400000000000000000000175441516317240700332340ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_NELDER_MEAD_H_ #define INCLUDE_CPPOPTLIB_SOLVER_NELDER_MEAD_H_ #include #include #include #include #include "Eigen/Core" #include "solver.h" namespace cppoptlib::solver { template class NelderMead : public Solver> { public: EIGEN_MAKE_ALIGNED_OPERATOR_NEW using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using MatrixType = typename FunctionType::MatrixType; // Coefficients for the Nelder–Mead algorithm. const ScalarType rho_ = 1.0; // Reflection coefficient (> 0) const ScalarType xi_ = 20.0; // Expansion coefficient const ScalarType gamma_ = 0.1; // Contraction coefficient (0 < gamma < 1) const ScalarType sigma_ = 0.5; // Shrink coefficient (0 < sigma < 1) // Tolerance for detecting a degenerate simplex. const ScalarType degenerate_tol_ = 1e-8; using Superclass::Superclass; // Initialize the solver with the starting point. void InitializeSolver(const FunctionType & /*function*/, const StateType &initial_state) override { simplex_ = makeInitialSimplex(initial_state.x); } // Performs one iteration (step) of the Nelder–Mead algorithm. // This implementation updates the internal simplex and returns the current // best vertex. StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType & /*progress*/) override { const size_t DIM = current.x.rows(); const int numVertices = static_cast(DIM) + 1; // Evaluate the objective function at each vertex of the simplex. std::vector f(numVertices); std::vector idx(numVertices); for (int i = 0; i < numVertices; ++i) { f[i] = function(simplex_.col(i)); idx[i] = i; } // Sort indices so that f[idx[0]] is the best (lowest) function value. std::sort(idx.begin(), idx.end(), [&](int a, int b) { return f[a] < f[b]; }); // Check for degeneracy: if the maximum distance between the best and other // vertices is too small, restart the simplex around the best vertex. ScalarType maxDist = 0; for (int i = 1; i < numVertices; ++i) { ScalarType dist = (simplex_.col(idx[i]) - simplex_.col(idx[0])) .template lpNorm(); if (dist > maxDist) { maxDist = dist; } } if (maxDist < degenerate_tol_) { simplex_ = makeInitialSimplex(simplex_.col(idx[0])); // Recompute function values and re-sort indices. for (int i = 0; i < numVertices; ++i) { f[i] = function(simplex_.col(i)); idx[i] = i; } std::sort(idx.begin(), idx.end(), [&](int a, int b) { return f[a] < f[b]; }); } // Compute the centroid of the best DIM vertices (all except the worst). VectorType x_bar = VectorType::Zero(DIM); for (size_t i = 0; i < DIM; ++i) { x_bar += simplex_.col(idx[i]); } x_bar /= static_cast(DIM); // Reflection: compute the reflected point. VectorType x_r = (1 + rho_) * x_bar - rho_ * simplex_.col(idx[DIM]); if (isCoincident(x_r, x_bar) || isCoincident(x_r, simplex_.col(idx[DIM]))) { shrink(simplex_, idx, f, function); return StateType(simplex_.col(idx[0])); } ScalarType f_r = function(x_r); if (f_r < f[idx[0]]) { // Expansion: if the reflection is the best so far, try to expand further. VectorType x_e = (1 + rho_ * xi_) * x_bar - rho_ * xi_ * simplex_.col(idx[DIM]); ScalarType f_e = function(x_e); if (f_e < f_r) { simplex_.col(idx[DIM]) = x_e; } else { simplex_.col(idx[DIM]) = x_r; } } else if (f_r < f[idx[DIM - 1]]) { // Accept the reflected point. simplex_.col(idx[DIM]) = x_r; } else { // Contraction: if (f_r < f[idx[DIM]]) { // Outside contraction. VectorType x_c = (1 + rho_ * gamma_) * x_bar - rho_ * gamma_ * simplex_.col(idx[DIM]); ScalarType f_c = function(x_c); if (f_c <= f_r) { simplex_.col(idx[DIM]) = x_c; } else { shrink(simplex_, idx, f, function); } } else { // Inside contraction. VectorType x_c = (1 - gamma_) * x_bar + gamma_ * simplex_.col(idx[DIM]); ScalarType f_c = function(x_c); if (f_c < f[idx[DIM]]) { simplex_.col(idx[DIM]) = x_c; } else { shrink(simplex_, idx, f, function); } } } // Return the current best vertex. return StateType(simplex_.col(idx[0])); } private: MatrixType simplex_; // Create an initial simplex given the starting point x using adaptive // perturbations. MatrixType makeInitialSimplex(const VectorType &x) { const size_t DIM = x.rows(); MatrixType s = MatrixType::Zero(DIM, DIM + 1); for (size_t c = 0; c < DIM + 1; ++c) { for (size_t r = 0; r < DIM; ++r) { s(r, c) = x[r]; if (r == c - 1) { // Use an adaptive perturbation for each coordinate. const ScalarType delta = (std::abs(x[r]) > 1e-6) ? 0.05 * std::abs(x[r]) : 0.001; s(r, c) += delta; } } } return s; } // Returns true if the two vectors are nearly equal (using the infinity norm). bool isCoincident(const VectorType &a, const VectorType &b) const { return (a - b).template lpNorm() < degenerate_tol_; } // Shrink the simplex toward the best vertex. void shrink(MatrixType &s, std::vector &idx, std::vector &f, const FunctionType &function) { const size_t DIM = s.rows(); // Re-evaluate the best vertex. f[idx[0]] = function(s.col(idx[0])); for (size_t i = 1; i < DIM + 1; ++i) { s.col(idx[i]) = sigma_ * s.col(idx[i]) + (1 - sigma_) * s.col(idx[0]); f[idx[i]] = function(s.col(idx[i])); } } }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_NELDER_MEAD_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/newton_descent.h000066400000000000000000000067171516317240700340140ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_NEWTON_DESCENT_H_ #define INCLUDE_CPPOPTLIB_SOLVER_NEWTON_DESCENT_H_ #include #include "../linesearch/armijo.h" #include "Eigen/Dense" #include "solver.h" // NOLINT namespace cppoptlib::solver { template class NewtonDescent : public Solver> { static_assert(FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second, "NewtonDescent only supports second-order " "differentiable functions"); public: using StateType = typename cppoptlib::function::FunctionState< typename FunctionType::ScalarType, FunctionType::Dimension>; using Superclass = Solver; using ProgressType = typename Superclass::ProgressType; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using MatrixType = typename FunctionType::MatrixType; EIGEN_MAKE_ALIGNED_OPERATOR_NEW using Superclass::Superclass; void InitializeSolver(const FunctionType & /*function*/, const StateType &initial_state) override { dim_ = initial_state.x.rows(); } StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType & /*state*/) override { constexpr ScalarType safe_guard = 1e-5; MatrixType hessian; VectorType gradient; function(current.x, &gradient, &hessian); hessian += safe_guard * MatrixType::Identity(dim_, dim_); const VectorType delta_x = hessian.lu().solve(-gradient); const ScalarType rate = linesearch::Armijo::Search( current.x, delta_x, function); return StateType(current.x + rate * delta_x); } private: int dim_; }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_NEWTON_DESCENT_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/progress.h000066400000000000000000000213311516317240700326260ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_PROGRESS_H_ #define INCLUDE_CPPOPTLIB_SOLVER_PROGRESS_H_ #include #include namespace cppoptlib::solver { // Status of the solver state. enum class Status { NotStarted = -1, Continue = 0, // Optimization should continue. IterationLimit, // Maximum of allowed iterations has been reached. XDeltaViolation, // Minimum change in parameter vector has been reached. FDeltaViolation, // Minimum change in cost function has been reached. GradientNormViolation, // Minimum norm in gradient vector has been reached. HessianConditionViolation, // Maximum condition number of hessian_t has been // reached. Finished // Successful finished }; inline std::ostream &operator<<(std::ostream &stream, const Status &status) { switch (status) { case Status::NotStarted: stream << "Solver not started."; break; case Status::Continue: stream << "Convergence criteria not reached."; break; case Status::IterationLimit: stream << "Iteration limit reached."; break; case Status::XDeltaViolation: stream << "Change in parameter vector too small."; break; case Status::FDeltaViolation: stream << "Change in cost function value too small."; break; case Status::GradientNormViolation: stream << "Gradient vector norm too small."; break; case Status::HessianConditionViolation: stream << "Condition of Hessian/Covariance matrix too large."; break; case Status::Finished: stream << "Finished"; break; } return stream; } // The progress of the solver. template struct Progress { using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using MatrixType = typename FunctionType::MatrixType; size_t num_iterations = 0; // Maximum number of allowed iterations. ScalarType x_delta = ScalarType{0}; // Minimum change in parameter vector. int x_delta_violations = 0; // Number of violations in pareameter vector. ScalarType f_delta = ScalarType{0}; // Minimum change in cost function. int f_delta_violations = 0; // Number of violations in cost function. ScalarType gradient_norm = ScalarType{0}; // Minimum norm of gradient vector. ScalarType condition_hessian = ScalarType{0}; // Maximum condition number of hessian_t. ScalarType constraint_threshold = ScalarType{0}; // Minimum norm of constraint violations. Status status = Status::NotStarted; // Status of state. Progress() = default; // Updates state from function information. void Update(const FunctionType &function, const StateType &previous_function_state, const StateType ¤t_function_state, const Progress &stop_progress) { const VectorType ¤t_x = current_function_state.x; const VectorType &previous_x = previous_function_state.x; VectorType previous_gradient, current_gradient; ScalarType previous_value; ScalarType current_value; if constexpr (FunctionType::Differentiability >= cppoptlib::function::DifferentiabilityMode::First) { if constexpr (StateType::NumConstraints > 0) { const auto previous_function = cppoptlib::function::ToAugmentedLagrangian( function, previous_function_state.multiplier_state, previous_function_state.penalty_state); const auto current_function = cppoptlib::function::ToAugmentedLagrangian( function, current_function_state.multiplier_state, current_function_state.penalty_state); previous_value = previous_function(previous_x, &previous_gradient); current_value = current_function(current_x, ¤t_gradient); } else { previous_value = function(previous_x, &previous_gradient); current_value = function(current_x, ¤t_gradient); } } else { previous_value = function(previous_x); current_value = function(current_x); } num_iterations++; f_delta = std::abs(current_value - previous_value); x_delta = (current_x - previous_x).template lpNorm(); // Compute gradient norm if the function supports differentiation if constexpr (FunctionType::Differentiability >= cppoptlib::function::DifferentiabilityMode::First) { gradient_norm = current_gradient.template lpNorm(); } // Compute Hessian condition number if the function supports second-order // derivatives if constexpr (FunctionType::Differentiability == cppoptlib::function::DifferentiabilityMode::Second) { MatrixType current_hessian; function(current_x, nullptr, ¤t_hessian); condition_hessian = current_hessian.norm() * current_hessian.inverse().norm(); } if ((stop_progress.num_iterations > 0) && (num_iterations > stop_progress.num_iterations)) { status = Status::IterationLimit; return; } if constexpr (StateType::NumConstraints > 0) { if (std::abs(current_function_state.max_violation) > stop_progress.constraint_threshold) { status = Status::Continue; return; } status = Status::Finished; // All constraints satisfied return; } if ((stop_progress.x_delta > 0) && (x_delta < stop_progress.x_delta)) { x_delta_violations++; if (x_delta_violations >= stop_progress.x_delta_violations) { status = Status::XDeltaViolation; return; } } else { x_delta_violations = 0; } if ((stop_progress.f_delta > 0) && (f_delta < stop_progress.f_delta)) { f_delta_violations++; if (f_delta_violations >= stop_progress.f_delta_violations) { status = Status::FDeltaViolation; return; } } else { f_delta_violations = 0; } if constexpr (FunctionType::Differentiability >= cppoptlib::function::DifferentiabilityMode::First) { if ((stop_progress.gradient_norm > 0) && (gradient_norm < stop_progress.gradient_norm)) { status = Status::GradientNormViolation; return; } } if constexpr (FunctionType::Differentiability == function::DifferentiabilityMode::Second) { if ((stop_progress.condition_hessian > 0) && (condition_hessian > stop_progress.condition_hessian)) { status = Status::HessianConditionViolation; return; } } status = Status::Continue; } }; // Returns the default stopping solver state. template Progress DefaultStoppingSolverProgress() { Progress progress; using ScalarType = typename Progress::ScalarType; progress.num_iterations = 10000; progress.x_delta = ScalarType{1e-9}; progress.x_delta_violations = 5; progress.f_delta = ScalarType{1e-9}; progress.f_delta_violations = 5; progress.gradient_norm = ScalarType{1e-6}; progress.condition_hessian = ScalarType{0}; progress.constraint_threshold = ScalarType{1e-5}; progress.status = Status::NotStarted; return progress; } } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_PROGRESS_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/solver/solver.h000066400000000000000000000160761516317240700323060ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_SOLVER_SOLVER_H_ #define INCLUDE_CPPOPTLIB_SOLVER_SOLVER_H_ #include #include #include #include #include #include #include #include "../function.h" #include "progress.h" namespace cppoptlib::solver { // Returns a callback function that prints progress to the specified stream. // The output stream (e.g., std::cout, std::cerr, or an std::ofstream) // is passed as an argument. template auto PrintProgressCallback(std::ostream &output_stream) { return [&output_stream](const FunctionType &function, const StateType &state, const Progress &progress) { const int label_width = 18; // Width for labels like "Value:", "X Delta:" const int num_width = 15; // Width for numeric values const int precision = 6; // Decimal places for floating-point numbers output_stream << std::fixed << std::setprecision(precision); // --- Iteration Header --- output_stream << "--- Iteration: " << std::setw(5) << std::right << progress.num_iterations << " ---\n"; // --- Function & State Information --- output_stream << std::left << std::setw(label_width) << " Value:" << std::right << std::setw(num_width) << function(state.x) << "\n"; // Format vector/matrix output using a stringstream to avoid messing up // widths easily std::stringstream ss_x; ss_x << state.x.transpose(); output_stream << std::left << std::setw(label_width) << " X:" << " " << ss_x.str() << "\n"; // --- Gradient (Conditional) --- if constexpr (FunctionType::Differentiability >= cppoptlib::function::DifferentiabilityMode::First) { typename FunctionType::VectorType gradient(state.x.size()); function(state.x, &gradient); std::stringstream ss_grad; ss_grad << gradient.transpose(); output_stream << std::left << std::setw(label_width) << " Gradient:" << " " << ss_grad.str() << "\n"; output_stream << std::left << std::setw(label_width) << " Gradient Norm:" << std::right << std::setw(num_width) << progress.gradient_norm << "\n"; } // --- Solver Progress Information --- output_stream << std::left << std::setw(label_width) << " X Delta:" << std::right << std::setw(num_width) << progress.x_delta << "\n"; output_stream << std::left << std::setw(label_width) << " F Delta:" << std::right << std::setw(num_width) << progress.f_delta << "\n"; // --- Hessian Condition (Conditional) --- if constexpr (FunctionType::Differentiability >= cppoptlib::function::DifferentiabilityMode::Second) { output_stream << std::left << std::setw(label_width) << " Hessian Cond.:"; if (!std::isnan(progress.condition_hessian)) { output_stream << std::right << std::setw(num_width) << progress.condition_hessian; } else { output_stream << std::right << std::setw(num_width) << "N/A"; } output_stream << "\n"; } output_stream << "-------------------------" << std::endl; }; } template auto NoOpCallback() { return [](const FunctionType & /*function*/, const StateType & /*state*/, const Progress & /*progress*/) {}; } // Specifies a solver implementation (of a given order) for a given function template class Solver { public: using StateType = StateTypeT; using FunctionType = FunctionTypeT; using ProgressType = Progress; using CallbackType = std::function; ProgressType stopping_progress; public: explicit Solver(const ProgressType &stopping_progress = DefaultStoppingSolverProgress()) : stopping_progress(stopping_progress), step_callback_(NoOpCallback()) {} virtual ~Solver() = default; void SetCallback(CallbackType callback) { step_callback_ = callback; } virtual void InitializeSolver(const FunctionType & /*function*/, const StateType & /*initial_state*/) = 0; virtual std::tuple> Minimize( const FunctionType &function, const StateType &function_state) { // Solver state during the optimization. ProgressType solver_state; StateType current_function_state = function_state; this->InitializeSolver(function, function_state); do { this->step_callback_(function, current_function_state, solver_state); StateType previous_function_state = current_function_state; current_function_state = this->OptimizationStep( function, previous_function_state, solver_state); solver_state.Update(function, previous_function_state, current_function_state, stopping_progress); } while (solver_state.status == Status::Continue); this->step_callback_(function, current_function_state, solver_state); return {current_function_state, solver_state}; } virtual StateType OptimizationStep(const FunctionType &function, const StateType ¤t, const ProgressType &state) = 0; CallbackType step_callback_; // A user-defined callback function. }; } // namespace cppoptlib::solver #endif // INCLUDE_CPPOPTLIB_SOLVER_SOLVER_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/utils/000077500000000000000000000000001516317240700304375ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/cppoptlib/include/cppoptlib/utils/derivatives.h000066400000000000000000000244421516317240700331430ustar00rootroot00000000000000// CPPNumericalSolvers - A lightweight C++ numerical optimization library // Copyright (c) 2014 Patrick Wieschollek + Contributors // Licensed under the MIT License (see below). // // Permission is hereby granted, free of charge, to any person obtaining a copy // of this software and associated documentation files (the "Software"), to deal // in the Software without restriction, including without limitation the rights // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell // copies of the Software, and to permit persons to whom the Software is // furnished to do so, subject to the following conditions: // // The above copyright notice and this permission notice shall be included in // all copies or substantial portions of the Software. // // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE // SOFTWARE. // // Author: Patrick Wieschollek // // More details can be found in the project documentation: // https://github.com/PatWie/CppNumericalSolvers #ifndef INCLUDE_CPPOPTLIB_UTILS_DERIVATIVES_H_ #define INCLUDE_CPPOPTLIB_UTILS_DERIVATIVES_H_ #include #include #include #include namespace cppoptlib::utils { template void ComputeFiniteGradient( const FunctionType &function, const Eigen::Matrix &x0, Eigen::Matrix *grad, const int accuracy = 0) { using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using index_t = typename VectorType::Index; constexpr ScalarType machine_eps = std::numeric_limits::epsilon(); // Coefficients for finite difference formulas of increasing accuracy. // The 'accuracy' can be 0, 1, 2, or 3. static const std::array, 4> coeff = { {{1, -1}, {1, -8, 8, -1}, {-1, 9, -45, 45, -9, 1}, {3, -32, 168, -672, 672, -168, 32, -3}}}; static const std::array, 4> coeff2 = { {{1, -1}, {-2, -1, 1, 2}, {-3, -2, -1, 1, 2, 3}, {-4, -3, -2, -1, 1, 2, 3, 4}}}; static const std::array dd = {2, 12, 60, 840}; grad->resize(x0.rows()); VectorType x = x0; const int innerSteps = 2 * (accuracy + 1); for (index_t d = 0; d < x0.rows(); d++) { // Compute a coordinate-dependent step size. ScalarType h = std::sqrt(machine_eps) * std::max(std::abs(x0[d]), ScalarType(1)); ScalarType ddVal = dd[accuracy] * h; (*grad)[d] = 0; for (int s = 0; s < innerSteps; ++s) { ScalarType tmp = x[d]; x[d] += coeff2[accuracy][s] * h; (*grad)[d] += coeff[accuracy][s] * function(x); x[d] = tmp; } (*grad)[d] /= ddVal; } } // Approximates the Hessian of the given function in x0. template void ComputeFiniteHessian( const FunctionType &function, const Eigen::Matrix &x0, Eigen::Matrix *hessian, int accuracy = 0) { using ScalarType = typename FunctionType::ScalarType; using VectorType = Eigen::Matrix; using index_t = typename VectorType::Index; constexpr ScalarType machine_eps = std::numeric_limits::epsilon(); index_t n = x0.rows(); hessian->resize(n, n); // Make a local copy so we can safely modify it. VectorType x = x0; ScalarType f0 = function(x0); if (accuracy == 0) { // Basic central difference approximation. for (index_t i = 0; i < n; i++) { // Choose an adaptive step size for the i-th coordinate. ScalarType hi = std::sqrt(machine_eps) * std::max(std::abs(x0[i]), ScalarType(1)); // Diagonal: standard second derivative. x = x0; x[i] += hi; ScalarType f_plus = function(x); x = x0; x[i] -= hi; ScalarType f_minus = function(x); (*hessian)(i, i) = (f_plus - 2 * f0 + f_minus) / (hi * hi); for (index_t j = i + 1; j < n; j++) { ScalarType hj = std::sqrt(machine_eps) * std::max(std::abs(x0[j]), ScalarType(1)); // Off-diagonals: use central differences. x = x0; x[i] += hi; x[j] += hj; ScalarType f_pp = function(x); x = x0; x[i] += hi; x[j] -= hj; ScalarType f_pm = function(x); x = x0; x[i] -= hi; x[j] += hj; ScalarType f_mp = function(x); x = x0; x[i] -= hi; x[j] -= hj; ScalarType f_mm = function(x); ScalarType d2f = (f_pp - f_pm - f_mp + f_mm) / (4 * hi * hj); (*hessian)(i, j) = d2f; (*hessian)(j, i) = d2f; } } } else { // Higher-order finite difference approximation using for (index_t i = 0; i < n; i++) { ScalarType hi = std::sqrt(machine_eps) * std::max(std::abs(x0[i]), ScalarType(1)); x = x0; x[i] += hi; ScalarType f_plus = function(x); x = x0; x[i] -= hi; ScalarType f_minus = function(x); (*hessian)(i, i) = (f_plus - 2 * f0 + f_minus) / (hi * hi); for (index_t j = i + 1; j < n; j++) { ScalarType hj = std::sqrt(machine_eps) * std::max(std::abs(x0[j]), ScalarType(1)); ScalarType h = (hi + hj) / 2; ScalarType tmpi = x0[i], tmpj = x0[j]; ScalarType term1 = 0, term2 = 0, term3 = 0, term4 = 0; // term1: -63 * (f(tmpi+1h, tmpj-2h) + f(tmpi+2h, tmpj-1h) + f(tmpi-2h, // tmpj+1h) + f(tmpi-1h, tmpj+2h)) x = x0; x[i] = tmpi + 1 * h; x[j] = tmpj - 2 * h; term1 += function(x); x = x0; x[i] = tmpi + 2 * h; x[j] = tmpj - 1 * h; term1 += function(x); x = x0; x[i] = tmpi - 2 * h; x[j] = tmpj + 1 * h; term1 += function(x); x = x0; x[i] = tmpi - 1 * h; x[j] = tmpj + 2 * h; term1 += function(x); // term2: +63 * (f(tmpi-1h, tmpj-2h) + f(tmpi-2h, tmpj-1h) + f(tmpi+1h, // tmpj+2h) + f(tmpi+2h, tmpj+1h)) x = x0; x[i] = tmpi - 1 * h; x[j] = tmpj - 2 * h; term2 += function(x); x = x0; x[i] = tmpi - 2 * h; x[j] = tmpj - 1 * h; term2 += function(x); x = x0; x[i] = tmpi + 1 * h; x[j] = tmpj + 2 * h; term2 += function(x); x = x0; x[i] = tmpi + 2 * h; x[j] = tmpj + 1 * h; term2 += function(x); // term3: +44 * (f(tmpi+2h, tmpj-2h) + f(tmpi-2h, tmpj+2h) - f(tmpi-2h, // tmpj-2h) - f(tmpi+2h, tmpj+2h)) x = x0; x[i] = tmpi + 2 * h; x[j] = tmpj - 2 * h; term3 += function(x); x = x0; x[i] = tmpi - 2 * h; x[j] = tmpj + 2 * h; term3 += function(x); x = x0; x[i] = tmpi - 2 * h; x[j] = tmpj - 2 * h; term3 -= function(x); x = x0; x[i] = tmpi + 2 * h; x[j] = tmpj + 2 * h; term3 -= function(x); // term4: +74 * (f(tmpi-1h, tmpj-1h) + f(tmpi+1h, tmpj+1h) - f(tmpi+1h, // tmpj-1h) - f(tmpi-1h, tmpj+1h)) x = x0; x[i] = tmpi - 1 * h; x[j] = tmpj - 1 * h; term4 += function(x); x = x0; x[i] = tmpi + 1 * h; x[j] = tmpj + 1 * h; term4 += function(x); x = x0; x[i] = tmpi + 1 * h; x[j] = tmpj - 1 * h; term4 -= function(x); x = x0; x[i] = tmpi - 1 * h; x[j] = tmpj + 1 * h; term4 -= function(x); // Combine the weighted terms. ScalarType mixed = (-63 * term1 + 63 * term2 + 44 * term3 + 74 * term4) / (600 * h * h); (*hessian)(i, j) = mixed; (*hessian)(j, i) = mixed; } } } } template bool IsGradientCorrect(const FunctionType &function, const typename FunctionType::VectorType &x0, int accuracy = 3) { constexpr float tolerance = 1e-2; using ScalarType = typename FunctionType::ScalarType; using VectorType = typename FunctionType::VectorType; using index_t = typename VectorType::Index; const index_t D = x0.rows(); VectorType actual_gradient; function(x0, &actual_gradient); VectorType expected_gradient(D); ComputeFiniteGradient(function, x0, &expected_gradient, accuracy); for (index_t d = 0; d < D; ++d) { ScalarType scale = std::max(static_cast(std::max(fabs(actual_gradient[d]), fabs(expected_gradient[d]))), ScalarType(1.)); if (fabs(actual_gradient[d] - expected_gradient[d]) > tolerance * scale) return false; } return true; } template bool IsHessianCorrect(const FunctionType &function, const typename FunctionType::VectorType &x0, int accuracy = 3) { constexpr float tolerance = 1e-1; using ScalarType = typename FunctionType::ScalarType; using MatrixType = typename FunctionType::MatrixType; using VectorType = typename FunctionType::VectorType; using index_t = typename VectorType::Index; const index_t D = x0.rows(); MatrixType actual_hessian; function(x0, nullptr, &actual_hessian); MatrixType expected_hessian = MatrixType::Zero(D, D); ComputeFiniteHessian(function, x0, &expected_hessian, accuracy); for (index_t d = 0; d < D; ++d) { for (index_t e = 0; e < D; ++e) { ScalarType scale = std::max( static_cast(std::max(fabs(actual_hessian(d, e)), fabs(expected_hessian(d, e)))), ScalarType(1.)); if (fabs(actual_hessian(d, e) - expected_hessian(d, e)) > tolerance * scale) return false; } } return true; } } // namespace cppoptlib::utils #endif // INCLUDE_CPPOPTLIB_UTILS_DERIVATIVES_H_ OpenChemistry-avogadrolibs-ceb949f/thirdparty/gif-h/000077500000000000000000000000001516317240700226565ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/gif-h/LICENSE000066400000000000000000000022721516317240700236660ustar00rootroot00000000000000This is free and unencumbered software released into the public domain. Anyone is free to copy, modify, publish, use, compile, sell, or distribute this software, either in source code form or as a compiled binary, for any purpose, commercial or non-commercial, and by any means. In jurisdictions that recognize copyright laws, the author or authors of this software dedicate any and all copyright interest in the software to the public domain. We make this dedication for the benefit of the public at large and to the detriment of our heirs and successors. We intend this dedication to be an overt act of relinquishment in perpetuity of all present and future rights to this software under copyright law. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. For more information, please refer to OpenChemistry-avogadrolibs-ceb949f/thirdparty/gif-h/README.md000066400000000000000000000016301516317240700241350ustar00rootroot00000000000000gif-h ===== This one-header library offers a simple, very limited way to create animated GIFs directly in code. Those looking for particular cleverness are likely to be disappointed; it's pretty much a straight-ahead implementation of the GIF format with optional Floyd-Steinberg dithering. (It does at least use delta encoding - only the changed portions of each frame are saved.) So resulting files are often quite large. The hope is that it will be handy nonetheless as a quick and easily-integrated way for programs to spit out animations. Only RGBA8 is currently supported as an input format. (The alpha is ignored.) Email me : ctangora -at- gmail -dot- com Usage: ------------------- Create a GifWriter struct. Pass the struct to GifBegin() to initialize values and write the file header. Pass frames of the animation to GifWriteFrame(). Finally, call GifEnd() to close the file handle and free memory. OpenChemistry-avogadrolibs-ceb949f/thirdparty/gif-h/gif.h000066400000000000000000000655411516317240700236070ustar00rootroot00000000000000// // gif.h // by Charlie Tangora // Public domain. // Email me : ctangora -at- gmail -dot- com // // This file offers a simple, very limited way to create animated GIFs directly in code. // // Those looking for particular cleverness are likely to be disappointed; it's pretty // much a straight-ahead implementation of the GIF format with optional Floyd-Steinberg // dithering. (It does at least use delta encoding - only the changed portions of each // frame are saved.) // // So resulting files are often quite large. The hope is that it will be handy nonetheless // as a quick and easily-integrated way for programs to spit out animations. // // Only RGBA8 is currently supported as an input format. (The alpha is ignored.) // // If capturing a buffer with a bottom-left origin (such as OpenGL), define GIF_FLIP_VERT // to automatically flip the buffer data when writing the image (the buffer itself is // unchanged. // // USAGE: // Create a GifWriter struct. Pass it to GifBegin() to initialize and write the header. // Pass subsequent frames to GifWriteFrame(). // Finally, call GifEnd() to close the file handle and free memory. // #ifndef gif_h #define gif_h #include // for FILE* #include // for memcpy and bzero #include // for integer typedefs #include // for bool macros // Define these macros to hook into a custom memory allocator. // TEMP_MALLOC and TEMP_FREE will only be called in stack fashion - frees in the reverse order of mallocs // and any temp memory allocated by a function will be freed before it exits. // MALLOC and FREE are used only by GifBegin and GifEnd respectively (to allocate a buffer the size of the image, which // is used to find changed pixels for delta-encoding.) #ifndef GIF_TEMP_MALLOC #include #define GIF_TEMP_MALLOC malloc #endif #ifndef GIF_TEMP_FREE #include #define GIF_TEMP_FREE free #endif #ifndef GIF_MALLOC #include #define GIF_MALLOC malloc #endif #ifndef GIF_FREE #include #define GIF_FREE free #endif const int kGifTransIndex = 0; typedef struct { int bitDepth; uint8_t r[256]; uint8_t g[256]; uint8_t b[256]; // k-d tree over RGB space, organized in heap fashion // i.e. left child of node i is node i*2, right child is node i*2+1 // nodes 256-511 are implicitly the leaves, containing a color uint8_t treeSplitElt[256]; uint8_t treeSplit[256]; } GifPalette; // max, min, and abs functions int GifIMax(int l, int r) { return l>r?l:r; } int GifIMin(int l, int r) { return l (1<bitDepth)-1) { int ind = treeRoot-(1<bitDepth); if(ind == kGifTransIndex) return; // check whether this color is better than the current winner int r_err = r - ((int32_t)pPal->r[ind]); int g_err = g - ((int32_t)pPal->g[ind]); int b_err = b - ((int32_t)pPal->b[ind]); int diff = GifIAbs(r_err)+GifIAbs(g_err)+GifIAbs(b_err); if(diff < *bestDiff) { *bestInd = ind; *bestDiff = diff; } return; } // take the appropriate color (r, g, or b) for this node of the k-d tree int comps[3]; comps[0] = r; comps[1] = g; comps[2] = b; int splitComp = comps[pPal->treeSplitElt[treeRoot]]; int splitPos = pPal->treeSplit[treeRoot]; if(splitPos > splitComp) { // check the left subtree GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2); if( *bestDiff > splitPos - splitComp ) { // cannot prove there's not a better value in the right subtree, check that too GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2+1); } } else { GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2+1); if( *bestDiff > splitComp - splitPos ) { GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2); } } } void GifSwapPixels(uint8_t* image, int pixA, int pixB) { uint8_t rA = image[pixA*4]; uint8_t gA = image[pixA*4+1]; uint8_t bA = image[pixA*4+2]; uint8_t aA = image[pixA*4+3]; uint8_t rB = image[pixB*4]; uint8_t gB = image[pixB*4+1]; uint8_t bB = image[pixB*4+2]; uint8_t aB = image[pixA*4+3]; image[pixA*4] = rB; image[pixA*4+1] = gB; image[pixA*4+2] = bB; image[pixA*4+3] = aB; image[pixB*4] = rA; image[pixB*4+1] = gA; image[pixB*4+2] = bA; image[pixB*4+3] = aA; } // just the partition operation from quicksort int GifPartition(uint8_t* image, const int left, const int right, const int elt, int pivotIndex) { const int pivotValue = image[(pivotIndex)*4+elt]; GifSwapPixels(image, pivotIndex, right-1); int storeIndex = left; bool split = 0; for(int ii=left; ii neededCenter) GifPartitionByMedian(image, left, pivotIndex, com, neededCenter); if(pivotIndex < neededCenter) GifPartitionByMedian(image, pivotIndex+1, right, com, neededCenter); } } // Builds a palette by creating a balanced k-d tree of all pixels in the image void GifSplitPalette(uint8_t* image, int numPixels, int firstElt, int lastElt, int splitElt, int splitDist, int treeNode, bool buildForDither, GifPalette* pal) { if(lastElt <= firstElt || numPixels == 0) return; // base case, bottom of the tree if(lastElt == firstElt+1) { if(buildForDither) { // Dithering needs at least one color as dark as anything // in the image and at least one brightest color - // otherwise it builds up error and produces strange artifacts if( firstElt == 1 ) { // special case: the darkest color in the image uint32_t r=255, g=255, b=255; for(int ii=0; iir[firstElt] = (uint8_t)r; pal->g[firstElt] = (uint8_t)g; pal->b[firstElt] = (uint8_t)b; return; } if( firstElt == (1 << pal->bitDepth)-1 ) { // special case: the lightest color in the image uint32_t r=0, g=0, b=0; for(int ii=0; iir[firstElt] = (uint8_t)r; pal->g[firstElt] = (uint8_t)g; pal->b[firstElt] = (uint8_t)b; return; } } // otherwise, take the average of all colors in this subcube uint64_t r=0, g=0, b=0; for(int ii=0; iir[firstElt] = (uint8_t)r; pal->g[firstElt] = (uint8_t)g; pal->b[firstElt] = (uint8_t)b; return; } // Find the axis with the largest range int minR = 255, maxR = 0; int minG = 255, maxG = 0; int minB = 255, maxB = 0; for(int ii=0; ii maxR) maxR = r; if(r < minR) minR = r; if(g > maxG) maxG = g; if(g < minG) minG = g; if(b > maxB) maxB = b; if(b < minB) minB = b; } int rRange = maxR - minR; int gRange = maxG - minG; int bRange = maxB - minB; // and split along that axis. (incidentally, this means this isn't a "proper" k-d tree but I don't know what else to call it) int splitCom = 1; if(bRange > gRange) splitCom = 2; if(rRange > bRange && rRange > gRange) splitCom = 0; int subPixelsA = numPixels * (splitElt - firstElt) / (lastElt - firstElt); int subPixelsB = numPixels-subPixelsA; GifPartitionByMedian(image, 0, numPixels, splitCom, subPixelsA); pal->treeSplitElt[treeNode] = (uint8_t)splitCom; pal->treeSplit[treeNode] = image[subPixelsA*4+splitCom]; GifSplitPalette(image, subPixelsA, firstElt, splitElt, splitElt-splitDist, splitDist/2, treeNode*2, buildForDither, pal); GifSplitPalette(image+subPixelsA*4, subPixelsB, splitElt, lastElt, splitElt+splitDist, splitDist/2, treeNode*2+1, buildForDither, pal); } // Finds all pixels that have changed from the previous image and // moves them to the fromt of th buffer. // This allows us to build a palette optimized for the colors of the // changed pixels only. int GifPickChangedPixels( const uint8_t* lastFrame, uint8_t* frame, int numPixels ) { int numChanged = 0; uint8_t* writeIter = frame; for (int ii=0; iibitDepth = bitDepth; // SplitPalette is destructive (it sorts the pixels by color) so // we must create a copy of the image for it to destroy size_t imageSize = (size_t)(width * height * 4 * sizeof(uint8_t)); uint8_t* destroyableImage = (uint8_t*)GIF_TEMP_MALLOC(imageSize); memcpy(destroyableImage, nextFrame, imageSize); int numPixels = (int)(width * height); if(lastFrame) numPixels = GifPickChangedPixels(lastFrame, destroyableImage, numPixels); const int lastElt = 1 << bitDepth; const int splitElt = lastElt/2; const int splitDist = splitElt/2; GifSplitPalette(destroyableImage, numPixels, 1, lastElt, splitElt, splitDist, 1, buildForDither, pPal); GIF_TEMP_FREE(destroyableImage); // add the bottom node for the transparency index pPal->treeSplit[1 << (bitDepth-1)] = 0; pPal->treeSplitElt[1 << (bitDepth-1)] = 0; pPal->r[0] = pPal->g[0] = pPal->b[0] = 0; } // Implements Floyd-Steinberg dithering, writes palette value to alpha void GifDitherImage( const uint8_t* lastFrame, const uint8_t* nextFrame, uint8_t* outFrame, uint32_t width, uint32_t height, GifPalette* pPal ) { int numPixels = (int)(width * height); // quantPixels initially holds color*256 for all pixels // The extra 8 bits of precision allow for sub-single-color error values // to be propagated int32_t *quantPixels = (int32_t *)GIF_TEMP_MALLOC(sizeof(int32_t) * (size_t)numPixels * 4); for( int ii=0; iir[bestInd]) * 256; int32_t g_err = nextPix[1] - (int32_t)(pPal->g[bestInd]) * 256; int32_t b_err = nextPix[2] - (int32_t)(pPal->b[bestInd]) * 256; nextPix[0] = pPal->r[bestInd]; nextPix[1] = pPal->g[bestInd]; nextPix[2] = pPal->b[bestInd]; nextPix[3] = bestInd; // Propagate the error to the four adjacent locations // that we haven't touched yet int quantloc_7 = (int)(yy * width + xx + 1); int quantloc_3 = (int)(yy * width + width + xx - 1); int quantloc_5 = (int)(yy * width + width + xx); int quantloc_1 = (int)(yy * width + width + xx + 1); if(quantloc_7 < numPixels) { int32_t* pix7 = quantPixels+4*quantloc_7; pix7[0] += GifIMax( -pix7[0], r_err * 7 / 16 ); pix7[1] += GifIMax( -pix7[1], g_err * 7 / 16 ); pix7[2] += GifIMax( -pix7[2], b_err * 7 / 16 ); } if(quantloc_3 < numPixels) { int32_t* pix3 = quantPixels+4*quantloc_3; pix3[0] += GifIMax( -pix3[0], r_err * 3 / 16 ); pix3[1] += GifIMax( -pix3[1], g_err * 3 / 16 ); pix3[2] += GifIMax( -pix3[2], b_err * 3 / 16 ); } if(quantloc_5 < numPixels) { int32_t* pix5 = quantPixels+4*quantloc_5; pix5[0] += GifIMax( -pix5[0], r_err * 5 / 16 ); pix5[1] += GifIMax( -pix5[1], g_err * 5 / 16 ); pix5[2] += GifIMax( -pix5[2], b_err * 5 / 16 ); } if(quantloc_1 < numPixels) { int32_t* pix1 = quantPixels+4*quantloc_1; pix1[0] += GifIMax( -pix1[0], r_err / 16 ); pix1[1] += GifIMax( -pix1[1], g_err / 16 ); pix1[2] += GifIMax( -pix1[2], b_err / 16 ); } } } // Copy the palettized result to the output buffer for( int ii=0; iir[bestInd]; outFrame[1] = pPal->g[bestInd]; outFrame[2] = pPal->b[bestInd]; outFrame[3] = (uint8_t)bestInd; } if(lastFrame) lastFrame += 4; outFrame += 4; nextFrame += 4; } } // Simple structure to write out the LZW-compressed portion of the image // one bit at a time typedef struct { uint8_t bitIndex; // how many bits in the partial byte written so far uint8_t byte; // current partial byte uint32_t chunkIndex; uint8_t chunk[256]; // bytes are written in here until we have 256 of them, then written to the file } GifBitStatus; // insert a single bit void GifWriteBit( GifBitStatus* stat, uint32_t bit ) { bit = bit & 1; bit = bit << stat->bitIndex; stat->byte |= bit; ++stat->bitIndex; if( stat->bitIndex > 7 ) { // move the newly-finished byte to the chunk buffer stat->chunk[stat->chunkIndex++] = stat->byte; // and start a new byte stat->bitIndex = 0; stat->byte = 0; } } // write all bytes so far to the file void GifWriteChunk( FILE* f, GifBitStatus* stat ) { fputc((int)stat->chunkIndex, f); fwrite(stat->chunk, 1, stat->chunkIndex, f); stat->bitIndex = 0; stat->byte = 0; stat->chunkIndex = 0; } void GifWriteCode( FILE* f, GifBitStatus* stat, uint32_t code, uint32_t length ) { for( uint32_t ii=0; ii> 1; if( stat->chunkIndex == 255 ) { GifWriteChunk(f, stat); } } } // The LZW dictionary is a 256-ary tree constructed as the file is encoded, // this is one node typedef struct { uint16_t m_next[256]; } GifLzwNode; // write a 256-color (8-bit) image palette to the file void GifWritePalette( const GifPalette* pPal, FILE* f ) { fputc(0, f); // first color: transparency fputc(0, f); fputc(0, f); for(int ii=1; ii<(1 << pPal->bitDepth); ++ii) { uint32_t r = pPal->r[ii]; uint32_t g = pPal->g[ii]; uint32_t b = pPal->b[ii]; fputc((int)r, f); fputc((int)g, f); fputc((int)b, f); } } // write the image header, LZW-compress and write out the image void GifWriteLzwImage(FILE* f, uint8_t* image, uint32_t left, uint32_t top, uint32_t width, uint32_t height, uint32_t delay, GifPalette* pPal) { // graphics control extension fputc(0x21, f); fputc(0xf9, f); fputc(0x04, f); fputc(0x05, f); // leave prev frame in place, this frame has transparency fputc(delay & 0xff, f); fputc((delay >> 8) & 0xff, f); fputc(kGifTransIndex, f); // transparent color index fputc(0, f); fputc(0x2c, f); // image descriptor block fputc(left & 0xff, f); // corner of image in canvas space fputc((left >> 8) & 0xff, f); fputc(top & 0xff, f); fputc((top >> 8) & 0xff, f); fputc(width & 0xff, f); // width and height of image fputc((width >> 8) & 0xff, f); fputc(height & 0xff, f); fputc((height >> 8) & 0xff, f); //fputc(0, f); // no local color table, no transparency //fputc(0x80, f); // no local color table, but transparency fputc(0x80 + pPal->bitDepth-1, f); // local color table present, 2 ^ bitDepth entries GifWritePalette(pPal, f); const int minCodeSize = pPal->bitDepth; const uint32_t clearCode = 1 << pPal->bitDepth; fputc(minCodeSize, f); // min code size 8 bits GifLzwNode* codetree = (GifLzwNode*)GIF_TEMP_MALLOC(sizeof(GifLzwNode)*4096); memset(codetree, 0, sizeof(GifLzwNode)*4096); int32_t curCode = -1; uint32_t codeSize = (uint32_t)minCodeSize + 1; uint32_t maxCode = clearCode+1; GifBitStatus stat; stat.byte = 0; stat.bitIndex = 0; stat.chunkIndex = 0; GifWriteCode(f, &stat, clearCode, codeSize); // start with a fresh LZW dictionary for(uint32_t yy=0; yy= (1ul << codeSize) ) { // dictionary entry count has broken a size barrier, // we need more bits for codes codeSize++; } if( maxCode == 4095 ) { // the dictionary is full, clear it out and begin anew GifWriteCode(f, &stat, clearCode, codeSize); // clear tree memset(codetree, 0, sizeof(GifLzwNode)*4096); codeSize = (uint32_t)(minCodeSize + 1); maxCode = clearCode+1; } curCode = nextValue; } } } // compression footer GifWriteCode(f, &stat, (uint32_t)curCode, codeSize); GifWriteCode(f, &stat, clearCode, codeSize); GifWriteCode(f, &stat, clearCode + 1, (uint32_t)minCodeSize + 1); // write out the last partial chunk while( stat.bitIndex ) GifWriteBit(&stat, 0); if( stat.chunkIndex ) GifWriteChunk(f, &stat); fputc(0, f); // image block terminator GIF_TEMP_FREE(codetree); } typedef struct { FILE* f; uint8_t* oldImage; bool firstFrame; } GifWriter; // Creates a gif file. // The input GIFWriter is assumed to be uninitialized. // The delay value is the time between frames in hundredths of a second - note that not all viewers pay much attention to this value. bool GifBegin( GifWriter* writer, const char* filename, uint32_t width, uint32_t height, uint32_t delay, int32_t bitDepth = 8, bool dither = false ) { (void)bitDepth; (void)dither; // Mute "Unused argument" warnings #if defined(_MSC_VER) && (_MSC_VER >= 1400) writer->f = 0; fopen_s(&writer->f, filename, "wb"); #else writer->f = fopen(filename, "wb"); #endif if(!writer->f) return false; writer->firstFrame = true; // allocate writer->oldImage = (uint8_t*)GIF_MALLOC(width*height*4); fputs("GIF89a", writer->f); // screen descriptor fputc(width & 0xff, writer->f); fputc((width >> 8) & 0xff, writer->f); fputc(height & 0xff, writer->f); fputc((height >> 8) & 0xff, writer->f); fputc(0xf0, writer->f); // there is an unsorted global color table of 2 entries fputc(0, writer->f); // background color fputc(0, writer->f); // pixels are square (we need to specify this because it's 1989) // now the "global" palette (really just a dummy palette) // color 0: black fputc(0, writer->f); fputc(0, writer->f); fputc(0, writer->f); // color 1: also black fputc(0, writer->f); fputc(0, writer->f); fputc(0, writer->f); if( delay != 0 ) { // animation header fputc(0x21, writer->f); // extension fputc(0xff, writer->f); // application specific fputc(11, writer->f); // length 11 fputs("NETSCAPE2.0", writer->f); // yes, really fputc(3, writer->f); // 3 bytes of NETSCAPE2.0 data fputc(1, writer->f); // JUST BECAUSE fputc(0, writer->f); // loop infinitely (byte 0) fputc(0, writer->f); // loop infinitely (byte 1) fputc(0, writer->f); // block terminator } return true; } // Writes out a new frame to a GIF in progress. // The GIFWriter should have been created by GIFBegin. // AFAIK, it is legal to use different bit depths for different frames of an image - // this may be handy to save bits in animations that don't change much. bool GifWriteFrame( GifWriter* writer, const uint8_t* image, uint32_t width, uint32_t height, uint32_t delay, int bitDepth = 8, bool dither = false ) { if(!writer->f) return false; const uint8_t* oldImage = writer->firstFrame? NULL : writer->oldImage; writer->firstFrame = false; GifPalette pal; GifMakePalette((dither? NULL : oldImage), image, width, height, bitDepth, dither, &pal); if(dither) GifDitherImage(oldImage, image, writer->oldImage, width, height, &pal); else GifThresholdImage(oldImage, image, writer->oldImage, width, height, &pal); GifWriteLzwImage(writer->f, writer->oldImage, 0, 0, width, height, delay, &pal); return true; } // Writes the EOF code, closes the file handle, and frees temp memory used by a GIF. // Many if not most viewers will still display a GIF properly if the EOF code is missing, // but it's still a good idea to write it out. bool GifEnd( GifWriter* writer ) { if(!writer->f) return false; fputc(0x3b, writer->f); // end of file fclose(writer->f); GIF_FREE(writer->oldImage); writer->f = NULL; writer->oldImage = NULL; return true; } #endif OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/000077500000000000000000000000001516317240700234705ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/AUTHORS.md000066400000000000000000000003361516317240700251410ustar00rootroot00000000000000## AUTHORS * Michael Kohn (2008-2011, original author of libkohn-avi) * Robin Hahling "Rolinh" (2013, gwavi fork of libkohn-avi) OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/CMakeLists.txt000066400000000000000000000006671516317240700262410ustar00rootroot00000000000000add_library(gwavi STATIC gwavi.c fileio.c avi-utils.c) set_target_properties(gwavi PROPERTIES POSITION_INDEPENDENT_CODE TRUE) target_include_directories(gwavi PUBLIC $) install(TARGETS gwavi EXPORT "AvogadroLibsTargets" RUNTIME DESTINATION "${INSTALL_RUNTIME_DIR}/avogadro2" LIBRARY DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2" ARCHIVE DESTINATION "${INSTALL_ARCHIVE_DIR}/avogadro2") OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/LICENSE000066400000000000000000000027771516317240700245120ustar00rootroot00000000000000Copyright (c) 2008-2011, Michael Kohn Copyright (c) 2013, Robin Hahling All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the author nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/README.md000066400000000000000000000052171516317240700247540ustar00rootroot00000000000000# DISCLAIMER Even though you can already generate AVI files, this library has not reached a final version yet and is still a work in progress. You've been warned... ;) # SYNOPSIS `libgwavi` is a fork of `libkohn-avi`. It is a tiny C library aimed at creating AVI files. Original credits go to Michael Kohn, who released his library under the LGPL license. He, however, allowed me to release my forked version under the less restrictive 3-clause BSD license so... Thanks to him! Anyway, why the fork you might ask? I used it in an application that needed the library to be reliable. So here is what has already changed from `libkohn-avi`: * added library documentation * removed dead code * improved error checking * added unit tests # BUILD This library has no dependencies, you only need the standard C library. To generate `libgwavi.so`, just type the following from the root's directory: make To generate the documentation of the library functions, type the following: make doc The code includes a demo application that uses `libgwavi`. You can build it using this command: make examples # HOW TO USE IT For a complete example, have a look at the demo application in the examples folder. If your in a hurry, here is a small explanation on how to use it. First, you need to include the header file. #include "gwavi.h" There is basically four main function that you will need to use: * `gwavi_open()` * `gwavi_add_frame()` * `gwavi_add_audio()` * `gwavi_close()` Please, note that error checking has been voluntarily omitted int the examples below for the sake of the clarification. So first, you should declare a `gwavi_t` structure and initialize it. You can optionally declare a `gwavi_audio_t` structure if you need to add an audio channel to your AVI file. struct gwavi_t *gwavi; struct gwavi_audio_t audio; gwavi = gwavi_open("foo.avi", 1920, 1080, "MJPG", 30, &audio); Note that the audio channel is optional and that you can pass `NULL` as the last argument of `gwavi_open()` if you don't need it. Then you add your video frames: gwavi_add_frame(gwavi, buffer, buffer_length); You can also add audio with `gwavi_add_audio()`. And at the end, you can close the output file and free the allocated memory by calling the `gwavi_close()` function. gwavi_close(gwavi); # DOCUMENTATION The library documentation can be generated with `make doc` if you have `doxygen` installed. Otherwise, you can just visit http://doc.gw-computing.net/libgwavi. OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/avi-utils.c000066400000000000000000000420601516317240700255530ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * Set of functions useful to create an AVI file. It is used to write things * such as AVI header and so on. */ #include #include #include "avi-utils.h" #include "fileio.h" int write_avi_header(FILE* out, struct gwavi_header_t* avi_header) { long marker, t; if (write_chars_bin(out, "avih", 4) == -1) { (void)fprintf(stderr, "write_avi_header: write_chars_bin() " "failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_avi_header (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_int(out, avi_header->time_delay) == -1) goto write_int_failed; if (write_int(out, avi_header->data_rate) == -1) goto write_int_failed; if (write_int(out, avi_header->reserved) == -1) goto write_int_failed; /* dwFlags */ if (write_int(out, avi_header->flags) == -1) goto write_int_failed; /* dwTotalFrames */ if (write_int(out, avi_header->number_of_frames) == -1) goto write_int_failed; if (write_int(out, avi_header->initial_frames) == -1) goto write_int_failed; if (write_int(out, avi_header->data_streams) == -1) goto write_int_failed; if (write_int(out, avi_header->buffer_size) == -1) goto write_int_failed; if (write_int(out, avi_header->width) == -1) goto write_int_failed; if (write_int(out, avi_header->height) == -1) goto write_int_failed; if (write_int(out, avi_header->time_scale) == -1) goto write_int_failed; if (write_int(out, avi_header->playback_data_rate) == -1) goto write_int_failed; if (write_int(out, avi_header->starting_time) == -1) goto write_int_failed; if (write_int(out, avi_header->data_length) == -1) goto write_int_failed; if ((t = ftell(out)) == -1) { perror("write_avi_header (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_avi_header (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_avi_header (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_avi_header: write_int() failed\n"); return -1; } int write_stream_header(FILE* out, struct gwavi_stream_header_t* stream_header) { long marker, t; if (write_chars_bin(out, "strh", 4) == -1) goto write_chars_bin_failed; if ((marker = ftell(out)) == -1) { perror("write_stream_header (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, stream_header->data_type, 4) == -1) goto write_chars_bin_failed; if (write_chars_bin(out, stream_header->codec, 4) == -1) goto write_chars_bin_failed; if (write_int(out, stream_header->flags) == -1) goto write_int_failed; if (write_int(out, stream_header->priority) == -1) goto write_int_failed; if (write_int(out, stream_header->initial_frames) == -1) goto write_int_failed; if (write_int(out, stream_header->time_scale) == -1) goto write_int_failed; if (write_int(out, stream_header->data_rate) == -1) goto write_int_failed; if (write_int(out, stream_header->start_time) == -1) goto write_int_failed; if (write_int(out, stream_header->data_length) == -1) goto write_int_failed; if (write_int(out, stream_header->buffer_size) == -1) goto write_int_failed; if (write_int(out, stream_header->video_quality) == -1) goto write_int_failed; if (write_int(out, stream_header->sample_size) == -1) goto write_int_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_int(out, 0) == -1) goto write_int_failed; if ((t = ftell(out)) == -1) { perror("write_stream_header (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_stream_header (fseek)"); return -1; } write_int(out, (unsigned int)(t - marker - 4)); if (fseek(out, t, SEEK_SET) == -1) { perror("write_stream_header (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_stream_header: write_int() failed\n"); return -1; write_chars_bin_failed: (void)fprintf(stderr, "write_stream_header: write_chars_bin() failed\n"); return -1; } int write_stream_format_v(FILE* out, struct gwavi_stream_format_v_t* stream_format_v) { long marker, t; unsigned int i; if (write_chars_bin(out, "strf", 4) == -1) { (void)fprintf(stderr, "write_stream_format_v: write_chars_bin()" " failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_stream_format_v (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_int(out, stream_format_v->header_size) == -1) goto write_int_failed; if (write_int(out, stream_format_v->width) == -1) goto write_int_failed; if (write_int(out, stream_format_v->height) == -1) goto write_int_failed; if (write_short(out, stream_format_v->num_planes) == -1) { (void)fprintf(stderr, "write_stream_format_v: write_short() " "failed\n"); return -1; } if (write_short(out, stream_format_v->bits_per_pixel) == -1) { (void)fprintf(stderr, "write_stream_format_v: write_short() " "failed\n"); return -1; } if (write_int(out, stream_format_v->compression_type) == -1) goto write_int_failed; if (write_int(out, stream_format_v->image_size) == -1) goto write_int_failed; if (write_int(out, stream_format_v->x_pels_per_meter) == -1) goto write_int_failed; if (write_int(out, stream_format_v->y_pels_per_meter) == -1) goto write_int_failed; if (write_int(out, stream_format_v->colors_used) == -1) goto write_int_failed; if (write_int(out, stream_format_v->colors_important) == -1) goto write_int_failed; if (stream_format_v->colors_used != 0) for (i = 0; i < stream_format_v->colors_used; i++) { if (fputc(stream_format_v->palette[i] & 255, out) == EOF) goto fputc_failed; if (fputc((stream_format_v->palette[i] >> 8) & 255, out) == EOF) goto fputc_failed; if (fputc((stream_format_v->palette[i] >> 16) & 255, out) == EOF) goto fputc_failed; if (fputc(0, out) == EOF) goto fputc_failed; } if ((t = ftell(out)) == -1) { perror("write_stream_format_v (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_stream_format_v (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_stream_format_v (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_stream_format_v: write_int() failed\n"); return -1; fputc_failed: (void)fprintf(stderr, "write_stream_format_v: fputc() failed\n"); return -1; } int write_stream_format_a(FILE* out, struct gwavi_stream_format_a_t* stream_format_a) { long marker, t; if (write_chars_bin(out, "strf", 4) == -1) { (void)fprintf(stderr, "write_stream_format_a: write_chars_bin()" " failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_stream_format_a (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_short(out, stream_format_a->format_type) == -1) goto write_short_failed; if (write_short(out, stream_format_a->channels) == -1) goto write_short_failed; if (write_int(out, stream_format_a->sample_rate) == -1) goto write_int_failed; if (write_int(out, stream_format_a->bytes_per_second) == -1) goto write_int_failed; if (write_short(out, stream_format_a->block_align) == -1) goto write_short_failed; if (write_short(out, stream_format_a->bits_per_sample) == -1) goto write_short_failed; if (write_short(out, stream_format_a->size) == -1) goto write_short_failed; if ((t = ftell(out)) == -1) { perror("write_stream_format_a (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_stream_format_a (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_stream_format_a (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_stream_format_a: write_int() failed\n"); return -1; write_short_failed: (void)fprintf(stderr, "write_stream_format_a: write_short() failed\n"); return -1; } int write_avi_header_chunk(struct gwavi_t* gwavi) { long marker, t; long sub_marker; FILE* out = gwavi->out; if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((marker = ftell(out)) == -1) goto ftell_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, "hdrl", 4) == -1) goto write_chars_bin_failed; if (write_avi_header(out, &gwavi->avi_header) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_avi_header() failed\n"); return -1; } if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((sub_marker = ftell(out)) == -1) goto ftell_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, "strl", 4) == -1) goto write_chars_bin_failed; if (write_stream_header(out, &gwavi->stream_header_v) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_header failed\n"); return -1; } if (write_stream_format_v(out, &gwavi->stream_format_v) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_format_v failed\n"); return -1; } if ((t = ftell(out)) == -1) goto ftell_failed; if (fseek(out, sub_marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(out, (unsigned int)(t - sub_marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) goto fseek_failed; if (gwavi->avi_header.data_streams == 2) { if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((sub_marker = ftell(out)) == -1) goto ftell_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, "strl", 4) == -1) goto write_chars_bin_failed; if (write_stream_header(out, &gwavi->stream_header_a) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_header failed\n"); return -1; } if (write_stream_format_a(out, &gwavi->stream_format_a) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_format_a failed\n"); return -1; } if ((t = ftell(out)) == -1) goto ftell_failed; if (fseek(out, sub_marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(out, (unsigned int)(t - sub_marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) goto fseek_failed; } if ((t = ftell(out)) == -1) goto ftell_failed; if (fseek(out, marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) goto fseek_failed; return 0; ftell_failed: perror("write_avi_header_chunk (ftell)"); return -1; fseek_failed: perror("write_avi_header_chunk (fseek)"); return -1; write_int_failed: (void)fprintf(stderr, "write_avi_header_chunk: write_int() failed\n"); return -1; write_chars_bin_failed: (void)fprintf(stderr, "write_avi_header_chunk: write_chars_bin() failed\n"); return -1; } int write_index(FILE* out, int count, unsigned int* offsets) { long marker, t; unsigned int offset = 4; if (offsets == 0) return -1; if (write_chars_bin(out, "idx1", 4) == -1) { (void)fprintf(stderr, "write_index: write_chars_bin) failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_index (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; for (t = 0; t < count; t++) { if ((offsets[t] & 0x80000000) == 0) write_chars(out, "00dc"); else { write_chars(out, "01wb"); offsets[t] &= 0x7fffffff; } if (write_int(out, 0x10) == -1) goto write_int_failed; if (write_int(out, offset) == -1) goto write_int_failed; if (write_int(out, offsets[t]) == -1) goto write_int_failed; offset = offset + offsets[t] + 8; } if ((t = ftell(out)) == -1) { perror("write_index (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_index (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_index (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_index: write_int() failed\n"); return -1; } /** * Return 0 if fourcc is valid, 1 non-valid or -1 in case of errors. */ int check_fourcc(const char* fourcc) { int ret = 0; /* list of fourccs from http://fourcc.org/codecs.php */ const char valid_fourcc[] = "3IV1 3IV2 8BPS" "AASC ABYR ADV1 ADVJ AEMI AFLC AFLI AJPG AMPG ANIM AP41 ASLC" "ASV1 ASV2 ASVX AUR2 AURA AVC1 AVRN" "BA81 BINK BLZ0 BT20 BTCV BW10 BYR1 BYR2" "CC12 CDVC CFCC CGDI CHAM CJPG CMYK CPLA CRAM CSCD CTRX CVID" "CWLT CXY1 CXY2 CYUV CYUY" "D261 D263 DAVC DCL1 DCL2 DCL3 DCL4 DCL5 DIV3 DIV4 DIV5 DIVX" "DM4V DMB1 DMB2 DMK2 DSVD DUCK DV25 DV50 DVAN DVCS DVE2 DVH1" "DVHD DVSD DVSL DVX1 DVX2 DVX3 DX50 DXGM DXTC DXTN" "EKQ0 ELK0 EM2V ES07 ESCP ETV1 ETV2 ETVC" "FFV1 FLJP FMP4 FMVC FPS1 FRWA FRWD FVF1" "GEOX GJPG GLZW GPEG GWLT" "H260 H261 H262 H263 H264 H265 H266 H267 H268 H269" "HDYC HFYU HMCR HMRR" "I263 ICLB IGOR IJPG ILVC ILVR IPDV IR21 IRAW ISME" "IV30 IV31 IV32 IV33 IV34 IV35 IV36 IV37 IV38 IV39 IV40 IV41" "IV41 IV43 IV44 IV45 IV46 IV47 IV48 IV49 IV50" "JBYR JPEG JPGL" "KMVC" "L261 L263 LBYR LCMW LCW2 LEAD LGRY LJ11 LJ22 LJ2K LJ44 LJPG" "LMP2 LMP4 LSVC LSVM LSVX LZO1" "M261 M263 M4CC M4S2 MC12 MCAM MJ2C MJPG MMES MP2A MP2T MP2V" "MP42 MP43 MP4A MP4S MP4T MP4V MPEG MPG4 MPGI MR16 MRCA MRLE" "MSVC MSZH" "MTX1 MTX2 MTX3 MTX4 MTX5 MTX6 MTX7 MTX8 MTX9" "MVI1 MVI2 MWV1" "NAVI NDSC NDSM NDSP NDSS NDXC NDXH NDXP NDXS NHVU NTN1 NTN2" "NVDS NVHS" "NVS0 NVS1 NVS2 NVS3 NVS4 NVS5" "NVT0 NVT1 NVT2 NVT3 NVT4 NVT5" "PDVC PGVV PHMO PIM1 PIM2 PIMJ PIXL PJPG PVEZ PVMM PVW2" "QPEG QPEQ" "RGBT RLE RLE4 RLE8 RMP4 RPZA RT21 RV20 RV30 RV40 S422 SAN3" "SDCC SEDG SFMC SMP4 SMSC SMSD SMSV SP40 SP44 SP54 SPIG SQZ2" "STVA STVB STVC STVX STVY SV10 SVQ1 SVQ3" "TLMS TLST TM20 TM2X TMIC TMOT TR20 TSCC TV10 TVJP TVMJ TY0N" "TY2C TY2N" "UCOD ULTI" "V210 V261 V655 VCR1 VCR2 VCR3 VCR4 VCR5 VCR6 VCR7 VCR8 VCR9" "VDCT VDOM VDTZ VGPX VIDS VIFP VIVO VIXL VLV1 VP30 VP31 VP40" "VP50 VP60 VP61 VP62 VP70 VP80 VQC1 VQC2 VQJC VSSV VUUU VX1K" "VX2K VXSP VYU9 VYUY" "WBVC WHAM WINX WJPG WMV1 WMV2 WMV3 WMVA WNV1 WVC1" "X263 X264 XLV0 XMPG XVID" "XWV0 XWV1 XWV2 XWV3 XWV4 XWV5 XWV6 XWV7 XWV8 XWV9" "XXAN" "Y16 Y411 Y41P Y444 Y8 YC12 YUV8 YUV9 YUVP YUY2 YUYV YV12 YV16" "YV92" "ZLIB ZMBV ZPEG ZYGO ZYYY"; if (!fourcc) { (void)fputs("fourcc cannot be NULL", stderr); return -1; } if (strchr(fourcc, ' ') || !strstr(valid_fourcc, fourcc)) ret = 1; return ret; } OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/avi-utils.h000066400000000000000000000046231516317240700255630ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ #ifndef H_GWAVI_UTILS #define H_GWAVI_UTILS #include "gwavi.h" #include "gwavi_private.h" /* * Utility functions for gwavi library. */ #ifdef __cplusplus extern "C" { #endif /* Functions declaration */ int write_avi_header(FILE* out, struct gwavi_header_t* avi_header); int write_stream_header(FILE* out, struct gwavi_stream_header_t* stream_header); int write_stream_format_v(FILE* out, struct gwavi_stream_format_v_t* stream_format_v); int write_stream_format_a(FILE* out, struct gwavi_stream_format_a_t* stream_format_a); int write_avi_header_chunk(struct gwavi_t* gwavi); int write_index(FILE* out, int count, unsigned int* offsets); int check_fourcc(const char* fourcc); #ifdef __cplusplus } #endif #endif /* ndef GWAVI_UTILS_H */ OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/fileio.c000066400000000000000000000045731516317240700251140ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * Usefull IO functions. */ #include int write_int(FILE* out, unsigned int n) { if (fputc((n & 255), out) == EOF) return -1; if (fputc(((n >> 8) & 255), out) == EOF) return -1; if (fputc(((n >> 16) & 255), out) == EOF) return -1; if (fputc(((n >> 24) & 255), out) == EOF) return -1; return 0; } int write_short(FILE* out, unsigned int n) { if (fputc((n & 255), out) == EOF) return -1; if (fputc(((n >> 8) & 255), out) == EOF) return -1; return 0; } int write_chars(FILE* out, char* s) { int t = 0; while (s[t] != 0 && t < 255) if (fputc(s[t++], out) == EOF) return -1; return 0; } int write_chars_bin(FILE* out, char* s, int count) { int t; for (t = 0; t < count; t++) if (fputc(s[t], out) == EOF) return -1; return 0; } OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/fileio.h000066400000000000000000000037021516317240700251120ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * Header file for fileio.c */ #ifndef H_FILEIO #define H_FILEIO #ifdef __cplusplus extern "C" { #endif /* Function prototypes */ int write_int(FILE* out, unsigned int n); int write_short(FILE* out, unsigned int n); int write_chars(FILE* out, char* s); int write_chars_bin(FILE* out, char* s, int count); #ifdef __cplusplus } #endif #endif /* ndef H_FILEIO */ OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/gwavi.c000066400000000000000000000376601516317240700247650ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * This is the file containing gwavi library functions. */ #include #include #include #include "avi-utils.h" #include "fileio.h" #include "gwavi.h" #include "gwavi_private.h" /** * This is the first function you should call when using gwavi library. * It allocates memory for a gwavi_t structure and returns it and takes care of * initializing the AVI header with the provided information. * * When you're done creating your AVI file, you should call gwavi_close() * function to free memory allocated for the gwavi_t structure and properly * close the output file. * * @param filename This is the name of the AVI file which will be generated by * this library. * @param width Width of a frame. * @param height Height of a frame. * @param fourcc FourCC representing the codec of the video encoded stream. a * FourCC is a sequence of four chars used to uniquely identify data formats. * For more information, you can visit www.fourcc.org. * @param fps Number of frames per second of your video. It needs to be > 0. * @param audio This parameter is optional. It is used for the audio track. If * you do not want to add an audio track to your AVI file, simply pass NULL for * this argument. * * @return Structure containing required information in order to create the AVI * file. If an error occurred, NULL is returned. */ struct gwavi_t* gwavi_open(const char* filename, unsigned int width, unsigned int height, const char* fourcc, unsigned int fps, struct gwavi_audio_t* audio) { struct gwavi_t* gwavi; FILE* out; if (check_fourcc(fourcc) != 0) (void)fprintf(stderr, "WARNING: given fourcc does not seem to " "be valid: %s\n", fourcc); if (fps < 1) return NULL; if ((out = fopen(filename, "wb+")) == NULL) { perror("gwavi_open: failed to open file for writing"); return NULL; } if ((gwavi = malloc(sizeof(struct gwavi_t))) == NULL) { (void)fprintf(stderr, "gwavi_open: could not allocate memoryi " "for gwavi structure\n"); return NULL; } memset(gwavi, 0, sizeof(struct gwavi_t)); gwavi->out = out; /* set avi header */ gwavi->avi_header.time_delay = 1000000 / fps; gwavi->avi_header.data_rate = width * height * 3; gwavi->avi_header.flags = 0x10; if (audio) gwavi->avi_header.data_streams = 2; else gwavi->avi_header.data_streams = 1; /* this field gets updated when calling gwavi_close() */ gwavi->avi_header.number_of_frames = 0; gwavi->avi_header.width = width; gwavi->avi_header.height = height; gwavi->avi_header.buffer_size = (width * height * 3); /* set stream header */ (void)strncpy(gwavi->stream_header_v.data_type, "vids", 5); (void)memcpy(gwavi->stream_header_v.codec, fourcc, 4); gwavi->stream_header_v.time_scale = 1; gwavi->stream_header_v.data_rate = fps; gwavi->stream_header_v.buffer_size = (width * height * 3); gwavi->stream_header_v.data_length = 0; /* set stream format */ gwavi->stream_format_v.header_size = 40; gwavi->stream_format_v.width = width; gwavi->stream_format_v.height = height; gwavi->stream_format_v.num_planes = 1; gwavi->stream_format_v.bits_per_pixel = 24; gwavi->stream_format_v.compression_type = ((unsigned int)fourcc[3] << 24) + ((unsigned int)fourcc[2] << 16) + ((unsigned int)fourcc[1] << 8) + ((unsigned int)fourcc[0]); gwavi->stream_format_v.image_size = width * height * 3; gwavi->stream_format_v.colors_used = 0; gwavi->stream_format_v.colors_important = 0; gwavi->stream_format_v.palette = 0; gwavi->stream_format_v.palette_count = 0; if (audio) { /* set stream header */ memcpy(gwavi->stream_header_a.data_type, "auds", 4); gwavi->stream_header_a.codec[0] = 1; gwavi->stream_header_a.codec[1] = 0; gwavi->stream_header_a.codec[2] = 0; gwavi->stream_header_a.codec[3] = 0; gwavi->stream_header_a.time_scale = 1; gwavi->stream_header_a.data_rate = audio->samples_per_second; gwavi->stream_header_a.buffer_size = audio->channels * (audio->bits / 8) * audio->samples_per_second; /* when set to -1, drivers use default quality value */ gwavi->stream_header_a.audio_quality = -1; gwavi->stream_header_a.sample_size = (audio->bits / 8) * audio->channels; /* set stream format */ gwavi->stream_format_a.format_type = 1; gwavi->stream_format_a.channels = audio->channels; gwavi->stream_format_a.sample_rate = audio->samples_per_second; gwavi->stream_format_a.bytes_per_second = audio->channels * (audio->bits / 8) * audio->samples_per_second; gwavi->stream_format_a.block_align = audio->channels * (audio->bits / 8); gwavi->stream_format_a.bits_per_sample = audio->bits; gwavi->stream_format_a.size = 0; } if (write_chars_bin(out, "RIFF", 4) == -1) goto write_chars_bin_failed; if (write_int(out, 0) == -1) { (void)fprintf(stderr, "gwavi_info: write_int() failed\n"); return NULL; } if (write_chars_bin(out, "AVI ", 4) == -1) goto write_chars_bin_failed; if (write_avi_header_chunk(gwavi) == -1) { (void)fprintf(stderr, "gwavi_info: write_avi_header_chunk " "failed\n"); return NULL; } if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((gwavi->marker = ftell(out)) == -1) { perror("gwavi_info (ftell)"); return NULL; } if (write_int(out, 0) == -1) { (void)fprintf(stderr, "gwavi_info: write_int() failed\n"); return NULL; } if (write_chars_bin(out, "movi", 4) == -1) goto write_chars_bin_failed; gwavi->offsets_len = 1024; if ((gwavi->offsets = malloc((size_t)gwavi->offsets_len * sizeof(unsigned int))) == NULL) { (void)fprintf(stderr, "gwavi_info: could not allocate memory " "for gwavi offsets table\n"); return NULL; } gwavi->offsets_ptr = 0; return gwavi; write_chars_bin_failed: (void)fprintf(stderr, "gwavi_open: write_chars_bin() failed\n"); return NULL; } /** * This function allows you to add an encoded video frame to the AVI file. * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param buffer Video buffer size. * @param len Video buffer length. * * @return 0 on success, -1 on error. */ int gwavi_add_frame(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len) { size_t maxi_pad; /* if your frame is raggin, give it some paddin' */ size_t t; if (!gwavi || !buffer) { (void)fputs("gwavi and/or buffer argument cannot be NULL", stderr); return -1; } if (len < 256) (void)fprintf(stderr, "WARNING: specified buffer len seems " "rather small: %d. Are you sure about this?\n", (int)len); gwavi->offset_count++; gwavi->stream_header_v.data_length++; maxi_pad = len % 4; if (maxi_pad > 0) maxi_pad = 4 - maxi_pad; if (gwavi->offset_count >= gwavi->offsets_len) { gwavi->offsets_len += 1024; gwavi->offsets = realloc(gwavi->offsets, (size_t)gwavi->offsets_len * sizeof(unsigned int)); } gwavi->offsets[gwavi->offsets_ptr++] = (unsigned int)(len + maxi_pad); if (write_chars_bin(gwavi->out, "00dc", 4) == -1) { (void)fprintf(stderr, "gwavi_add_frame: write_chars_bin() " "failed\n"); return -1; } if (write_int(gwavi->out, (unsigned int)(len + maxi_pad)) == -1) { (void)fprintf(stderr, "gwavi_add_frame: write_int() failed\n"); return -1; } if ((t = fwrite(buffer, 1, len, gwavi->out)) != len) { (void)fprintf(stderr, "gwavi_add_frame: fwrite() failed\n"); return -1; } for (t = 0; t < maxi_pad; t++) if (fputc(0, gwavi->out) == EOF) { (void)fprintf(stderr, "gwavi_add_frame: fputc() failed\n"); return -1; } return 0; } /** * This function allows you to add the audio track to your AVI file. * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param buffer Audio buffer size. * @param len Audio buffer length. * * @return 0 on success, -1 on error. */ int gwavi_add_audio(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len) { size_t maxi_pad; /* in case audio bleeds over the 4 byte boundary */ size_t t; if (!gwavi || !buffer) { (void)fputs("gwavi and/or buffer argument cannot be NULL", stderr); return -1; } gwavi->offset_count++; maxi_pad = len % 4; if (maxi_pad > 0) maxi_pad = 4 - maxi_pad; if (gwavi->offset_count >= gwavi->offsets_len) { gwavi->offsets_len += 1024; gwavi->offsets = realloc(gwavi->offsets, (size_t)gwavi->offsets_len * sizeof(unsigned int)); } gwavi->offsets[gwavi->offsets_ptr++] = (unsigned int)((len + maxi_pad) | 0x80000000); if (write_chars_bin(gwavi->out, "01wb", 4) == -1) { (void)fprintf(stderr, "gwavi_add_audio: write_chars_bin() " "failed\n"); return -1; } if (write_int(gwavi->out, (unsigned int)(len + maxi_pad)) == -1) { (void)fprintf(stderr, "gwavi_add_audio: write_int() failed\n"); return -1; } if ((t = fwrite(buffer, 1, len, gwavi->out)) != len) { (void)fprintf(stderr, "gwavi_add_audio: fwrite() failed\n"); return -1; } for (t = 0; t < maxi_pad; t++) if (fputc(0, gwavi->out) == EOF) { (void)fprintf(stderr, "gwavi_add_audio: fputc() failed\n"); return -1; } gwavi->stream_header_a.data_length += (unsigned int)(len + maxi_pad); return 0; } /** * This function should be called when the program is done adding video and/or * audio frames to the AVI file. It frees memory allocated for gwavi_open() for * the main gwavi_t structure. It also properly closes the output file. * * @param gwavi Main gwavi structure initialized with gwavi_open()- * * @return 0 on success, -1 on error. */ int gwavi_close(struct gwavi_t* gwavi) { long t; if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } if ((t = ftell(gwavi->out)) == -1) goto ftell_failed; if (fseek(gwavi->out, gwavi->marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(gwavi->out, (unsigned int)(t - gwavi->marker - 4)) == -1) { (void)fprintf(stderr, "gwavi_close: write_int() failed\n"); return -1; } if (fseek(gwavi->out, t, SEEK_SET) == -1) goto fseek_failed; if (write_index(gwavi->out, gwavi->offset_count, gwavi->offsets) == -1) { (void)fprintf(stderr, "gwavi_close: write_index() failed\n"); return -1; } free(gwavi->offsets); /* reset some avi header fields */ gwavi->avi_header.number_of_frames = gwavi->stream_header_v.data_length; if ((t = ftell(gwavi->out)) == -1) goto ftell_failed; if (fseek(gwavi->out, 12, SEEK_SET) == -1) goto fseek_failed; if (write_avi_header_chunk(gwavi) == -1) { (void)fprintf(stderr, "gwavi_close: write_avi_header_chunk() " "failed\n"); return -1; } if (fseek(gwavi->out, t, SEEK_SET) == -1) goto fseek_failed; if ((t = ftell(gwavi->out)) == -1) goto ftell_failed; if (fseek(gwavi->out, 4, SEEK_SET) == -1) goto fseek_failed; if (write_int(gwavi->out, (unsigned int)(t - 8)) == -1) { (void)fprintf(stderr, "gwavi_close: write_int() failed\n"); return -1; } if (fseek(gwavi->out, t, SEEK_SET) == -1) goto fseek_failed; if (gwavi->stream_format_v.palette != 0) free(gwavi->stream_format_v.palette); if (fclose(gwavi->out) == EOF) { perror("gwavi_close (fclose)"); return -1; } free(gwavi); return 0; ftell_failed: perror("gwavi_close: (ftell)"); return -1; fseek_failed: perror("gwavi_close (fseek)"); return -1; } /** * This function allows you to reset the framerate. In a standard use case, you * should not need to call it. However, if you need to, you can call it to reset * the framerate after you are done adding frames to your AVI file and before * you call gwavi_close(). * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param fps Number of frames per second of your video. * * @return 0 on success, -1 on error. */ int gwavi_set_framerate(struct gwavi_t* gwavi, unsigned int fps) { if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } gwavi->stream_header_v.data_rate = fps; gwavi->avi_header.time_delay = (10000000 / fps); return 0; } /** * This function allows you to reset the video codec. In a standard use case, * you should not need to call it. However, if you need to, you can call it to * reset the video codec after you are done adding frames to your AVI file and * before you call gwavi_close(). * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param fourcc FourCC representing the codec of the video encoded stream. a * * @return 0 on success, -1 on error. */ int gwavi_set_codec(struct gwavi_t* gwavi, char* fourcc) { if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } if (check_fourcc(fourcc) != 0) (void)fprintf(stderr, "WARNING: given fourcc does not seem to " "be valid: %s\n", fourcc); memcpy(gwavi->stream_header_v.codec, fourcc, 4); gwavi->stream_format_v.compression_type = ((unsigned int)fourcc[3] << 24) + ((unsigned int)fourcc[2] << 16) + ((unsigned int)fourcc[1] << 8) + ((unsigned int)fourcc[0]); return 0; } /** * This function allows you to reset the video size. In a standard use case, you * should not need to call it. However, if you need to, you can call it to reset * the video height and width set in the AVI file after you are done adding * frames to your AVI file and before you call gwavi_close(). * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param width Width of a frame. * @param height Height of a frame. * * @return 0 on success, -1 on error. */ int gwavi_set_size(struct gwavi_t* gwavi, unsigned int width, unsigned int height) { unsigned int size = (width * height * 3); if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } gwavi->avi_header.data_rate = size; gwavi->avi_header.width = width; gwavi->avi_header.height = height; gwavi->avi_header.buffer_size = size; gwavi->stream_header_v.buffer_size = size; gwavi->stream_format_v.width = width; gwavi->stream_format_v.height = height; gwavi->stream_format_v.image_size = size; return 0; } OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/gwavi.h000066400000000000000000000054101516317240700247560ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ #ifndef H_GWAVI #define H_GWAVI #ifdef __cplusplus extern "C" { #endif /* structures */ struct gwavi_t; struct gwavi_audio_t; /* Main library functions */ struct gwavi_t* gwavi_open(const char* filename, unsigned int width, unsigned int height, const char* fourcc, unsigned int fps, struct gwavi_audio_t* audio); int gwavi_add_frame(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len); int gwavi_add_audio(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len); int gwavi_close(struct gwavi_t* gwavi); /* * If needed, these functions can be called before closing the file to * change the framerate, codec, size. * Note: AVI can only have a single frame rate, codec, size for the whole file * so this affects anything recorded before these functions are called. */ int gwavi_set_framerate(struct gwavi_t* gwavi, unsigned int fps); int gwavi_set_codec(struct gwavi_t* gwavi, char* fourcc); int gwavi_set_size(struct gwavi_t* gwavi, unsigned int width, unsigned int height); #ifdef __cplusplus } #endif #endif /* ndef H_GWAVI */ OpenChemistry-avogadrolibs-ceb949f/thirdparty/libgwavi/gwavi_private.h000066400000000000000000000055231516317240700265150ustar00rootroot00000000000000#ifndef GWAVI_PRIVATE_H #define GWAVI_PRIVATE_H /* * gwavi_private.h * * gwavi declarations that shall remain private :-) */ #include #ifdef __cplusplus extern "C" { #endif /* structures */ struct gwavi_header_t { unsigned int time_delay; /* dwMicroSecPerFrame */ unsigned int data_rate; /* dwMaxBytesPerSec */ unsigned int reserved; unsigned int flags; /* dwFlags */ unsigned int number_of_frames; /* dwTotalFrames */ unsigned int initial_frames; /* dwInitialFrames */ unsigned int data_streams; /* dwStreams */ unsigned int buffer_size; /* dwSuggestedBufferSize */ unsigned int width; /* dwWidth */ unsigned int height; /* dwHeight */ unsigned int time_scale; unsigned int playback_data_rate; unsigned int starting_time; unsigned int data_length; }; struct gwavi_stream_header_t { char data_type[5]; /* fccType */ char codec[5]; /* fccHandler */ unsigned int flags; /* dwFlags */ unsigned int priority; unsigned int initial_frames; /* dwInitialFrames */ unsigned int time_scale; /* dwScale */ unsigned int data_rate; /* dwRate */ unsigned int start_time; /* dwStart */ unsigned int data_length; /* dwLength */ unsigned int buffer_size; /* dwSuggestedBufferSize */ unsigned int video_quality; /* dwQuality */ /** * Value between 0-10000. If set to -1, drivers use default quality * value. */ int audio_quality; unsigned int sample_size; /* dwSampleSize */ }; struct gwavi_stream_format_v_t { unsigned int header_size; unsigned int width; unsigned int height; unsigned short int num_planes; unsigned short int bits_per_pixel; unsigned int compression_type; unsigned int image_size; unsigned int x_pels_per_meter; unsigned int y_pels_per_meter; unsigned int colors_used; unsigned int colors_important; unsigned int* palette; unsigned int palette_count; }; struct gwavi_stream_format_a_t { unsigned short format_type; unsigned int channels; unsigned int sample_rate; unsigned int bytes_per_second; unsigned int block_align; unsigned int bits_per_sample; unsigned short size; }; struct gwavi_t { FILE* out; struct gwavi_header_t avi_header; struct gwavi_stream_header_t stream_header_v; struct gwavi_stream_format_v_t stream_format_v; struct gwavi_stream_header_t stream_header_a; struct gwavi_stream_format_a_t stream_format_a; long marker; int offsets_ptr; int offsets_len; long offsets_start; unsigned int* offsets; int offset_count; }; struct gwavi_audio_t { unsigned int channels; unsigned int bits; unsigned int samples_per_second; }; #ifdef __cplusplus } #endif #endif /* ndef GWAVI_PRIVATE_H */ OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/000077500000000000000000000000001516317240700234765ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/adl_serializer.hpp000066400000000000000000000043471516317240700272100ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN /// @sa https://json.nlohmann.me/api/adl_serializer/ template struct adl_serializer { /// @brief convert a JSON value to any value type /// @sa https://json.nlohmann.me/api/adl_serializer/from_json/ template static auto from_json(BasicJsonType && j, TargetType& val) noexcept( noexcept(::nlohmann::from_json(std::forward(j), val))) -> decltype(::nlohmann::from_json(std::forward(j), val), void()) { ::nlohmann::from_json(std::forward(j), val); } /// @brief convert a JSON value to any value type /// @sa https://json.nlohmann.me/api/adl_serializer/from_json/ template static auto from_json(BasicJsonType && j) noexcept( noexcept(::nlohmann::from_json(std::forward(j), detail::identity_tag {}))) -> decltype(::nlohmann::from_json(std::forward(j), detail::identity_tag {})) { return ::nlohmann::from_json(std::forward(j), detail::identity_tag {}); } /// @brief convert any value type to a JSON value /// @sa https://json.nlohmann.me/api/adl_serializer/to_json/ template static auto to_json(BasicJsonType& j, TargetType && val) noexcept( noexcept(::nlohmann::to_json(j, std::forward(val)))) -> decltype(::nlohmann::to_json(j, std::forward(val)), void()) { ::nlohmann::to_json(j, std::forward(val)); } }; NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/byte_container_with_subtype.hpp000066400000000000000000000067151516317240700320330ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // uint8_t, uint64_t #include // tie #include // move #include NLOHMANN_JSON_NAMESPACE_BEGIN /// @brief an internal type for a backed binary type /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/ template class byte_container_with_subtype : public BinaryType { public: using container_type = BinaryType; using subtype_type = std::uint64_t; /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/byte_container_with_subtype/ byte_container_with_subtype() noexcept(noexcept(container_type())) : container_type() {} /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/byte_container_with_subtype/ byte_container_with_subtype(const container_type& b) noexcept(noexcept(container_type(b))) : container_type(b) {} /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/byte_container_with_subtype/ byte_container_with_subtype(container_type&& b) noexcept(noexcept(container_type(std::move(b)))) : container_type(std::move(b)) {} /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/byte_container_with_subtype/ byte_container_with_subtype(const container_type& b, subtype_type subtype_) noexcept(noexcept(container_type(b))) : container_type(b) , m_subtype(subtype_) , m_has_subtype(true) {} /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/byte_container_with_subtype/ byte_container_with_subtype(container_type&& b, subtype_type subtype_) noexcept(noexcept(container_type(std::move(b)))) : container_type(std::move(b)) , m_subtype(subtype_) , m_has_subtype(true) {} bool operator==(const byte_container_with_subtype& rhs) const { return std::tie(static_cast(*this), m_subtype, m_has_subtype) == std::tie(static_cast(rhs), rhs.m_subtype, rhs.m_has_subtype); } bool operator!=(const byte_container_with_subtype& rhs) const { return !(rhs == *this); } /// @brief sets the binary subtype /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/set_subtype/ void set_subtype(subtype_type subtype_) noexcept { m_subtype = subtype_; m_has_subtype = true; } /// @brief return the binary subtype /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/subtype/ constexpr subtype_type subtype() const noexcept { return m_has_subtype ? m_subtype : static_cast(-1); } /// @brief return whether the value has a subtype /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/has_subtype/ constexpr bool has_subtype() const noexcept { return m_has_subtype; } /// @brief clears the binary subtype /// @sa https://json.nlohmann.me/api/byte_container_with_subtype/clear_subtype/ void clear_subtype() noexcept { m_subtype = 0; m_has_subtype = false; } private: subtype_type m_subtype = 0; bool m_has_subtype = false; }; NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/000077500000000000000000000000001516317240700247405ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/abi_macros.hpp000066400000000000000000000073371516317240700275620ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once // This file contains all macro definitions affecting or depending on the ABI #ifndef JSON_SKIP_LIBRARY_VERSION_CHECK #if defined(NLOHMANN_JSON_VERSION_MAJOR) && defined(NLOHMANN_JSON_VERSION_MINOR) && defined(NLOHMANN_JSON_VERSION_PATCH) #if NLOHMANN_JSON_VERSION_MAJOR != 3 || NLOHMANN_JSON_VERSION_MINOR != 11 || NLOHMANN_JSON_VERSION_PATCH != 3 #warning "Already included a different version of the library!" #endif #endif #endif #define NLOHMANN_JSON_VERSION_MAJOR 3 // NOLINT(modernize-macro-to-enum) #define NLOHMANN_JSON_VERSION_MINOR 11 // NOLINT(modernize-macro-to-enum) #define NLOHMANN_JSON_VERSION_PATCH 3 // NOLINT(modernize-macro-to-enum) #ifndef JSON_DIAGNOSTICS #define JSON_DIAGNOSTICS 0 #endif #ifndef JSON_USE_LEGACY_DISCARDED_VALUE_COMPARISON #define JSON_USE_LEGACY_DISCARDED_VALUE_COMPARISON 0 #endif #if JSON_DIAGNOSTICS #define NLOHMANN_JSON_ABI_TAG_DIAGNOSTICS _diag #else #define NLOHMANN_JSON_ABI_TAG_DIAGNOSTICS #endif #if JSON_USE_LEGACY_DISCARDED_VALUE_COMPARISON #define NLOHMANN_JSON_ABI_TAG_LEGACY_DISCARDED_VALUE_COMPARISON _ldvcmp #else #define NLOHMANN_JSON_ABI_TAG_LEGACY_DISCARDED_VALUE_COMPARISON #endif #ifndef NLOHMANN_JSON_NAMESPACE_NO_VERSION #define NLOHMANN_JSON_NAMESPACE_NO_VERSION 0 #endif // Construct the namespace ABI tags component #define NLOHMANN_JSON_ABI_TAGS_CONCAT_EX(a, b) json_abi ## a ## b #define NLOHMANN_JSON_ABI_TAGS_CONCAT(a, b) \ NLOHMANN_JSON_ABI_TAGS_CONCAT_EX(a, b) #define NLOHMANN_JSON_ABI_TAGS \ NLOHMANN_JSON_ABI_TAGS_CONCAT( \ NLOHMANN_JSON_ABI_TAG_DIAGNOSTICS, \ NLOHMANN_JSON_ABI_TAG_LEGACY_DISCARDED_VALUE_COMPARISON) // Construct the namespace version component #define NLOHMANN_JSON_NAMESPACE_VERSION_CONCAT_EX(major, minor, patch) \ _v ## major ## _ ## minor ## _ ## patch #define NLOHMANN_JSON_NAMESPACE_VERSION_CONCAT(major, minor, patch) \ NLOHMANN_JSON_NAMESPACE_VERSION_CONCAT_EX(major, minor, patch) #if NLOHMANN_JSON_NAMESPACE_NO_VERSION #define NLOHMANN_JSON_NAMESPACE_VERSION #else #define NLOHMANN_JSON_NAMESPACE_VERSION \ NLOHMANN_JSON_NAMESPACE_VERSION_CONCAT(NLOHMANN_JSON_VERSION_MAJOR, \ NLOHMANN_JSON_VERSION_MINOR, \ NLOHMANN_JSON_VERSION_PATCH) #endif // Combine namespace components #define NLOHMANN_JSON_NAMESPACE_CONCAT_EX(a, b) a ## b #define NLOHMANN_JSON_NAMESPACE_CONCAT(a, b) \ NLOHMANN_JSON_NAMESPACE_CONCAT_EX(a, b) #ifndef NLOHMANN_JSON_NAMESPACE #define NLOHMANN_JSON_NAMESPACE \ nlohmann::NLOHMANN_JSON_NAMESPACE_CONCAT( \ NLOHMANN_JSON_ABI_TAGS, \ NLOHMANN_JSON_NAMESPACE_VERSION) #endif #ifndef NLOHMANN_JSON_NAMESPACE_BEGIN #define NLOHMANN_JSON_NAMESPACE_BEGIN \ namespace nlohmann \ { \ inline namespace NLOHMANN_JSON_NAMESPACE_CONCAT( \ NLOHMANN_JSON_ABI_TAGS, \ NLOHMANN_JSON_NAMESPACE_VERSION) \ { #endif #ifndef NLOHMANN_JSON_NAMESPACE_END #define NLOHMANN_JSON_NAMESPACE_END \ } /* namespace (inline namespace) NOLINT(readability/namespace) */ \ } // namespace nlohmann #endif OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/conversions/000077500000000000000000000000001516317240700273105ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/conversions/from_json.hpp000066400000000000000000000447001516317240700320220ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // transform #include // array #include // forward_list #include // inserter, front_inserter, end #include // map #include // string #include // tuple, make_tuple #include // is_arithmetic, is_same, is_enum, underlying_type, is_convertible #include // unordered_map #include // pair, declval #include // valarray #include #include #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { template inline void from_json(const BasicJsonType& j, typename std::nullptr_t& n) { if (JSON_HEDLEY_UNLIKELY(!j.is_null())) { JSON_THROW(type_error::create(302, concat("type must be null, but is ", j.type_name()), &j)); } n = nullptr; } // overloads for basic_json template parameters template < typename BasicJsonType, typename ArithmeticType, enable_if_t < std::is_arithmetic::value&& !std::is_same::value, int > = 0 > void get_arithmetic_value(const BasicJsonType& j, ArithmeticType& val) { switch (static_cast(j)) { case value_t::number_unsigned: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_integer: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_float: { val = static_cast(*j.template get_ptr()); break; } case value_t::null: case value_t::object: case value_t::array: case value_t::string: case value_t::boolean: case value_t::binary: case value_t::discarded: default: JSON_THROW(type_error::create(302, concat("type must be number, but is ", j.type_name()), &j)); } } template inline void from_json(const BasicJsonType& j, typename BasicJsonType::boolean_t& b) { if (JSON_HEDLEY_UNLIKELY(!j.is_boolean())) { JSON_THROW(type_error::create(302, concat("type must be boolean, but is ", j.type_name()), &j)); } b = *j.template get_ptr(); } template inline void from_json(const BasicJsonType& j, typename BasicJsonType::string_t& s) { if (JSON_HEDLEY_UNLIKELY(!j.is_string())) { JSON_THROW(type_error::create(302, concat("type must be string, but is ", j.type_name()), &j)); } s = *j.template get_ptr(); } template < typename BasicJsonType, typename StringType, enable_if_t < std::is_assignable::value && is_detected_exact::value && !std::is_same::value && !is_json_ref::value, int > = 0 > inline void from_json(const BasicJsonType& j, StringType& s) { if (JSON_HEDLEY_UNLIKELY(!j.is_string())) { JSON_THROW(type_error::create(302, concat("type must be string, but is ", j.type_name()), &j)); } s = *j.template get_ptr(); } template inline void from_json(const BasicJsonType& j, typename BasicJsonType::number_float_t& val) { get_arithmetic_value(j, val); } template inline void from_json(const BasicJsonType& j, typename BasicJsonType::number_unsigned_t& val) { get_arithmetic_value(j, val); } template inline void from_json(const BasicJsonType& j, typename BasicJsonType::number_integer_t& val) { get_arithmetic_value(j, val); } #if !JSON_DISABLE_ENUM_SERIALIZATION template::value, int> = 0> inline void from_json(const BasicJsonType& j, EnumType& e) { typename std::underlying_type::type val; get_arithmetic_value(j, val); e = static_cast(val); } #endif // JSON_DISABLE_ENUM_SERIALIZATION // forward_list doesn't have an insert method template::value, int> = 0> inline void from_json(const BasicJsonType& j, std::forward_list& l) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } l.clear(); std::transform(j.rbegin(), j.rend(), std::front_inserter(l), [](const BasicJsonType & i) { return i.template get(); }); } // valarray doesn't have an insert method template::value, int> = 0> inline void from_json(const BasicJsonType& j, std::valarray& l) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } l.resize(j.size()); std::transform(j.begin(), j.end(), std::begin(l), [](const BasicJsonType & elem) { return elem.template get(); }); } template auto from_json(const BasicJsonType& j, T (&arr)[N]) // NOLINT(cppcoreguidelines-avoid-c-arrays,hicpp-avoid-c-arrays,modernize-avoid-c-arrays) -> decltype(j.template get(), void()) { for (std::size_t i = 0; i < N; ++i) { arr[i] = j.at(i).template get(); } } template inline void from_json_array_impl(const BasicJsonType& j, typename BasicJsonType::array_t& arr, priority_tag<3> /*unused*/) { arr = *j.template get_ptr(); } template auto from_json_array_impl(const BasicJsonType& j, std::array& arr, priority_tag<2> /*unused*/) -> decltype(j.template get(), void()) { for (std::size_t i = 0; i < N; ++i) { arr[i] = j.at(i).template get(); } } template::value, int> = 0> auto from_json_array_impl(const BasicJsonType& j, ConstructibleArrayType& arr, priority_tag<1> /*unused*/) -> decltype( arr.reserve(std::declval()), j.template get(), void()) { using std::end; ConstructibleArrayType ret; ret.reserve(j.size()); std::transform(j.begin(), j.end(), std::inserter(ret, end(ret)), [](const BasicJsonType & i) { // get() returns *this, this won't call a from_json // method when value_type is BasicJsonType return i.template get(); }); arr = std::move(ret); } template::value, int> = 0> inline void from_json_array_impl(const BasicJsonType& j, ConstructibleArrayType& arr, priority_tag<0> /*unused*/) { using std::end; ConstructibleArrayType ret; std::transform( j.begin(), j.end(), std::inserter(ret, end(ret)), [](const BasicJsonType & i) { // get() returns *this, this won't call a from_json // method when value_type is BasicJsonType return i.template get(); }); arr = std::move(ret); } template < typename BasicJsonType, typename ConstructibleArrayType, enable_if_t < is_constructible_array_type::value&& !is_constructible_object_type::value&& !is_constructible_string_type::value&& !std::is_same::value&& !is_basic_json::value, int > = 0 > auto from_json(const BasicJsonType& j, ConstructibleArrayType& arr) -> decltype(from_json_array_impl(j, arr, priority_tag<3> {}), j.template get(), void()) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } from_json_array_impl(j, arr, priority_tag<3> {}); } template < typename BasicJsonType, typename T, std::size_t... Idx > std::array from_json_inplace_array_impl(BasicJsonType&& j, identity_tag> /*unused*/, index_sequence /*unused*/) { return { { std::forward(j).at(Idx).template get()... } }; } template < typename BasicJsonType, typename T, std::size_t N > auto from_json(BasicJsonType&& j, identity_tag> tag) -> decltype(from_json_inplace_array_impl(std::forward(j), tag, make_index_sequence {})) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } return from_json_inplace_array_impl(std::forward(j), tag, make_index_sequence {}); } template inline void from_json(const BasicJsonType& j, typename BasicJsonType::binary_t& bin) { if (JSON_HEDLEY_UNLIKELY(!j.is_binary())) { JSON_THROW(type_error::create(302, concat("type must be binary, but is ", j.type_name()), &j)); } bin = *j.template get_ptr(); } template::value, int> = 0> inline void from_json(const BasicJsonType& j, ConstructibleObjectType& obj) { if (JSON_HEDLEY_UNLIKELY(!j.is_object())) { JSON_THROW(type_error::create(302, concat("type must be object, but is ", j.type_name()), &j)); } ConstructibleObjectType ret; const auto* inner_object = j.template get_ptr(); using value_type = typename ConstructibleObjectType::value_type; std::transform( inner_object->begin(), inner_object->end(), std::inserter(ret, ret.begin()), [](typename BasicJsonType::object_t::value_type const & p) { return value_type(p.first, p.second.template get()); }); obj = std::move(ret); } // overload for arithmetic types, not chosen for basic_json template arguments // (BooleanType, etc..); note: Is it really necessary to provide explicit // overloads for boolean_t etc. in case of a custom BooleanType which is not // an arithmetic type? template < typename BasicJsonType, typename ArithmeticType, enable_if_t < std::is_arithmetic::value&& !std::is_same::value&& !std::is_same::value&& !std::is_same::value&& !std::is_same::value, int > = 0 > inline void from_json(const BasicJsonType& j, ArithmeticType& val) { switch (static_cast(j)) { case value_t::number_unsigned: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_integer: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_float: { val = static_cast(*j.template get_ptr()); break; } case value_t::boolean: { val = static_cast(*j.template get_ptr()); break; } case value_t::null: case value_t::object: case value_t::array: case value_t::string: case value_t::binary: case value_t::discarded: default: JSON_THROW(type_error::create(302, concat("type must be number, but is ", j.type_name()), &j)); } } template std::tuple from_json_tuple_impl_base(BasicJsonType&& j, index_sequence /*unused*/) { return std::make_tuple(std::forward(j).at(Idx).template get()...); } template < typename BasicJsonType, class A1, class A2 > std::pair from_json_tuple_impl(BasicJsonType&& j, identity_tag> /*unused*/, priority_tag<0> /*unused*/) { return {std::forward(j).at(0).template get(), std::forward(j).at(1).template get()}; } template inline void from_json_tuple_impl(BasicJsonType&& j, std::pair& p, priority_tag<1> /*unused*/) { p = from_json_tuple_impl(std::forward(j), identity_tag> {}, priority_tag<0> {}); } template std::tuple from_json_tuple_impl(BasicJsonType&& j, identity_tag> /*unused*/, priority_tag<2> /*unused*/) { return from_json_tuple_impl_base(std::forward(j), index_sequence_for {}); } template inline void from_json_tuple_impl(BasicJsonType&& j, std::tuple& t, priority_tag<3> /*unused*/) { t = from_json_tuple_impl_base(std::forward(j), index_sequence_for {}); } template auto from_json(BasicJsonType&& j, TupleRelated&& t) -> decltype(from_json_tuple_impl(std::forward(j), std::forward(t), priority_tag<3> {})) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } return from_json_tuple_impl(std::forward(j), std::forward(t), priority_tag<3> {}); } template < typename BasicJsonType, typename Key, typename Value, typename Compare, typename Allocator, typename = enable_if_t < !std::is_constructible < typename BasicJsonType::string_t, Key >::value >> inline void from_json(const BasicJsonType& j, std::map& m) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } m.clear(); for (const auto& p : j) { if (JSON_HEDLEY_UNLIKELY(!p.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", p.type_name()), &j)); } m.emplace(p.at(0).template get(), p.at(1).template get()); } } template < typename BasicJsonType, typename Key, typename Value, typename Hash, typename KeyEqual, typename Allocator, typename = enable_if_t < !std::is_constructible < typename BasicJsonType::string_t, Key >::value >> inline void from_json(const BasicJsonType& j, std::unordered_map& m) { if (JSON_HEDLEY_UNLIKELY(!j.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", j.type_name()), &j)); } m.clear(); for (const auto& p : j) { if (JSON_HEDLEY_UNLIKELY(!p.is_array())) { JSON_THROW(type_error::create(302, concat("type must be array, but is ", p.type_name()), &j)); } m.emplace(p.at(0).template get(), p.at(1).template get()); } } #if JSON_HAS_FILESYSTEM || JSON_HAS_EXPERIMENTAL_FILESYSTEM template inline void from_json(const BasicJsonType& j, std_fs::path& p) { if (JSON_HEDLEY_UNLIKELY(!j.is_string())) { JSON_THROW(type_error::create(302, concat("type must be string, but is ", j.type_name()), &j)); } p = *j.template get_ptr(); } #endif struct from_json_fn { template auto operator()(const BasicJsonType& j, T&& val) const noexcept(noexcept(from_json(j, std::forward(val)))) -> decltype(from_json(j, std::forward(val))) { return from_json(j, std::forward(val)); } }; } // namespace detail #ifndef JSON_HAS_CPP_17 /// namespace to hold default `from_json` function /// to see why this is required: /// http://www.open-std.org/jtc1/sc22/wg21/docs/papers/2015/n4381.html namespace // NOLINT(cert-dcl59-cpp,fuchsia-header-anon-namespaces,google-build-namespaces) { #endif JSON_INLINE_VARIABLE constexpr const auto& from_json = // NOLINT(misc-definitions-in-headers) detail::static_const::value; #ifndef JSON_HAS_CPP_17 } // namespace #endif NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/conversions/to_chars.hpp000066400000000000000000001132421516317240700316260ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2009 Florian Loitsch // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // array #include // signbit, isfinite #include // intN_t, uintN_t #include // memcpy, memmove #include // numeric_limits #include // conditional #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /*! @brief implements the Grisu2 algorithm for binary to decimal floating-point conversion. This implementation is a slightly modified version of the reference implementation which may be obtained from http://florian.loitsch.com/publications (bench.tar.gz). The code is distributed under the MIT license, Copyright (c) 2009 Florian Loitsch. For a detailed description of the algorithm see: [1] Loitsch, "Printing Floating-Point Numbers Quickly and Accurately with Integers", Proceedings of the ACM SIGPLAN 2010 Conference on Programming Language Design and Implementation, PLDI 2010 [2] Burger, Dybvig, "Printing Floating-Point Numbers Quickly and Accurately", Proceedings of the ACM SIGPLAN 1996 Conference on Programming Language Design and Implementation, PLDI 1996 */ namespace dtoa_impl { template Target reinterpret_bits(const Source source) { static_assert(sizeof(Target) == sizeof(Source), "size mismatch"); Target target; std::memcpy(&target, &source, sizeof(Source)); return target; } struct diyfp // f * 2^e { static constexpr int kPrecision = 64; // = q std::uint64_t f = 0; int e = 0; constexpr diyfp(std::uint64_t f_, int e_) noexcept : f(f_), e(e_) {} /*! @brief returns x - y @pre x.e == y.e and x.f >= y.f */ static diyfp sub(const diyfp& x, const diyfp& y) noexcept { JSON_ASSERT(x.e == y.e); JSON_ASSERT(x.f >= y.f); return {x.f - y.f, x.e}; } /*! @brief returns x * y @note The result is rounded. (Only the upper q bits are returned.) */ static diyfp mul(const diyfp& x, const diyfp& y) noexcept { static_assert(kPrecision == 64, "internal error"); // Computes: // f = round((x.f * y.f) / 2^q) // e = x.e + y.e + q // Emulate the 64-bit * 64-bit multiplication: // // p = u * v // = (u_lo + 2^32 u_hi) (v_lo + 2^32 v_hi) // = (u_lo v_lo ) + 2^32 ((u_lo v_hi ) + (u_hi v_lo )) + 2^64 (u_hi v_hi ) // = (p0 ) + 2^32 ((p1 ) + (p2 )) + 2^64 (p3 ) // = (p0_lo + 2^32 p0_hi) + 2^32 ((p1_lo + 2^32 p1_hi) + (p2_lo + 2^32 p2_hi)) + 2^64 (p3 ) // = (p0_lo ) + 2^32 (p0_hi + p1_lo + p2_lo ) + 2^64 (p1_hi + p2_hi + p3) // = (p0_lo ) + 2^32 (Q ) + 2^64 (H ) // = (p0_lo ) + 2^32 (Q_lo + 2^32 Q_hi ) + 2^64 (H ) // // (Since Q might be larger than 2^32 - 1) // // = (p0_lo + 2^32 Q_lo) + 2^64 (Q_hi + H) // // (Q_hi + H does not overflow a 64-bit int) // // = p_lo + 2^64 p_hi const std::uint64_t u_lo = x.f & 0xFFFFFFFFu; const std::uint64_t u_hi = x.f >> 32u; const std::uint64_t v_lo = y.f & 0xFFFFFFFFu; const std::uint64_t v_hi = y.f >> 32u; const std::uint64_t p0 = u_lo * v_lo; const std::uint64_t p1 = u_lo * v_hi; const std::uint64_t p2 = u_hi * v_lo; const std::uint64_t p3 = u_hi * v_hi; const std::uint64_t p0_hi = p0 >> 32u; const std::uint64_t p1_lo = p1 & 0xFFFFFFFFu; const std::uint64_t p1_hi = p1 >> 32u; const std::uint64_t p2_lo = p2 & 0xFFFFFFFFu; const std::uint64_t p2_hi = p2 >> 32u; std::uint64_t Q = p0_hi + p1_lo + p2_lo; // The full product might now be computed as // // p_hi = p3 + p2_hi + p1_hi + (Q >> 32) // p_lo = p0_lo + (Q << 32) // // But in this particular case here, the full p_lo is not required. // Effectively we only need to add the highest bit in p_lo to p_hi (and // Q_hi + 1 does not overflow). Q += std::uint64_t{1} << (64u - 32u - 1u); // round, ties up const std::uint64_t h = p3 + p2_hi + p1_hi + (Q >> 32u); return {h, x.e + y.e + 64}; } /*! @brief normalize x such that the significand is >= 2^(q-1) @pre x.f != 0 */ static diyfp normalize(diyfp x) noexcept { JSON_ASSERT(x.f != 0); while ((x.f >> 63u) == 0) { x.f <<= 1u; x.e--; } return x; } /*! @brief normalize x such that the result has the exponent E @pre e >= x.e and the upper e - x.e bits of x.f must be zero. */ static diyfp normalize_to(const diyfp& x, const int target_exponent) noexcept { const int delta = x.e - target_exponent; JSON_ASSERT(delta >= 0); JSON_ASSERT(((x.f << delta) >> delta) == x.f); return {x.f << delta, target_exponent}; } }; struct boundaries { diyfp w; diyfp minus; diyfp plus; }; /*! Compute the (normalized) diyfp representing the input number 'value' and its boundaries. @pre value must be finite and positive */ template boundaries compute_boundaries(FloatType value) { JSON_ASSERT(std::isfinite(value)); JSON_ASSERT(value > 0); // Convert the IEEE representation into a diyfp. // // If v is denormal: // value = 0.F * 2^(1 - bias) = ( F) * 2^(1 - bias - (p-1)) // If v is normalized: // value = 1.F * 2^(E - bias) = (2^(p-1) + F) * 2^(E - bias - (p-1)) static_assert(std::numeric_limits::is_iec559, "internal error: dtoa_short requires an IEEE-754 floating-point implementation"); constexpr int kPrecision = std::numeric_limits::digits; // = p (includes the hidden bit) constexpr int kBias = std::numeric_limits::max_exponent - 1 + (kPrecision - 1); constexpr int kMinExp = 1 - kBias; constexpr std::uint64_t kHiddenBit = std::uint64_t{1} << (kPrecision - 1); // = 2^(p-1) using bits_type = typename std::conditional::type; const auto bits = static_cast(reinterpret_bits(value)); const std::uint64_t E = bits >> (kPrecision - 1); const std::uint64_t F = bits & (kHiddenBit - 1); const bool is_denormal = E == 0; const diyfp v = is_denormal ? diyfp(F, kMinExp) : diyfp(F + kHiddenBit, static_cast(E) - kBias); // Compute the boundaries m- and m+ of the floating-point value // v = f * 2^e. // // Determine v- and v+, the floating-point predecessor and successor if v, // respectively. // // v- = v - 2^e if f != 2^(p-1) or e == e_min (A) // = v - 2^(e-1) if f == 2^(p-1) and e > e_min (B) // // v+ = v + 2^e // // Let m- = (v- + v) / 2 and m+ = (v + v+) / 2. All real numbers _strictly_ // between m- and m+ round to v, regardless of how the input rounding // algorithm breaks ties. // // ---+-------------+-------------+-------------+-------------+--- (A) // v- m- v m+ v+ // // -----------------+------+------+-------------+-------------+--- (B) // v- m- v m+ v+ const bool lower_boundary_is_closer = F == 0 && E > 1; const diyfp m_plus = diyfp(2 * v.f + 1, v.e - 1); const diyfp m_minus = lower_boundary_is_closer ? diyfp(4 * v.f - 1, v.e - 2) // (B) : diyfp(2 * v.f - 1, v.e - 1); // (A) // Determine the normalized w+ = m+. const diyfp w_plus = diyfp::normalize(m_plus); // Determine w- = m- such that e_(w-) = e_(w+). const diyfp w_minus = diyfp::normalize_to(m_minus, w_plus.e); return {diyfp::normalize(v), w_minus, w_plus}; } // Given normalized diyfp w, Grisu needs to find a (normalized) cached // power-of-ten c, such that the exponent of the product c * w = f * 2^e lies // within a certain range [alpha, gamma] (Definition 3.2 from [1]) // // alpha <= e = e_c + e_w + q <= gamma // // or // // f_c * f_w * 2^alpha <= f_c 2^(e_c) * f_w 2^(e_w) * 2^q // <= f_c * f_w * 2^gamma // // Since c and w are normalized, i.e. 2^(q-1) <= f < 2^q, this implies // // 2^(q-1) * 2^(q-1) * 2^alpha <= c * w * 2^q < 2^q * 2^q * 2^gamma // // or // // 2^(q - 2 + alpha) <= c * w < 2^(q + gamma) // // The choice of (alpha,gamma) determines the size of the table and the form of // the digit generation procedure. Using (alpha,gamma)=(-60,-32) works out well // in practice: // // The idea is to cut the number c * w = f * 2^e into two parts, which can be // processed independently: An integral part p1, and a fractional part p2: // // f * 2^e = ( (f div 2^-e) * 2^-e + (f mod 2^-e) ) * 2^e // = (f div 2^-e) + (f mod 2^-e) * 2^e // = p1 + p2 * 2^e // // The conversion of p1 into decimal form requires a series of divisions and // modulos by (a power of) 10. These operations are faster for 32-bit than for // 64-bit integers, so p1 should ideally fit into a 32-bit integer. This can be // achieved by choosing // // -e >= 32 or e <= -32 := gamma // // In order to convert the fractional part // // p2 * 2^e = p2 / 2^-e = d[-1] / 10^1 + d[-2] / 10^2 + ... // // into decimal form, the fraction is repeatedly multiplied by 10 and the digits // d[-i] are extracted in order: // // (10 * p2) div 2^-e = d[-1] // (10 * p2) mod 2^-e = d[-2] / 10^1 + ... // // The multiplication by 10 must not overflow. It is sufficient to choose // // 10 * p2 < 16 * p2 = 2^4 * p2 <= 2^64. // // Since p2 = f mod 2^-e < 2^-e, // // -e <= 60 or e >= -60 := alpha constexpr int kAlpha = -60; constexpr int kGamma = -32; struct cached_power // c = f * 2^e ~= 10^k { std::uint64_t f; int e; int k; }; /*! For a normalized diyfp w = f * 2^e, this function returns a (normalized) cached power-of-ten c = f_c * 2^e_c, such that the exponent of the product w * c satisfies (Definition 3.2 from [1]) alpha <= e_c + e + q <= gamma. */ inline cached_power get_cached_power_for_binary_exponent(int e) { // Now // // alpha <= e_c + e + q <= gamma (1) // ==> f_c * 2^alpha <= c * 2^e * 2^q // // and since the c's are normalized, 2^(q-1) <= f_c, // // ==> 2^(q - 1 + alpha) <= c * 2^(e + q) // ==> 2^(alpha - e - 1) <= c // // If c were an exact power of ten, i.e. c = 10^k, one may determine k as // // k = ceil( log_10( 2^(alpha - e - 1) ) ) // = ceil( (alpha - e - 1) * log_10(2) ) // // From the paper: // "In theory the result of the procedure could be wrong since c is rounded, // and the computation itself is approximated [...]. In practice, however, // this simple function is sufficient." // // For IEEE double precision floating-point numbers converted into // normalized diyfp's w = f * 2^e, with q = 64, // // e >= -1022 (min IEEE exponent) // -52 (p - 1) // -52 (p - 1, possibly normalize denormal IEEE numbers) // -11 (normalize the diyfp) // = -1137 // // and // // e <= +1023 (max IEEE exponent) // -52 (p - 1) // -11 (normalize the diyfp) // = 960 // // This binary exponent range [-1137,960] results in a decimal exponent // range [-307,324]. One does not need to store a cached power for each // k in this range. For each such k it suffices to find a cached power // such that the exponent of the product lies in [alpha,gamma]. // This implies that the difference of the decimal exponents of adjacent // table entries must be less than or equal to // // floor( (gamma - alpha) * log_10(2) ) = 8. // // (A smaller distance gamma-alpha would require a larger table.) // NB: // Actually this function returns c, such that -60 <= e_c + e + 64 <= -34. constexpr int kCachedPowersMinDecExp = -300; constexpr int kCachedPowersDecStep = 8; static constexpr std::array kCachedPowers = { { { 0xAB70FE17C79AC6CA, -1060, -300 }, { 0xFF77B1FCBEBCDC4F, -1034, -292 }, { 0xBE5691EF416BD60C, -1007, -284 }, { 0x8DD01FAD907FFC3C, -980, -276 }, { 0xD3515C2831559A83, -954, -268 }, { 0x9D71AC8FADA6C9B5, -927, -260 }, { 0xEA9C227723EE8BCB, -901, -252 }, { 0xAECC49914078536D, -874, -244 }, { 0x823C12795DB6CE57, -847, -236 }, { 0xC21094364DFB5637, -821, -228 }, { 0x9096EA6F3848984F, -794, -220 }, { 0xD77485CB25823AC7, -768, -212 }, { 0xA086CFCD97BF97F4, -741, -204 }, { 0xEF340A98172AACE5, -715, -196 }, { 0xB23867FB2A35B28E, -688, -188 }, { 0x84C8D4DFD2C63F3B, -661, -180 }, { 0xC5DD44271AD3CDBA, -635, -172 }, { 0x936B9FCEBB25C996, -608, -164 }, { 0xDBAC6C247D62A584, -582, -156 }, { 0xA3AB66580D5FDAF6, -555, -148 }, { 0xF3E2F893DEC3F126, -529, -140 }, { 0xB5B5ADA8AAFF80B8, -502, -132 }, { 0x87625F056C7C4A8B, -475, -124 }, { 0xC9BCFF6034C13053, -449, -116 }, { 0x964E858C91BA2655, -422, -108 }, { 0xDFF9772470297EBD, -396, -100 }, { 0xA6DFBD9FB8E5B88F, -369, -92 }, { 0xF8A95FCF88747D94, -343, -84 }, { 0xB94470938FA89BCF, -316, -76 }, { 0x8A08F0F8BF0F156B, -289, -68 }, { 0xCDB02555653131B6, -263, -60 }, { 0x993FE2C6D07B7FAC, -236, -52 }, { 0xE45C10C42A2B3B06, -210, -44 }, { 0xAA242499697392D3, -183, -36 }, { 0xFD87B5F28300CA0E, -157, -28 }, { 0xBCE5086492111AEB, -130, -20 }, { 0x8CBCCC096F5088CC, -103, -12 }, { 0xD1B71758E219652C, -77, -4 }, { 0x9C40000000000000, -50, 4 }, { 0xE8D4A51000000000, -24, 12 }, { 0xAD78EBC5AC620000, 3, 20 }, { 0x813F3978F8940984, 30, 28 }, { 0xC097CE7BC90715B3, 56, 36 }, { 0x8F7E32CE7BEA5C70, 83, 44 }, { 0xD5D238A4ABE98068, 109, 52 }, { 0x9F4F2726179A2245, 136, 60 }, { 0xED63A231D4C4FB27, 162, 68 }, { 0xB0DE65388CC8ADA8, 189, 76 }, { 0x83C7088E1AAB65DB, 216, 84 }, { 0xC45D1DF942711D9A, 242, 92 }, { 0x924D692CA61BE758, 269, 100 }, { 0xDA01EE641A708DEA, 295, 108 }, { 0xA26DA3999AEF774A, 322, 116 }, { 0xF209787BB47D6B85, 348, 124 }, { 0xB454E4A179DD1877, 375, 132 }, { 0x865B86925B9BC5C2, 402, 140 }, { 0xC83553C5C8965D3D, 428, 148 }, { 0x952AB45CFA97A0B3, 455, 156 }, { 0xDE469FBD99A05FE3, 481, 164 }, { 0xA59BC234DB398C25, 508, 172 }, { 0xF6C69A72A3989F5C, 534, 180 }, { 0xB7DCBF5354E9BECE, 561, 188 }, { 0x88FCF317F22241E2, 588, 196 }, { 0xCC20CE9BD35C78A5, 614, 204 }, { 0x98165AF37B2153DF, 641, 212 }, { 0xE2A0B5DC971F303A, 667, 220 }, { 0xA8D9D1535CE3B396, 694, 228 }, { 0xFB9B7CD9A4A7443C, 720, 236 }, { 0xBB764C4CA7A44410, 747, 244 }, { 0x8BAB8EEFB6409C1A, 774, 252 }, { 0xD01FEF10A657842C, 800, 260 }, { 0x9B10A4E5E9913129, 827, 268 }, { 0xE7109BFBA19C0C9D, 853, 276 }, { 0xAC2820D9623BF429, 880, 284 }, { 0x80444B5E7AA7CF85, 907, 292 }, { 0xBF21E44003ACDD2D, 933, 300 }, { 0x8E679C2F5E44FF8F, 960, 308 }, { 0xD433179D9C8CB841, 986, 316 }, { 0x9E19DB92B4E31BA9, 1013, 324 }, } }; // This computation gives exactly the same results for k as // k = ceil((kAlpha - e - 1) * 0.30102999566398114) // for |e| <= 1500, but doesn't require floating-point operations. // NB: log_10(2) ~= 78913 / 2^18 JSON_ASSERT(e >= -1500); JSON_ASSERT(e <= 1500); const int f = kAlpha - e - 1; const int k = (f * 78913) / (1 << 18) + static_cast(f > 0); const int index = (-kCachedPowersMinDecExp + k + (kCachedPowersDecStep - 1)) / kCachedPowersDecStep; JSON_ASSERT(index >= 0); JSON_ASSERT(static_cast(index) < kCachedPowers.size()); const cached_power cached = kCachedPowers[static_cast(index)]; JSON_ASSERT(kAlpha <= cached.e + e + 64); JSON_ASSERT(kGamma >= cached.e + e + 64); return cached; } /*! For n != 0, returns k, such that pow10 := 10^(k-1) <= n < 10^k. For n == 0, returns 1 and sets pow10 := 1. */ inline int find_largest_pow10(const std::uint32_t n, std::uint32_t& pow10) { // LCOV_EXCL_START if (n >= 1000000000) { pow10 = 1000000000; return 10; } // LCOV_EXCL_STOP if (n >= 100000000) { pow10 = 100000000; return 9; } if (n >= 10000000) { pow10 = 10000000; return 8; } if (n >= 1000000) { pow10 = 1000000; return 7; } if (n >= 100000) { pow10 = 100000; return 6; } if (n >= 10000) { pow10 = 10000; return 5; } if (n >= 1000) { pow10 = 1000; return 4; } if (n >= 100) { pow10 = 100; return 3; } if (n >= 10) { pow10 = 10; return 2; } pow10 = 1; return 1; } inline void grisu2_round(char* buf, int len, std::uint64_t dist, std::uint64_t delta, std::uint64_t rest, std::uint64_t ten_k) { JSON_ASSERT(len >= 1); JSON_ASSERT(dist <= delta); JSON_ASSERT(rest <= delta); JSON_ASSERT(ten_k > 0); // <--------------------------- delta ----> // <---- dist ---------> // --------------[------------------+-------------------]-------------- // M- w M+ // // ten_k // <------> // <---- rest ----> // --------------[------------------+----+--------------]-------------- // w V // = buf * 10^k // // ten_k represents a unit-in-the-last-place in the decimal representation // stored in buf. // Decrement buf by ten_k while this takes buf closer to w. // The tests are written in this order to avoid overflow in unsigned // integer arithmetic. while (rest < dist && delta - rest >= ten_k && (rest + ten_k < dist || dist - rest > rest + ten_k - dist)) { JSON_ASSERT(buf[len - 1] != '0'); buf[len - 1]--; rest += ten_k; } } /*! Generates V = buffer * 10^decimal_exponent, such that M- <= V <= M+. M- and M+ must be normalized and share the same exponent -60 <= e <= -32. */ inline void grisu2_digit_gen(char* buffer, int& length, int& decimal_exponent, diyfp M_minus, diyfp w, diyfp M_plus) { static_assert(kAlpha >= -60, "internal error"); static_assert(kGamma <= -32, "internal error"); // Generates the digits (and the exponent) of a decimal floating-point // number V = buffer * 10^decimal_exponent in the range [M-, M+]. The diyfp's // w, M- and M+ share the same exponent e, which satisfies alpha <= e <= gamma. // // <--------------------------- delta ----> // <---- dist ---------> // --------------[------------------+-------------------]-------------- // M- w M+ // // Grisu2 generates the digits of M+ from left to right and stops as soon as // V is in [M-,M+]. JSON_ASSERT(M_plus.e >= kAlpha); JSON_ASSERT(M_plus.e <= kGamma); std::uint64_t delta = diyfp::sub(M_plus, M_minus).f; // (significand of (M+ - M-), implicit exponent is e) std::uint64_t dist = diyfp::sub(M_plus, w ).f; // (significand of (M+ - w ), implicit exponent is e) // Split M+ = f * 2^e into two parts p1 and p2 (note: e < 0): // // M+ = f * 2^e // = ((f div 2^-e) * 2^-e + (f mod 2^-e)) * 2^e // = ((p1 ) * 2^-e + (p2 )) * 2^e // = p1 + p2 * 2^e const diyfp one(std::uint64_t{1} << -M_plus.e, M_plus.e); auto p1 = static_cast(M_plus.f >> -one.e); // p1 = f div 2^-e (Since -e >= 32, p1 fits into a 32-bit int.) std::uint64_t p2 = M_plus.f & (one.f - 1); // p2 = f mod 2^-e // 1) // // Generate the digits of the integral part p1 = d[n-1]...d[1]d[0] JSON_ASSERT(p1 > 0); std::uint32_t pow10{}; const int k = find_largest_pow10(p1, pow10); // 10^(k-1) <= p1 < 10^k, pow10 = 10^(k-1) // // p1 = (p1 div 10^(k-1)) * 10^(k-1) + (p1 mod 10^(k-1)) // = (d[k-1] ) * 10^(k-1) + (p1 mod 10^(k-1)) // // M+ = p1 + p2 * 2^e // = d[k-1] * 10^(k-1) + (p1 mod 10^(k-1)) + p2 * 2^e // = d[k-1] * 10^(k-1) + ((p1 mod 10^(k-1)) * 2^-e + p2) * 2^e // = d[k-1] * 10^(k-1) + ( rest) * 2^e // // Now generate the digits d[n] of p1 from left to right (n = k-1,...,0) // // p1 = d[k-1]...d[n] * 10^n + d[n-1]...d[0] // // but stop as soon as // // rest * 2^e = (d[n-1]...d[0] * 2^-e + p2) * 2^e <= delta * 2^e int n = k; while (n > 0) { // Invariants: // M+ = buffer * 10^n + (p1 + p2 * 2^e) (buffer = 0 for n = k) // pow10 = 10^(n-1) <= p1 < 10^n // const std::uint32_t d = p1 / pow10; // d = p1 div 10^(n-1) const std::uint32_t r = p1 % pow10; // r = p1 mod 10^(n-1) // // M+ = buffer * 10^n + (d * 10^(n-1) + r) + p2 * 2^e // = (buffer * 10 + d) * 10^(n-1) + (r + p2 * 2^e) // JSON_ASSERT(d <= 9); buffer[length++] = static_cast('0' + d); // buffer := buffer * 10 + d // // M+ = buffer * 10^(n-1) + (r + p2 * 2^e) // p1 = r; n--; // // M+ = buffer * 10^n + (p1 + p2 * 2^e) // pow10 = 10^n // // Now check if enough digits have been generated. // Compute // // p1 + p2 * 2^e = (p1 * 2^-e + p2) * 2^e = rest * 2^e // // Note: // Since rest and delta share the same exponent e, it suffices to // compare the significands. const std::uint64_t rest = (std::uint64_t{p1} << -one.e) + p2; if (rest <= delta) { // V = buffer * 10^n, with M- <= V <= M+. decimal_exponent += n; // We may now just stop. But instead look if the buffer could be // decremented to bring V closer to w. // // pow10 = 10^n is now 1 ulp in the decimal representation V. // The rounding procedure works with diyfp's with an implicit // exponent of e. // // 10^n = (10^n * 2^-e) * 2^e = ulp * 2^e // const std::uint64_t ten_n = std::uint64_t{pow10} << -one.e; grisu2_round(buffer, length, dist, delta, rest, ten_n); return; } pow10 /= 10; // // pow10 = 10^(n-1) <= p1 < 10^n // Invariants restored. } // 2) // // The digits of the integral part have been generated: // // M+ = d[k-1]...d[1]d[0] + p2 * 2^e // = buffer + p2 * 2^e // // Now generate the digits of the fractional part p2 * 2^e. // // Note: // No decimal point is generated: the exponent is adjusted instead. // // p2 actually represents the fraction // // p2 * 2^e // = p2 / 2^-e // = d[-1] / 10^1 + d[-2] / 10^2 + ... // // Now generate the digits d[-m] of p1 from left to right (m = 1,2,...) // // p2 * 2^e = d[-1]d[-2]...d[-m] * 10^-m // + 10^-m * (d[-m-1] / 10^1 + d[-m-2] / 10^2 + ...) // // using // // 10^m * p2 = ((10^m * p2) div 2^-e) * 2^-e + ((10^m * p2) mod 2^-e) // = ( d) * 2^-e + ( r) // // or // 10^m * p2 * 2^e = d + r * 2^e // // i.e. // // M+ = buffer + p2 * 2^e // = buffer + 10^-m * (d + r * 2^e) // = (buffer * 10^m + d) * 10^-m + 10^-m * r * 2^e // // and stop as soon as 10^-m * r * 2^e <= delta * 2^e JSON_ASSERT(p2 > delta); int m = 0; for (;;) { // Invariant: // M+ = buffer * 10^-m + 10^-m * (d[-m-1] / 10 + d[-m-2] / 10^2 + ...) * 2^e // = buffer * 10^-m + 10^-m * (p2 ) * 2^e // = buffer * 10^-m + 10^-m * (1/10 * (10 * p2) ) * 2^e // = buffer * 10^-m + 10^-m * (1/10 * ((10*p2 div 2^-e) * 2^-e + (10*p2 mod 2^-e)) * 2^e // JSON_ASSERT(p2 <= (std::numeric_limits::max)() / 10); p2 *= 10; const std::uint64_t d = p2 >> -one.e; // d = (10 * p2) div 2^-e const std::uint64_t r = p2 & (one.f - 1); // r = (10 * p2) mod 2^-e // // M+ = buffer * 10^-m + 10^-m * (1/10 * (d * 2^-e + r) * 2^e // = buffer * 10^-m + 10^-m * (1/10 * (d + r * 2^e)) // = (buffer * 10 + d) * 10^(-m-1) + 10^(-m-1) * r * 2^e // JSON_ASSERT(d <= 9); buffer[length++] = static_cast('0' + d); // buffer := buffer * 10 + d // // M+ = buffer * 10^(-m-1) + 10^(-m-1) * r * 2^e // p2 = r; m++; // // M+ = buffer * 10^-m + 10^-m * p2 * 2^e // Invariant restored. // Check if enough digits have been generated. // // 10^-m * p2 * 2^e <= delta * 2^e // p2 * 2^e <= 10^m * delta * 2^e // p2 <= 10^m * delta delta *= 10; dist *= 10; if (p2 <= delta) { break; } } // V = buffer * 10^-m, with M- <= V <= M+. decimal_exponent -= m; // 1 ulp in the decimal representation is now 10^-m. // Since delta and dist are now scaled by 10^m, we need to do the // same with ulp in order to keep the units in sync. // // 10^m * 10^-m = 1 = 2^-e * 2^e = ten_m * 2^e // const std::uint64_t ten_m = one.f; grisu2_round(buffer, length, dist, delta, p2, ten_m); // By construction this algorithm generates the shortest possible decimal // number (Loitsch, Theorem 6.2) which rounds back to w. // For an input number of precision p, at least // // N = 1 + ceil(p * log_10(2)) // // decimal digits are sufficient to identify all binary floating-point // numbers (Matula, "In-and-Out conversions"). // This implies that the algorithm does not produce more than N decimal // digits. // // N = 17 for p = 53 (IEEE double precision) // N = 9 for p = 24 (IEEE single precision) } /*! v = buf * 10^decimal_exponent len is the length of the buffer (number of decimal digits) The buffer must be large enough, i.e. >= max_digits10. */ JSON_HEDLEY_NON_NULL(1) inline void grisu2(char* buf, int& len, int& decimal_exponent, diyfp m_minus, diyfp v, diyfp m_plus) { JSON_ASSERT(m_plus.e == m_minus.e); JSON_ASSERT(m_plus.e == v.e); // --------(-----------------------+-----------------------)-------- (A) // m- v m+ // // --------------------(-----------+-----------------------)-------- (B) // m- v m+ // // First scale v (and m- and m+) such that the exponent is in the range // [alpha, gamma]. const cached_power cached = get_cached_power_for_binary_exponent(m_plus.e); const diyfp c_minus_k(cached.f, cached.e); // = c ~= 10^-k // The exponent of the products is = v.e + c_minus_k.e + q and is in the range [alpha,gamma] const diyfp w = diyfp::mul(v, c_minus_k); const diyfp w_minus = diyfp::mul(m_minus, c_minus_k); const diyfp w_plus = diyfp::mul(m_plus, c_minus_k); // ----(---+---)---------------(---+---)---------------(---+---)---- // w- w w+ // = c*m- = c*v = c*m+ // // diyfp::mul rounds its result and c_minus_k is approximated too. w, w- and // w+ are now off by a small amount. // In fact: // // w - v * 10^k < 1 ulp // // To account for this inaccuracy, add resp. subtract 1 ulp. // // --------+---[---------------(---+---)---------------]---+-------- // w- M- w M+ w+ // // Now any number in [M-, M+] (bounds included) will round to w when input, // regardless of how the input rounding algorithm breaks ties. // // And digit_gen generates the shortest possible such number in [M-, M+]. // Note that this does not mean that Grisu2 always generates the shortest // possible number in the interval (m-, m+). const diyfp M_minus(w_minus.f + 1, w_minus.e); const diyfp M_plus (w_plus.f - 1, w_plus.e ); decimal_exponent = -cached.k; // = -(-k) = k grisu2_digit_gen(buf, len, decimal_exponent, M_minus, w, M_plus); } /*! v = buf * 10^decimal_exponent len is the length of the buffer (number of decimal digits) The buffer must be large enough, i.e. >= max_digits10. */ template JSON_HEDLEY_NON_NULL(1) void grisu2(char* buf, int& len, int& decimal_exponent, FloatType value) { static_assert(diyfp::kPrecision >= std::numeric_limits::digits + 3, "internal error: not enough precision"); JSON_ASSERT(std::isfinite(value)); JSON_ASSERT(value > 0); // If the neighbors (and boundaries) of 'value' are always computed for double-precision // numbers, all float's can be recovered using strtod (and strtof). However, the resulting // decimal representations are not exactly "short". // // The documentation for 'std::to_chars' (https://en.cppreference.com/w/cpp/utility/to_chars) // says "value is converted to a string as if by std::sprintf in the default ("C") locale" // and since sprintf promotes floats to doubles, I think this is exactly what 'std::to_chars' // does. // On the other hand, the documentation for 'std::to_chars' requires that "parsing the // representation using the corresponding std::from_chars function recovers value exactly". That // indicates that single precision floating-point numbers should be recovered using // 'std::strtof'. // // NB: If the neighbors are computed for single-precision numbers, there is a single float // (7.0385307e-26f) which can't be recovered using strtod. The resulting double precision // value is off by 1 ulp. #if 0 // NOLINT(readability-avoid-unconditional-preprocessor-if) const boundaries w = compute_boundaries(static_cast(value)); #else const boundaries w = compute_boundaries(value); #endif grisu2(buf, len, decimal_exponent, w.minus, w.w, w.plus); } /*! @brief appends a decimal representation of e to buf @return a pointer to the element following the exponent. @pre -1000 < e < 1000 */ JSON_HEDLEY_NON_NULL(1) JSON_HEDLEY_RETURNS_NON_NULL inline char* append_exponent(char* buf, int e) { JSON_ASSERT(e > -1000); JSON_ASSERT(e < 1000); if (e < 0) { e = -e; *buf++ = '-'; } else { *buf++ = '+'; } auto k = static_cast(e); if (k < 10) { // Always print at least two digits in the exponent. // This is for compatibility with printf("%g"). *buf++ = '0'; *buf++ = static_cast('0' + k); } else if (k < 100) { *buf++ = static_cast('0' + k / 10); k %= 10; *buf++ = static_cast('0' + k); } else { *buf++ = static_cast('0' + k / 100); k %= 100; *buf++ = static_cast('0' + k / 10); k %= 10; *buf++ = static_cast('0' + k); } return buf; } /*! @brief prettify v = buf * 10^decimal_exponent If v is in the range [10^min_exp, 10^max_exp) it will be printed in fixed-point notation. Otherwise it will be printed in exponential notation. @pre min_exp < 0 @pre max_exp > 0 */ JSON_HEDLEY_NON_NULL(1) JSON_HEDLEY_RETURNS_NON_NULL inline char* format_buffer(char* buf, int len, int decimal_exponent, int min_exp, int max_exp) { JSON_ASSERT(min_exp < 0); JSON_ASSERT(max_exp > 0); const int k = len; const int n = len + decimal_exponent; // v = buf * 10^(n-k) // k is the length of the buffer (number of decimal digits) // n is the position of the decimal point relative to the start of the buffer. if (k <= n && n <= max_exp) { // digits[000] // len <= max_exp + 2 std::memset(buf + k, '0', static_cast(n) - static_cast(k)); // Make it look like a floating-point number (#362, #378) buf[n + 0] = '.'; buf[n + 1] = '0'; return buf + (static_cast(n) + 2); } if (0 < n && n <= max_exp) { // dig.its // len <= max_digits10 + 1 JSON_ASSERT(k > n); std::memmove(buf + (static_cast(n) + 1), buf + n, static_cast(k) - static_cast(n)); buf[n] = '.'; return buf + (static_cast(k) + 1U); } if (min_exp < n && n <= 0) { // 0.[000]digits // len <= 2 + (-min_exp - 1) + max_digits10 std::memmove(buf + (2 + static_cast(-n)), buf, static_cast(k)); buf[0] = '0'; buf[1] = '.'; std::memset(buf + 2, '0', static_cast(-n)); return buf + (2U + static_cast(-n) + static_cast(k)); } if (k == 1) { // dE+123 // len <= 1 + 5 buf += 1; } else { // d.igitsE+123 // len <= max_digits10 + 1 + 5 std::memmove(buf + 2, buf + 1, static_cast(k) - 1); buf[1] = '.'; buf += 1 + static_cast(k); } *buf++ = 'e'; return append_exponent(buf, n - 1); } } // namespace dtoa_impl /*! @brief generates a decimal representation of the floating-point number value in [first, last). The format of the resulting decimal representation is similar to printf's %g format. Returns an iterator pointing past-the-end of the decimal representation. @note The input number must be finite, i.e. NaN's and Inf's are not supported. @note The buffer must be large enough. @note The result is NOT null-terminated. */ template JSON_HEDLEY_NON_NULL(1, 2) JSON_HEDLEY_RETURNS_NON_NULL char* to_chars(char* first, const char* last, FloatType value) { static_cast(last); // maybe unused - fix warning JSON_ASSERT(std::isfinite(value)); // Use signbit(value) instead of (value < 0) since signbit works for -0. if (std::signbit(value)) { value = -value; *first++ = '-'; } #ifdef __GNUC__ #pragma GCC diagnostic push #pragma GCC diagnostic ignored "-Wfloat-equal" #endif if (value == 0) // +-0 { *first++ = '0'; // Make it look like a floating-point number (#362, #378) *first++ = '.'; *first++ = '0'; return first; } #ifdef __GNUC__ #pragma GCC diagnostic pop #endif JSON_ASSERT(last - first >= std::numeric_limits::max_digits10); // Compute v = buffer * 10^decimal_exponent. // The decimal digits are stored in the buffer, which needs to be interpreted // as an unsigned decimal integer. // len is the length of the buffer, i.e. the number of decimal digits. int len = 0; int decimal_exponent = 0; dtoa_impl::grisu2(first, len, decimal_exponent, value); JSON_ASSERT(len <= std::numeric_limits::max_digits10); // Format the buffer like printf("%.*g", prec, value) constexpr int kMinExp = -4; // Use digits10 here to increase compatibility with version 2. constexpr int kMaxExp = std::numeric_limits::digits10; JSON_ASSERT(last - first >= kMaxExp + 2); JSON_ASSERT(last - first >= 2 + (-kMinExp - 1) + std::numeric_limits::max_digits10); JSON_ASSERT(last - first >= std::numeric_limits::max_digits10 + 6); return dtoa_impl::format_buffer(first, len, decimal_exponent, kMinExp, kMaxExp); } } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/conversions/to_json.hpp000066400000000000000000000376221516317240700315060ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // copy #include // begin, end #include // string #include // tuple, get #include // is_same, is_constructible, is_floating_point, is_enum, underlying_type #include // move, forward, declval, pair #include // valarray #include // vector #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { ////////////////// // constructors // ////////////////// /* * Note all external_constructor<>::construct functions need to call * j.m_data.m_value.destroy(j.m_data.m_type) to avoid a memory leak in case j contains an * allocated value (e.g., a string). See bug issue * https://github.com/nlohmann/json/issues/2865 for more information. */ template struct external_constructor; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::boolean_t b) noexcept { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::boolean; j.m_data.m_value = b; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::string_t& s) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::string; j.m_data.m_value = s; j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::string_t&& s) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::string; j.m_data.m_value = std::move(s); j.assert_invariant(); } template < typename BasicJsonType, typename CompatibleStringType, enable_if_t < !std::is_same::value, int > = 0 > static void construct(BasicJsonType& j, const CompatibleStringType& str) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::string; j.m_data.m_value.string = j.template create(str); j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::binary_t& b) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::binary; j.m_data.m_value = typename BasicJsonType::binary_t(b); j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::binary_t&& b) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::binary; j.m_data.m_value = typename BasicJsonType::binary_t(std::move(b)); j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::number_float_t val) noexcept { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::number_float; j.m_data.m_value = val; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::number_unsigned_t val) noexcept { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::number_unsigned; j.m_data.m_value = val; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::number_integer_t val) noexcept { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::number_integer; j.m_data.m_value = val; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::array_t& arr) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::array; j.m_data.m_value = arr; j.set_parents(); j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::array_t&& arr) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::array; j.m_data.m_value = std::move(arr); j.set_parents(); j.assert_invariant(); } template < typename BasicJsonType, typename CompatibleArrayType, enable_if_t < !std::is_same::value, int > = 0 > static void construct(BasicJsonType& j, const CompatibleArrayType& arr) { using std::begin; using std::end; j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::array; j.m_data.m_value.array = j.template create(begin(arr), end(arr)); j.set_parents(); j.assert_invariant(); } template static void construct(BasicJsonType& j, const std::vector& arr) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::array; j.m_data.m_value = value_t::array; j.m_data.m_value.array->reserve(arr.size()); for (const bool x : arr) { j.m_data.m_value.array->push_back(x); j.set_parent(j.m_data.m_value.array->back()); } j.assert_invariant(); } template::value, int> = 0> static void construct(BasicJsonType& j, const std::valarray& arr) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::array; j.m_data.m_value = value_t::array; j.m_data.m_value.array->resize(arr.size()); if (arr.size() > 0) { std::copy(std::begin(arr), std::end(arr), j.m_data.m_value.array->begin()); } j.set_parents(); j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::object_t& obj) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::object; j.m_data.m_value = obj; j.set_parents(); j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::object_t&& obj) { j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::object; j.m_data.m_value = std::move(obj); j.set_parents(); j.assert_invariant(); } template < typename BasicJsonType, typename CompatibleObjectType, enable_if_t < !std::is_same::value, int > = 0 > static void construct(BasicJsonType& j, const CompatibleObjectType& obj) { using std::begin; using std::end; j.m_data.m_value.destroy(j.m_data.m_type); j.m_data.m_type = value_t::object; j.m_data.m_value.object = j.template create(begin(obj), end(obj)); j.set_parents(); j.assert_invariant(); } }; ///////////// // to_json // ///////////// template::value, int> = 0> inline void to_json(BasicJsonType& j, T b) noexcept { external_constructor::construct(j, b); } template < typename BasicJsonType, typename BoolRef, enable_if_t < ((std::is_same::reference, BoolRef>::value && !std::is_same ::reference, typename BasicJsonType::boolean_t&>::value) || (std::is_same::const_reference, BoolRef>::value && !std::is_same ::const_reference>, typename BasicJsonType::boolean_t >::value)) && std::is_convertible::value, int > = 0 > inline void to_json(BasicJsonType& j, const BoolRef& b) noexcept { external_constructor::construct(j, static_cast(b)); } template::value, int> = 0> inline void to_json(BasicJsonType& j, const CompatibleString& s) { external_constructor::construct(j, s); } template inline void to_json(BasicJsonType& j, typename BasicJsonType::string_t&& s) { external_constructor::construct(j, std::move(s)); } template::value, int> = 0> inline void to_json(BasicJsonType& j, FloatType val) noexcept { external_constructor::construct(j, static_cast(val)); } template::value, int> = 0> inline void to_json(BasicJsonType& j, CompatibleNumberUnsignedType val) noexcept { external_constructor::construct(j, static_cast(val)); } template::value, int> = 0> inline void to_json(BasicJsonType& j, CompatibleNumberIntegerType val) noexcept { external_constructor::construct(j, static_cast(val)); } #if !JSON_DISABLE_ENUM_SERIALIZATION template::value, int> = 0> inline void to_json(BasicJsonType& j, EnumType e) noexcept { using underlying_type = typename std::underlying_type::type; external_constructor::construct(j, static_cast(e)); } #endif // JSON_DISABLE_ENUM_SERIALIZATION template inline void to_json(BasicJsonType& j, const std::vector& e) { external_constructor::construct(j, e); } template < typename BasicJsonType, typename CompatibleArrayType, enable_if_t < is_compatible_array_type::value&& !is_compatible_object_type::value&& !is_compatible_string_type::value&& !std::is_same::value&& !is_basic_json::value, int > = 0 > inline void to_json(BasicJsonType& j, const CompatibleArrayType& arr) { external_constructor::construct(j, arr); } template inline void to_json(BasicJsonType& j, const typename BasicJsonType::binary_t& bin) { external_constructor::construct(j, bin); } template::value, int> = 0> inline void to_json(BasicJsonType& j, const std::valarray& arr) { external_constructor::construct(j, std::move(arr)); } template inline void to_json(BasicJsonType& j, typename BasicJsonType::array_t&& arr) { external_constructor::construct(j, std::move(arr)); } template < typename BasicJsonType, typename CompatibleObjectType, enable_if_t < is_compatible_object_type::value&& !is_basic_json::value, int > = 0 > inline void to_json(BasicJsonType& j, const CompatibleObjectType& obj) { external_constructor::construct(j, obj); } template inline void to_json(BasicJsonType& j, typename BasicJsonType::object_t&& obj) { external_constructor::construct(j, std::move(obj)); } template < typename BasicJsonType, typename T, std::size_t N, enable_if_t < !std::is_constructible::value, // NOLINT(cppcoreguidelines-avoid-c-arrays,hicpp-avoid-c-arrays,modernize-avoid-c-arrays) int > = 0 > inline void to_json(BasicJsonType& j, const T(&arr)[N]) // NOLINT(cppcoreguidelines-avoid-c-arrays,hicpp-avoid-c-arrays,modernize-avoid-c-arrays) { external_constructor::construct(j, arr); } template < typename BasicJsonType, typename T1, typename T2, enable_if_t < std::is_constructible::value&& std::is_constructible::value, int > = 0 > inline void to_json(BasicJsonType& j, const std::pair& p) { j = { p.first, p.second }; } // for https://github.com/nlohmann/json/pull/1134 template>::value, int> = 0> inline void to_json(BasicJsonType& j, const T& b) { j = { {b.key(), b.value()} }; } template inline void to_json_tuple_impl(BasicJsonType& j, const Tuple& t, index_sequence /*unused*/) { j = { std::get(t)... }; } template::value, int > = 0> inline void to_json(BasicJsonType& j, const T& t) { to_json_tuple_impl(j, t, make_index_sequence::value> {}); } #if JSON_HAS_FILESYSTEM || JSON_HAS_EXPERIMENTAL_FILESYSTEM template inline void to_json(BasicJsonType& j, const std_fs::path& p) { j = p.string(); } #endif struct to_json_fn { template auto operator()(BasicJsonType& j, T&& val) const noexcept(noexcept(to_json(j, std::forward(val)))) -> decltype(to_json(j, std::forward(val)), void()) { return to_json(j, std::forward(val)); } }; } // namespace detail #ifndef JSON_HAS_CPP_17 /// namespace to hold default `to_json` function /// to see why this is required: /// http://www.open-std.org/jtc1/sc22/wg21/docs/papers/2015/n4381.html namespace // NOLINT(cert-dcl59-cpp,fuchsia-header-anon-namespaces,google-build-namespaces) { #endif JSON_INLINE_VARIABLE constexpr const auto& to_json = // NOLINT(misc-definitions-in-headers) detail::static_const::value; #ifndef JSON_HAS_CPP_17 } // namespace #endif NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/exceptions.hpp000066400000000000000000000220631516317240700276350ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // nullptr_t #include // exception #if JSON_DIAGNOSTICS #include // accumulate #endif #include // runtime_error #include // to_string #include // vector #include #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { //////////////// // exceptions // //////////////// /// @brief general exception of the @ref basic_json class /// @sa https://json.nlohmann.me/api/basic_json/exception/ class exception : public std::exception { public: /// returns the explanatory string const char* what() const noexcept override { return m.what(); } /// the id of the exception const int id; // NOLINT(cppcoreguidelines-non-private-member-variables-in-classes) protected: JSON_HEDLEY_NON_NULL(3) exception(int id_, const char* what_arg) : id(id_), m(what_arg) {} // NOLINT(bugprone-throw-keyword-missing) static std::string name(const std::string& ename, int id_) { return concat("[json.exception.", ename, '.', std::to_string(id_), "] "); } static std::string diagnostics(std::nullptr_t /*leaf_element*/) { return ""; } template static std::string diagnostics(const BasicJsonType* leaf_element) { #if JSON_DIAGNOSTICS std::vector tokens; for (const auto* current = leaf_element; current != nullptr && current->m_parent != nullptr; current = current->m_parent) { switch (current->m_parent->type()) { case value_t::array: { for (std::size_t i = 0; i < current->m_parent->m_data.m_value.array->size(); ++i) { if (¤t->m_parent->m_data.m_value.array->operator[](i) == current) { tokens.emplace_back(std::to_string(i)); break; } } break; } case value_t::object: { for (const auto& element : *current->m_parent->m_data.m_value.object) { if (&element.second == current) { tokens.emplace_back(element.first.c_str()); break; } } break; } case value_t::null: // LCOV_EXCL_LINE case value_t::string: // LCOV_EXCL_LINE case value_t::boolean: // LCOV_EXCL_LINE case value_t::number_integer: // LCOV_EXCL_LINE case value_t::number_unsigned: // LCOV_EXCL_LINE case value_t::number_float: // LCOV_EXCL_LINE case value_t::binary: // LCOV_EXCL_LINE case value_t::discarded: // LCOV_EXCL_LINE default: // LCOV_EXCL_LINE break; // LCOV_EXCL_LINE } } if (tokens.empty()) { return ""; } auto str = std::accumulate(tokens.rbegin(), tokens.rend(), std::string{}, [](const std::string & a, const std::string & b) { return concat(a, '/', detail::escape(b)); }); return concat('(', str, ") "); #else static_cast(leaf_element); return ""; #endif } private: /// an exception object as storage for error messages std::runtime_error m; }; /// @brief exception indicating a parse error /// @sa https://json.nlohmann.me/api/basic_json/parse_error/ class parse_error : public exception { public: /*! @brief create a parse error exception @param[in] id_ the id of the exception @param[in] pos the position where the error occurred (or with chars_read_total=0 if the position cannot be determined) @param[in] what_arg the explanatory string @return parse_error object */ template::value, int> = 0> static parse_error create(int id_, const position_t& pos, const std::string& what_arg, BasicJsonContext context) { const std::string w = concat(exception::name("parse_error", id_), "parse error", position_string(pos), ": ", exception::diagnostics(context), what_arg); return {id_, pos.chars_read_total, w.c_str()}; } template::value, int> = 0> static parse_error create(int id_, std::size_t byte_, const std::string& what_arg, BasicJsonContext context) { const std::string w = concat(exception::name("parse_error", id_), "parse error", (byte_ != 0 ? (concat(" at byte ", std::to_string(byte_))) : ""), ": ", exception::diagnostics(context), what_arg); return {id_, byte_, w.c_str()}; } /*! @brief byte index of the parse error The byte index of the last read character in the input file. @note For an input with n bytes, 1 is the index of the first character and n+1 is the index of the terminating null byte or the end of file. This also holds true when reading a byte vector (CBOR or MessagePack). */ const std::size_t byte; private: parse_error(int id_, std::size_t byte_, const char* what_arg) : exception(id_, what_arg), byte(byte_) {} static std::string position_string(const position_t& pos) { return concat(" at line ", std::to_string(pos.lines_read + 1), ", column ", std::to_string(pos.chars_read_current_line)); } }; /// @brief exception indicating errors with iterators /// @sa https://json.nlohmann.me/api/basic_json/invalid_iterator/ class invalid_iterator : public exception { public: template::value, int> = 0> static invalid_iterator create(int id_, const std::string& what_arg, BasicJsonContext context) { const std::string w = concat(exception::name("invalid_iterator", id_), exception::diagnostics(context), what_arg); return {id_, w.c_str()}; } private: JSON_HEDLEY_NON_NULL(3) invalid_iterator(int id_, const char* what_arg) : exception(id_, what_arg) {} }; /// @brief exception indicating executing a member function with a wrong type /// @sa https://json.nlohmann.me/api/basic_json/type_error/ class type_error : public exception { public: template::value, int> = 0> static type_error create(int id_, const std::string& what_arg, BasicJsonContext context) { const std::string w = concat(exception::name("type_error", id_), exception::diagnostics(context), what_arg); return {id_, w.c_str()}; } private: JSON_HEDLEY_NON_NULL(3) type_error(int id_, const char* what_arg) : exception(id_, what_arg) {} }; /// @brief exception indicating access out of the defined range /// @sa https://json.nlohmann.me/api/basic_json/out_of_range/ class out_of_range : public exception { public: template::value, int> = 0> static out_of_range create(int id_, const std::string& what_arg, BasicJsonContext context) { const std::string w = concat(exception::name("out_of_range", id_), exception::diagnostics(context), what_arg); return {id_, w.c_str()}; } private: JSON_HEDLEY_NON_NULL(3) out_of_range(int id_, const char* what_arg) : exception(id_, what_arg) {} }; /// @brief exception indicating other library errors /// @sa https://json.nlohmann.me/api/basic_json/other_error/ class other_error : public exception { public: template::value, int> = 0> static other_error create(int id_, const std::string& what_arg, BasicJsonContext context) { const std::string w = concat(exception::name("other_error", id_), exception::diagnostics(context), what_arg); return {id_, w.c_str()}; } private: JSON_HEDLEY_NON_NULL(3) other_error(int id_, const char* what_arg) : exception(id_, what_arg) {} }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/hash.hpp000066400000000000000000000076601516317240700264050ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // uint8_t #include // size_t #include // hash #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { // boost::hash_combine inline std::size_t combine(std::size_t seed, std::size_t h) noexcept { seed ^= h + 0x9e3779b9 + (seed << 6U) + (seed >> 2U); return seed; } /*! @brief hash a JSON value The hash function tries to rely on std::hash where possible. Furthermore, the type of the JSON value is taken into account to have different hash values for null, 0, 0U, and false, etc. @tparam BasicJsonType basic_json specialization @param j JSON value to hash @return hash value of j */ template std::size_t hash(const BasicJsonType& j) { using string_t = typename BasicJsonType::string_t; using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; const auto type = static_cast(j.type()); switch (j.type()) { case BasicJsonType::value_t::null: case BasicJsonType::value_t::discarded: { return combine(type, 0); } case BasicJsonType::value_t::object: { auto seed = combine(type, j.size()); for (const auto& element : j.items()) { const auto h = std::hash {}(element.key()); seed = combine(seed, h); seed = combine(seed, hash(element.value())); } return seed; } case BasicJsonType::value_t::array: { auto seed = combine(type, j.size()); for (const auto& element : j) { seed = combine(seed, hash(element)); } return seed; } case BasicJsonType::value_t::string: { const auto h = std::hash {}(j.template get_ref()); return combine(type, h); } case BasicJsonType::value_t::boolean: { const auto h = std::hash {}(j.template get()); return combine(type, h); } case BasicJsonType::value_t::number_integer: { const auto h = std::hash {}(j.template get()); return combine(type, h); } case BasicJsonType::value_t::number_unsigned: { const auto h = std::hash {}(j.template get()); return combine(type, h); } case BasicJsonType::value_t::number_float: { const auto h = std::hash {}(j.template get()); return combine(type, h); } case BasicJsonType::value_t::binary: { auto seed = combine(type, j.get_binary().size()); const auto h = std::hash {}(j.get_binary().has_subtype()); seed = combine(seed, h); seed = combine(seed, static_cast(j.get_binary().subtype())); for (const auto byte : j.get_binary()) { seed = combine(seed, std::hash {}(byte)); } return seed; } default: // LCOV_EXCL_LINE JSON_ASSERT(false); // NOLINT(cert-dcl03-c,hicpp-static-assert,misc-static-assert) LCOV_EXCL_LINE return 0; // LCOV_EXCL_LINE } } } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/000077500000000000000000000000001516317240700260775ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/binary_reader.hpp000066400000000000000000003113521516317240700314230ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // generate_n #include // array #include // ldexp #include // size_t #include // uint8_t, uint16_t, uint32_t, uint64_t #include // snprintf #include // memcpy #include // back_inserter #include // numeric_limits #include // char_traits, string #include // make_pair, move #include // vector #include #include #include #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /// how to treat CBOR tags enum class cbor_tag_handler_t { error, ///< throw a parse_error exception in case of a tag ignore, ///< ignore tags store ///< store tags as binary type }; /*! @brief determine system byte order @return true if and only if system's byte order is little endian @note from https://stackoverflow.com/a/1001328/266378 */ static inline bool little_endianness(int num = 1) noexcept { return *reinterpret_cast(&num) == 1; } /////////////////// // binary reader // /////////////////// /*! @brief deserialization of CBOR, MessagePack, and UBJSON values */ template> class binary_reader { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; using json_sax_t = SAX; using char_type = typename InputAdapterType::char_type; using char_int_type = typename char_traits::int_type; public: /*! @brief create a binary reader @param[in] adapter input adapter to read from */ explicit binary_reader(InputAdapterType&& adapter, const input_format_t format = input_format_t::json) noexcept : ia(std::move(adapter)), input_format(format) { (void)detail::is_sax_static_asserts {}; } // make class move-only binary_reader(const binary_reader&) = delete; binary_reader(binary_reader&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) binary_reader& operator=(const binary_reader&) = delete; binary_reader& operator=(binary_reader&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) ~binary_reader() = default; /*! @param[in] format the binary format to parse @param[in] sax_ a SAX event processor @param[in] strict whether to expect the input to be consumed completed @param[in] tag_handler how to treat CBOR tags @return whether parsing was successful */ JSON_HEDLEY_NON_NULL(3) bool sax_parse(const input_format_t format, json_sax_t* sax_, const bool strict = true, const cbor_tag_handler_t tag_handler = cbor_tag_handler_t::error) { sax = sax_; bool result = false; switch (format) { case input_format_t::bson: result = parse_bson_internal(); break; case input_format_t::cbor: result = parse_cbor_internal(true, tag_handler); break; case input_format_t::msgpack: result = parse_msgpack_internal(); break; case input_format_t::ubjson: case input_format_t::bjdata: result = parse_ubjson_internal(); break; case input_format_t::json: // LCOV_EXCL_LINE default: // LCOV_EXCL_LINE JSON_ASSERT(false); // NOLINT(cert-dcl03-c,hicpp-static-assert,misc-static-assert) LCOV_EXCL_LINE } // strict mode: next byte must be EOF if (result && strict) { if (input_format == input_format_t::ubjson || input_format == input_format_t::bjdata) { get_ignore_noop(); } else { get(); } if (JSON_HEDLEY_UNLIKELY(current != char_traits::eof())) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(110, chars_read, exception_message(input_format, concat("expected end of input; last byte: 0x", get_token_string()), "value"), nullptr)); } } return result; } private: ////////// // BSON // ////////// /*! @brief Reads in a BSON-object and passes it to the SAX-parser. @return whether a valid BSON-value was passed to the SAX parser */ bool parse_bson_internal() { std::int32_t document_size{}; get_number(input_format_t::bson, document_size); if (JSON_HEDLEY_UNLIKELY(!sax->start_object(static_cast(-1)))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_bson_element_list(/*is_array*/false))) { return false; } return sax->end_object(); } /*! @brief Parses a C-style string from the BSON input. @param[in,out] result A reference to the string variable where the read string is to be stored. @return `true` if the \x00-byte indicating the end of the string was encountered before the EOF; false` indicates an unexpected EOF. */ bool get_bson_cstr(string_t& result) { auto out = std::back_inserter(result); while (true) { get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::bson, "cstring"))) { return false; } if (current == 0x00) { return true; } *out++ = static_cast(current); } } /*! @brief Parses a zero-terminated string of length @a len from the BSON input. @param[in] len The length (including the zero-byte at the end) of the string to be read. @param[in,out] result A reference to the string variable where the read string is to be stored. @tparam NumberType The type of the length @a len @pre len >= 1 @return `true` if the string was successfully parsed */ template bool get_bson_string(const NumberType len, string_t& result) { if (JSON_HEDLEY_UNLIKELY(len < 1)) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format_t::bson, concat("string length must be at least 1, is ", std::to_string(len)), "string"), nullptr)); } return get_string(input_format_t::bson, len - static_cast(1), result) && get() != char_traits::eof(); } /*! @brief Parses a byte array input of length @a len from the BSON input. @param[in] len The length of the byte array to be read. @param[in,out] result A reference to the binary variable where the read array is to be stored. @tparam NumberType The type of the length @a len @pre len >= 0 @return `true` if the byte array was successfully parsed */ template bool get_bson_binary(const NumberType len, binary_t& result) { if (JSON_HEDLEY_UNLIKELY(len < 0)) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format_t::bson, concat("byte array length cannot be negative, is ", std::to_string(len)), "binary"), nullptr)); } // All BSON binary values have a subtype std::uint8_t subtype{}; get_number(input_format_t::bson, subtype); result.set_subtype(subtype); return get_binary(input_format_t::bson, len, result); } /*! @brief Read a BSON document element of the given @a element_type. @param[in] element_type The BSON element type, c.f. http://bsonspec.org/spec.html @param[in] element_type_parse_position The position in the input stream, where the `element_type` was read. @warning Not all BSON element types are supported yet. An unsupported @a element_type will give rise to a parse_error.114: Unsupported BSON record type 0x... @return whether a valid BSON-object/array was passed to the SAX parser */ bool parse_bson_element_internal(const char_int_type element_type, const std::size_t element_type_parse_position) { switch (element_type) { case 0x01: // double { double number{}; return get_number(input_format_t::bson, number) && sax->number_float(static_cast(number), ""); } case 0x02: // string { std::int32_t len{}; string_t value; return get_number(input_format_t::bson, len) && get_bson_string(len, value) && sax->string(value); } case 0x03: // object { return parse_bson_internal(); } case 0x04: // array { return parse_bson_array(); } case 0x05: // binary { std::int32_t len{}; binary_t value; return get_number(input_format_t::bson, len) && get_bson_binary(len, value) && sax->binary(value); } case 0x08: // boolean { return sax->boolean(get() != 0); } case 0x0A: // null { return sax->null(); } case 0x10: // int32 { std::int32_t value{}; return get_number(input_format_t::bson, value) && sax->number_integer(value); } case 0x12: // int64 { std::int64_t value{}; return get_number(input_format_t::bson, value) && sax->number_integer(value); } default: // anything else not supported (yet) { std::array cr{{}}; static_cast((std::snprintf)(cr.data(), cr.size(), "%.2hhX", static_cast(element_type))); // NOLINT(cppcoreguidelines-pro-type-vararg,hicpp-vararg) const std::string cr_str{cr.data()}; return sax->parse_error(element_type_parse_position, cr_str, parse_error::create(114, element_type_parse_position, concat("Unsupported BSON record type 0x", cr_str), nullptr)); } } } /*! @brief Read a BSON element list (as specified in the BSON-spec) The same binary layout is used for objects and arrays, hence it must be indicated with the argument @a is_array which one is expected (true --> array, false --> object). @param[in] is_array Determines if the element list being read is to be treated as an object (@a is_array == false), or as an array (@a is_array == true). @return whether a valid BSON-object/array was passed to the SAX parser */ bool parse_bson_element_list(const bool is_array) { string_t key; while (auto element_type = get()) { if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::bson, "element list"))) { return false; } const std::size_t element_type_parse_position = chars_read; if (JSON_HEDLEY_UNLIKELY(!get_bson_cstr(key))) { return false; } if (!is_array && !sax->key(key)) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_bson_element_internal(element_type, element_type_parse_position))) { return false; } // get_bson_cstr only appends key.clear(); } return true; } /*! @brief Reads an array from the BSON input and passes it to the SAX-parser. @return whether a valid BSON-array was passed to the SAX parser */ bool parse_bson_array() { std::int32_t document_size{}; get_number(input_format_t::bson, document_size); if (JSON_HEDLEY_UNLIKELY(!sax->start_array(static_cast(-1)))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_bson_element_list(/*is_array*/true))) { return false; } return sax->end_array(); } ////////// // CBOR // ////////// /*! @param[in] get_char whether a new character should be retrieved from the input (true) or whether the last read character should be considered instead (false) @param[in] tag_handler how CBOR tags should be treated @return whether a valid CBOR value was passed to the SAX parser */ bool parse_cbor_internal(const bool get_char, const cbor_tag_handler_t tag_handler) { switch (get_char ? get() : current) { // EOF case char_traits::eof(): return unexpect_eof(input_format_t::cbor, "value"); // Integer 0x00..0x17 (0..23) case 0x00: case 0x01: case 0x02: case 0x03: case 0x04: case 0x05: case 0x06: case 0x07: case 0x08: case 0x09: case 0x0A: case 0x0B: case 0x0C: case 0x0D: case 0x0E: case 0x0F: case 0x10: case 0x11: case 0x12: case 0x13: case 0x14: case 0x15: case 0x16: case 0x17: return sax->number_unsigned(static_cast(current)); case 0x18: // Unsigned integer (one-byte uint8_t follows) { std::uint8_t number{}; return get_number(input_format_t::cbor, number) && sax->number_unsigned(number); } case 0x19: // Unsigned integer (two-byte uint16_t follows) { std::uint16_t number{}; return get_number(input_format_t::cbor, number) && sax->number_unsigned(number); } case 0x1A: // Unsigned integer (four-byte uint32_t follows) { std::uint32_t number{}; return get_number(input_format_t::cbor, number) && sax->number_unsigned(number); } case 0x1B: // Unsigned integer (eight-byte uint64_t follows) { std::uint64_t number{}; return get_number(input_format_t::cbor, number) && sax->number_unsigned(number); } // Negative integer -1-0x00..-1-0x17 (-1..-24) case 0x20: case 0x21: case 0x22: case 0x23: case 0x24: case 0x25: case 0x26: case 0x27: case 0x28: case 0x29: case 0x2A: case 0x2B: case 0x2C: case 0x2D: case 0x2E: case 0x2F: case 0x30: case 0x31: case 0x32: case 0x33: case 0x34: case 0x35: case 0x36: case 0x37: return sax->number_integer(static_cast(0x20 - 1 - current)); case 0x38: // Negative integer (one-byte uint8_t follows) { std::uint8_t number{}; return get_number(input_format_t::cbor, number) && sax->number_integer(static_cast(-1) - number); } case 0x39: // Negative integer -1-n (two-byte uint16_t follows) { std::uint16_t number{}; return get_number(input_format_t::cbor, number) && sax->number_integer(static_cast(-1) - number); } case 0x3A: // Negative integer -1-n (four-byte uint32_t follows) { std::uint32_t number{}; return get_number(input_format_t::cbor, number) && sax->number_integer(static_cast(-1) - number); } case 0x3B: // Negative integer -1-n (eight-byte uint64_t follows) { std::uint64_t number{}; return get_number(input_format_t::cbor, number) && sax->number_integer(static_cast(-1) - static_cast(number)); } // Binary data (0x00..0x17 bytes follow) case 0x40: case 0x41: case 0x42: case 0x43: case 0x44: case 0x45: case 0x46: case 0x47: case 0x48: case 0x49: case 0x4A: case 0x4B: case 0x4C: case 0x4D: case 0x4E: case 0x4F: case 0x50: case 0x51: case 0x52: case 0x53: case 0x54: case 0x55: case 0x56: case 0x57: case 0x58: // Binary data (one-byte uint8_t for n follows) case 0x59: // Binary data (two-byte uint16_t for n follow) case 0x5A: // Binary data (four-byte uint32_t for n follow) case 0x5B: // Binary data (eight-byte uint64_t for n follow) case 0x5F: // Binary data (indefinite length) { binary_t b; return get_cbor_binary(b) && sax->binary(b); } // UTF-8 string (0x00..0x17 bytes follow) case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: case 0x78: // UTF-8 string (one-byte uint8_t for n follows) case 0x79: // UTF-8 string (two-byte uint16_t for n follow) case 0x7A: // UTF-8 string (four-byte uint32_t for n follow) case 0x7B: // UTF-8 string (eight-byte uint64_t for n follow) case 0x7F: // UTF-8 string (indefinite length) { string_t s; return get_cbor_string(s) && sax->string(s); } // array (0x00..0x17 data items follow) case 0x80: case 0x81: case 0x82: case 0x83: case 0x84: case 0x85: case 0x86: case 0x87: case 0x88: case 0x89: case 0x8A: case 0x8B: case 0x8C: case 0x8D: case 0x8E: case 0x8F: case 0x90: case 0x91: case 0x92: case 0x93: case 0x94: case 0x95: case 0x96: case 0x97: return get_cbor_array( conditional_static_cast(static_cast(current) & 0x1Fu), tag_handler); case 0x98: // array (one-byte uint8_t for n follows) { std::uint8_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_array(static_cast(len), tag_handler); } case 0x99: // array (two-byte uint16_t for n follow) { std::uint16_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_array(static_cast(len), tag_handler); } case 0x9A: // array (four-byte uint32_t for n follow) { std::uint32_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_array(conditional_static_cast(len), tag_handler); } case 0x9B: // array (eight-byte uint64_t for n follow) { std::uint64_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_array(conditional_static_cast(len), tag_handler); } case 0x9F: // array (indefinite length) return get_cbor_array(static_cast(-1), tag_handler); // map (0x00..0x17 pairs of data items follow) case 0xA0: case 0xA1: case 0xA2: case 0xA3: case 0xA4: case 0xA5: case 0xA6: case 0xA7: case 0xA8: case 0xA9: case 0xAA: case 0xAB: case 0xAC: case 0xAD: case 0xAE: case 0xAF: case 0xB0: case 0xB1: case 0xB2: case 0xB3: case 0xB4: case 0xB5: case 0xB6: case 0xB7: return get_cbor_object(conditional_static_cast(static_cast(current) & 0x1Fu), tag_handler); case 0xB8: // map (one-byte uint8_t for n follows) { std::uint8_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_object(static_cast(len), tag_handler); } case 0xB9: // map (two-byte uint16_t for n follow) { std::uint16_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_object(static_cast(len), tag_handler); } case 0xBA: // map (four-byte uint32_t for n follow) { std::uint32_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_object(conditional_static_cast(len), tag_handler); } case 0xBB: // map (eight-byte uint64_t for n follow) { std::uint64_t len{}; return get_number(input_format_t::cbor, len) && get_cbor_object(conditional_static_cast(len), tag_handler); } case 0xBF: // map (indefinite length) return get_cbor_object(static_cast(-1), tag_handler); case 0xC6: // tagged item case 0xC7: case 0xC8: case 0xC9: case 0xCA: case 0xCB: case 0xCC: case 0xCD: case 0xCE: case 0xCF: case 0xD0: case 0xD1: case 0xD2: case 0xD3: case 0xD4: case 0xD8: // tagged item (1 bytes follow) case 0xD9: // tagged item (2 bytes follow) case 0xDA: // tagged item (4 bytes follow) case 0xDB: // tagged item (8 bytes follow) { switch (tag_handler) { case cbor_tag_handler_t::error: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format_t::cbor, concat("invalid byte: 0x", last_token), "value"), nullptr)); } case cbor_tag_handler_t::ignore: { // ignore binary subtype switch (current) { case 0xD8: { std::uint8_t subtype_to_ignore{}; get_number(input_format_t::cbor, subtype_to_ignore); break; } case 0xD9: { std::uint16_t subtype_to_ignore{}; get_number(input_format_t::cbor, subtype_to_ignore); break; } case 0xDA: { std::uint32_t subtype_to_ignore{}; get_number(input_format_t::cbor, subtype_to_ignore); break; } case 0xDB: { std::uint64_t subtype_to_ignore{}; get_number(input_format_t::cbor, subtype_to_ignore); break; } default: break; } return parse_cbor_internal(true, tag_handler); } case cbor_tag_handler_t::store: { binary_t b; // use binary subtype and store in binary container switch (current) { case 0xD8: { std::uint8_t subtype{}; get_number(input_format_t::cbor, subtype); b.set_subtype(detail::conditional_static_cast(subtype)); break; } case 0xD9: { std::uint16_t subtype{}; get_number(input_format_t::cbor, subtype); b.set_subtype(detail::conditional_static_cast(subtype)); break; } case 0xDA: { std::uint32_t subtype{}; get_number(input_format_t::cbor, subtype); b.set_subtype(detail::conditional_static_cast(subtype)); break; } case 0xDB: { std::uint64_t subtype{}; get_number(input_format_t::cbor, subtype); b.set_subtype(detail::conditional_static_cast(subtype)); break; } default: return parse_cbor_internal(true, tag_handler); } get(); return get_cbor_binary(b) && sax->binary(b); } default: // LCOV_EXCL_LINE JSON_ASSERT(false); // NOLINT(cert-dcl03-c,hicpp-static-assert,misc-static-assert) LCOV_EXCL_LINE return false; // LCOV_EXCL_LINE } } case 0xF4: // false return sax->boolean(false); case 0xF5: // true return sax->boolean(true); case 0xF6: // null return sax->null(); case 0xF9: // Half-Precision Float (two-byte IEEE 754) { const auto byte1_raw = get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::cbor, "number"))) { return false; } const auto byte2_raw = get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::cbor, "number"))) { return false; } const auto byte1 = static_cast(byte1_raw); const auto byte2 = static_cast(byte2_raw); // code from RFC 7049, Appendix D, Figure 3: // As half-precision floating-point numbers were only added // to IEEE 754 in 2008, today's programming platforms often // still only have limited support for them. It is very // easy to include at least decoding support for them even // without such support. An example of a small decoder for // half-precision floating-point numbers in the C language // is shown in Fig. 3. const auto half = static_cast((byte1 << 8u) + byte2); const double val = [&half] { const int exp = (half >> 10u) & 0x1Fu; const unsigned int mant = half & 0x3FFu; JSON_ASSERT(0 <= exp&& exp <= 32); JSON_ASSERT(mant <= 1024); switch (exp) { case 0: return std::ldexp(mant, -24); case 31: return (mant == 0) ? std::numeric_limits::infinity() : std::numeric_limits::quiet_NaN(); default: return std::ldexp(mant + 1024, exp - 25); } }(); return sax->number_float((half & 0x8000u) != 0 ? static_cast(-val) : static_cast(val), ""); } case 0xFA: // Single-Precision Float (four-byte IEEE 754) { float number{}; return get_number(input_format_t::cbor, number) && sax->number_float(static_cast(number), ""); } case 0xFB: // Double-Precision Float (eight-byte IEEE 754) { double number{}; return get_number(input_format_t::cbor, number) && sax->number_float(static_cast(number), ""); } default: // anything else (0xFF is handled inside the other types) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format_t::cbor, concat("invalid byte: 0x", last_token), "value"), nullptr)); } } } /*! @brief reads a CBOR string This function first reads starting bytes to determine the expected string length and then copies this number of bytes into a string. Additionally, CBOR's strings with indefinite lengths are supported. @param[out] result created string @return whether string creation completed */ bool get_cbor_string(string_t& result) { if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::cbor, "string"))) { return false; } switch (current) { // UTF-8 string (0x00..0x17 bytes follow) case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: { return get_string(input_format_t::cbor, static_cast(current) & 0x1Fu, result); } case 0x78: // UTF-8 string (one-byte uint8_t for n follows) { std::uint8_t len{}; return get_number(input_format_t::cbor, len) && get_string(input_format_t::cbor, len, result); } case 0x79: // UTF-8 string (two-byte uint16_t for n follow) { std::uint16_t len{}; return get_number(input_format_t::cbor, len) && get_string(input_format_t::cbor, len, result); } case 0x7A: // UTF-8 string (four-byte uint32_t for n follow) { std::uint32_t len{}; return get_number(input_format_t::cbor, len) && get_string(input_format_t::cbor, len, result); } case 0x7B: // UTF-8 string (eight-byte uint64_t for n follow) { std::uint64_t len{}; return get_number(input_format_t::cbor, len) && get_string(input_format_t::cbor, len, result); } case 0x7F: // UTF-8 string (indefinite length) { while (get() != 0xFF) { string_t chunk; if (!get_cbor_string(chunk)) { return false; } result.append(chunk); } return true; } default: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, exception_message(input_format_t::cbor, concat("expected length specification (0x60-0x7B) or indefinite string type (0x7F); last byte: 0x", last_token), "string"), nullptr)); } } } /*! @brief reads a CBOR byte array This function first reads starting bytes to determine the expected byte array length and then copies this number of bytes into the byte array. Additionally, CBOR's byte arrays with indefinite lengths are supported. @param[out] result created byte array @return whether byte array creation completed */ bool get_cbor_binary(binary_t& result) { if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::cbor, "binary"))) { return false; } switch (current) { // Binary data (0x00..0x17 bytes follow) case 0x40: case 0x41: case 0x42: case 0x43: case 0x44: case 0x45: case 0x46: case 0x47: case 0x48: case 0x49: case 0x4A: case 0x4B: case 0x4C: case 0x4D: case 0x4E: case 0x4F: case 0x50: case 0x51: case 0x52: case 0x53: case 0x54: case 0x55: case 0x56: case 0x57: { return get_binary(input_format_t::cbor, static_cast(current) & 0x1Fu, result); } case 0x58: // Binary data (one-byte uint8_t for n follows) { std::uint8_t len{}; return get_number(input_format_t::cbor, len) && get_binary(input_format_t::cbor, len, result); } case 0x59: // Binary data (two-byte uint16_t for n follow) { std::uint16_t len{}; return get_number(input_format_t::cbor, len) && get_binary(input_format_t::cbor, len, result); } case 0x5A: // Binary data (four-byte uint32_t for n follow) { std::uint32_t len{}; return get_number(input_format_t::cbor, len) && get_binary(input_format_t::cbor, len, result); } case 0x5B: // Binary data (eight-byte uint64_t for n follow) { std::uint64_t len{}; return get_number(input_format_t::cbor, len) && get_binary(input_format_t::cbor, len, result); } case 0x5F: // Binary data (indefinite length) { while (get() != 0xFF) { binary_t chunk; if (!get_cbor_binary(chunk)) { return false; } result.insert(result.end(), chunk.begin(), chunk.end()); } return true; } default: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, exception_message(input_format_t::cbor, concat("expected length specification (0x40-0x5B) or indefinite binary array type (0x5F); last byte: 0x", last_token), "binary"), nullptr)); } } } /*! @param[in] len the length of the array or static_cast(-1) for an array of indefinite size @param[in] tag_handler how CBOR tags should be treated @return whether array creation completed */ bool get_cbor_array(const std::size_t len, const cbor_tag_handler_t tag_handler) { if (JSON_HEDLEY_UNLIKELY(!sax->start_array(len))) { return false; } if (len != static_cast(-1)) { for (std::size_t i = 0; i < len; ++i) { if (JSON_HEDLEY_UNLIKELY(!parse_cbor_internal(true, tag_handler))) { return false; } } } else { while (get() != 0xFF) { if (JSON_HEDLEY_UNLIKELY(!parse_cbor_internal(false, tag_handler))) { return false; } } } return sax->end_array(); } /*! @param[in] len the length of the object or static_cast(-1) for an object of indefinite size @param[in] tag_handler how CBOR tags should be treated @return whether object creation completed */ bool get_cbor_object(const std::size_t len, const cbor_tag_handler_t tag_handler) { if (JSON_HEDLEY_UNLIKELY(!sax->start_object(len))) { return false; } if (len != 0) { string_t key; if (len != static_cast(-1)) { for (std::size_t i = 0; i < len; ++i) { get(); if (JSON_HEDLEY_UNLIKELY(!get_cbor_string(key) || !sax->key(key))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_cbor_internal(true, tag_handler))) { return false; } key.clear(); } } else { while (get() != 0xFF) { if (JSON_HEDLEY_UNLIKELY(!get_cbor_string(key) || !sax->key(key))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_cbor_internal(true, tag_handler))) { return false; } key.clear(); } } } return sax->end_object(); } ///////////// // MsgPack // ///////////// /*! @return whether a valid MessagePack value was passed to the SAX parser */ bool parse_msgpack_internal() { switch (get()) { // EOF case char_traits::eof(): return unexpect_eof(input_format_t::msgpack, "value"); // positive fixint case 0x00: case 0x01: case 0x02: case 0x03: case 0x04: case 0x05: case 0x06: case 0x07: case 0x08: case 0x09: case 0x0A: case 0x0B: case 0x0C: case 0x0D: case 0x0E: case 0x0F: case 0x10: case 0x11: case 0x12: case 0x13: case 0x14: case 0x15: case 0x16: case 0x17: case 0x18: case 0x19: case 0x1A: case 0x1B: case 0x1C: case 0x1D: case 0x1E: case 0x1F: case 0x20: case 0x21: case 0x22: case 0x23: case 0x24: case 0x25: case 0x26: case 0x27: case 0x28: case 0x29: case 0x2A: case 0x2B: case 0x2C: case 0x2D: case 0x2E: case 0x2F: case 0x30: case 0x31: case 0x32: case 0x33: case 0x34: case 0x35: case 0x36: case 0x37: case 0x38: case 0x39: case 0x3A: case 0x3B: case 0x3C: case 0x3D: case 0x3E: case 0x3F: case 0x40: case 0x41: case 0x42: case 0x43: case 0x44: case 0x45: case 0x46: case 0x47: case 0x48: case 0x49: case 0x4A: case 0x4B: case 0x4C: case 0x4D: case 0x4E: case 0x4F: case 0x50: case 0x51: case 0x52: case 0x53: case 0x54: case 0x55: case 0x56: case 0x57: case 0x58: case 0x59: case 0x5A: case 0x5B: case 0x5C: case 0x5D: case 0x5E: case 0x5F: case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: case 0x78: case 0x79: case 0x7A: case 0x7B: case 0x7C: case 0x7D: case 0x7E: case 0x7F: return sax->number_unsigned(static_cast(current)); // fixmap case 0x80: case 0x81: case 0x82: case 0x83: case 0x84: case 0x85: case 0x86: case 0x87: case 0x88: case 0x89: case 0x8A: case 0x8B: case 0x8C: case 0x8D: case 0x8E: case 0x8F: return get_msgpack_object(conditional_static_cast(static_cast(current) & 0x0Fu)); // fixarray case 0x90: case 0x91: case 0x92: case 0x93: case 0x94: case 0x95: case 0x96: case 0x97: case 0x98: case 0x99: case 0x9A: case 0x9B: case 0x9C: case 0x9D: case 0x9E: case 0x9F: return get_msgpack_array(conditional_static_cast(static_cast(current) & 0x0Fu)); // fixstr case 0xA0: case 0xA1: case 0xA2: case 0xA3: case 0xA4: case 0xA5: case 0xA6: case 0xA7: case 0xA8: case 0xA9: case 0xAA: case 0xAB: case 0xAC: case 0xAD: case 0xAE: case 0xAF: case 0xB0: case 0xB1: case 0xB2: case 0xB3: case 0xB4: case 0xB5: case 0xB6: case 0xB7: case 0xB8: case 0xB9: case 0xBA: case 0xBB: case 0xBC: case 0xBD: case 0xBE: case 0xBF: case 0xD9: // str 8 case 0xDA: // str 16 case 0xDB: // str 32 { string_t s; return get_msgpack_string(s) && sax->string(s); } case 0xC0: // nil return sax->null(); case 0xC2: // false return sax->boolean(false); case 0xC3: // true return sax->boolean(true); case 0xC4: // bin 8 case 0xC5: // bin 16 case 0xC6: // bin 32 case 0xC7: // ext 8 case 0xC8: // ext 16 case 0xC9: // ext 32 case 0xD4: // fixext 1 case 0xD5: // fixext 2 case 0xD6: // fixext 4 case 0xD7: // fixext 8 case 0xD8: // fixext 16 { binary_t b; return get_msgpack_binary(b) && sax->binary(b); } case 0xCA: // float 32 { float number{}; return get_number(input_format_t::msgpack, number) && sax->number_float(static_cast(number), ""); } case 0xCB: // float 64 { double number{}; return get_number(input_format_t::msgpack, number) && sax->number_float(static_cast(number), ""); } case 0xCC: // uint 8 { std::uint8_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_unsigned(number); } case 0xCD: // uint 16 { std::uint16_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_unsigned(number); } case 0xCE: // uint 32 { std::uint32_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_unsigned(number); } case 0xCF: // uint 64 { std::uint64_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_unsigned(number); } case 0xD0: // int 8 { std::int8_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_integer(number); } case 0xD1: // int 16 { std::int16_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_integer(number); } case 0xD2: // int 32 { std::int32_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_integer(number); } case 0xD3: // int 64 { std::int64_t number{}; return get_number(input_format_t::msgpack, number) && sax->number_integer(number); } case 0xDC: // array 16 { std::uint16_t len{}; return get_number(input_format_t::msgpack, len) && get_msgpack_array(static_cast(len)); } case 0xDD: // array 32 { std::uint32_t len{}; return get_number(input_format_t::msgpack, len) && get_msgpack_array(conditional_static_cast(len)); } case 0xDE: // map 16 { std::uint16_t len{}; return get_number(input_format_t::msgpack, len) && get_msgpack_object(static_cast(len)); } case 0xDF: // map 32 { std::uint32_t len{}; return get_number(input_format_t::msgpack, len) && get_msgpack_object(conditional_static_cast(len)); } // negative fixint case 0xE0: case 0xE1: case 0xE2: case 0xE3: case 0xE4: case 0xE5: case 0xE6: case 0xE7: case 0xE8: case 0xE9: case 0xEA: case 0xEB: case 0xEC: case 0xED: case 0xEE: case 0xEF: case 0xF0: case 0xF1: case 0xF2: case 0xF3: case 0xF4: case 0xF5: case 0xF6: case 0xF7: case 0xF8: case 0xF9: case 0xFA: case 0xFB: case 0xFC: case 0xFD: case 0xFE: case 0xFF: return sax->number_integer(static_cast(current)); default: // anything else { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format_t::msgpack, concat("invalid byte: 0x", last_token), "value"), nullptr)); } } } /*! @brief reads a MessagePack string This function first reads starting bytes to determine the expected string length and then copies this number of bytes into a string. @param[out] result created string @return whether string creation completed */ bool get_msgpack_string(string_t& result) { if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format_t::msgpack, "string"))) { return false; } switch (current) { // fixstr case 0xA0: case 0xA1: case 0xA2: case 0xA3: case 0xA4: case 0xA5: case 0xA6: case 0xA7: case 0xA8: case 0xA9: case 0xAA: case 0xAB: case 0xAC: case 0xAD: case 0xAE: case 0xAF: case 0xB0: case 0xB1: case 0xB2: case 0xB3: case 0xB4: case 0xB5: case 0xB6: case 0xB7: case 0xB8: case 0xB9: case 0xBA: case 0xBB: case 0xBC: case 0xBD: case 0xBE: case 0xBF: { return get_string(input_format_t::msgpack, static_cast(current) & 0x1Fu, result); } case 0xD9: // str 8 { std::uint8_t len{}; return get_number(input_format_t::msgpack, len) && get_string(input_format_t::msgpack, len, result); } case 0xDA: // str 16 { std::uint16_t len{}; return get_number(input_format_t::msgpack, len) && get_string(input_format_t::msgpack, len, result); } case 0xDB: // str 32 { std::uint32_t len{}; return get_number(input_format_t::msgpack, len) && get_string(input_format_t::msgpack, len, result); } default: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, exception_message(input_format_t::msgpack, concat("expected length specification (0xA0-0xBF, 0xD9-0xDB); last byte: 0x", last_token), "string"), nullptr)); } } } /*! @brief reads a MessagePack byte array This function first reads starting bytes to determine the expected byte array length and then copies this number of bytes into a byte array. @param[out] result created byte array @return whether byte array creation completed */ bool get_msgpack_binary(binary_t& result) { // helper function to set the subtype auto assign_and_return_true = [&result](std::int8_t subtype) { result.set_subtype(static_cast(subtype)); return true; }; switch (current) { case 0xC4: // bin 8 { std::uint8_t len{}; return get_number(input_format_t::msgpack, len) && get_binary(input_format_t::msgpack, len, result); } case 0xC5: // bin 16 { std::uint16_t len{}; return get_number(input_format_t::msgpack, len) && get_binary(input_format_t::msgpack, len, result); } case 0xC6: // bin 32 { std::uint32_t len{}; return get_number(input_format_t::msgpack, len) && get_binary(input_format_t::msgpack, len, result); } case 0xC7: // ext 8 { std::uint8_t len{}; std::int8_t subtype{}; return get_number(input_format_t::msgpack, len) && get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, len, result) && assign_and_return_true(subtype); } case 0xC8: // ext 16 { std::uint16_t len{}; std::int8_t subtype{}; return get_number(input_format_t::msgpack, len) && get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, len, result) && assign_and_return_true(subtype); } case 0xC9: // ext 32 { std::uint32_t len{}; std::int8_t subtype{}; return get_number(input_format_t::msgpack, len) && get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, len, result) && assign_and_return_true(subtype); } case 0xD4: // fixext 1 { std::int8_t subtype{}; return get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, 1, result) && assign_and_return_true(subtype); } case 0xD5: // fixext 2 { std::int8_t subtype{}; return get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, 2, result) && assign_and_return_true(subtype); } case 0xD6: // fixext 4 { std::int8_t subtype{}; return get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, 4, result) && assign_and_return_true(subtype); } case 0xD7: // fixext 8 { std::int8_t subtype{}; return get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, 8, result) && assign_and_return_true(subtype); } case 0xD8: // fixext 16 { std::int8_t subtype{}; return get_number(input_format_t::msgpack, subtype) && get_binary(input_format_t::msgpack, 16, result) && assign_and_return_true(subtype); } default: // LCOV_EXCL_LINE return false; // LCOV_EXCL_LINE } } /*! @param[in] len the length of the array @return whether array creation completed */ bool get_msgpack_array(const std::size_t len) { if (JSON_HEDLEY_UNLIKELY(!sax->start_array(len))) { return false; } for (std::size_t i = 0; i < len; ++i) { if (JSON_HEDLEY_UNLIKELY(!parse_msgpack_internal())) { return false; } } return sax->end_array(); } /*! @param[in] len the length of the object @return whether object creation completed */ bool get_msgpack_object(const std::size_t len) { if (JSON_HEDLEY_UNLIKELY(!sax->start_object(len))) { return false; } string_t key; for (std::size_t i = 0; i < len; ++i) { get(); if (JSON_HEDLEY_UNLIKELY(!get_msgpack_string(key) || !sax->key(key))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_msgpack_internal())) { return false; } key.clear(); } return sax->end_object(); } //////////// // UBJSON // //////////// /*! @param[in] get_char whether a new character should be retrieved from the input (true, default) or whether the last read character should be considered instead @return whether a valid UBJSON value was passed to the SAX parser */ bool parse_ubjson_internal(const bool get_char = true) { return get_ubjson_value(get_char ? get_ignore_noop() : current); } /*! @brief reads a UBJSON string This function is either called after reading the 'S' byte explicitly indicating a string, or in case of an object key where the 'S' byte can be left out. @param[out] result created string @param[in] get_char whether a new character should be retrieved from the input (true, default) or whether the last read character should be considered instead @return whether string creation completed */ bool get_ubjson_string(string_t& result, const bool get_char = true) { if (get_char) { get(); // TODO(niels): may we ignore N here? } if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "value"))) { return false; } switch (current) { case 'U': { std::uint8_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'i': { std::int8_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'I': { std::int16_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'l': { std::int32_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'L': { std::int64_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'u': { if (input_format != input_format_t::bjdata) { break; } std::uint16_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'm': { if (input_format != input_format_t::bjdata) { break; } std::uint32_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } case 'M': { if (input_format != input_format_t::bjdata) { break; } std::uint64_t len{}; return get_number(input_format, len) && get_string(input_format, len, result); } default: break; } auto last_token = get_token_string(); std::string message; if (input_format != input_format_t::bjdata) { message = "expected length type specification (U, i, I, l, L); last byte: 0x" + last_token; } else { message = "expected length type specification (U, i, u, I, m, l, M, L); last byte: 0x" + last_token; } return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, exception_message(input_format, message, "string"), nullptr)); } /*! @param[out] dim an integer vector storing the ND array dimensions @return whether reading ND array size vector is successful */ bool get_ubjson_ndarray_size(std::vector& dim) { std::pair size_and_type; size_t dimlen = 0; bool no_ndarray = true; if (JSON_HEDLEY_UNLIKELY(!get_ubjson_size_type(size_and_type, no_ndarray))) { return false; } if (size_and_type.first != npos) { if (size_and_type.second != 0) { if (size_and_type.second != 'N') { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_size_value(dimlen, no_ndarray, size_and_type.second))) { return false; } dim.push_back(dimlen); } } } else { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_size_value(dimlen, no_ndarray))) { return false; } dim.push_back(dimlen); } } } else { while (current != ']') { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_size_value(dimlen, no_ndarray, current))) { return false; } dim.push_back(dimlen); get_ignore_noop(); } } return true; } /*! @param[out] result determined size @param[in,out] is_ndarray for input, `true` means already inside an ndarray vector or ndarray dimension is not allowed; `false` means ndarray is allowed; for output, `true` means an ndarray is found; is_ndarray can only return `true` when its initial value is `false` @param[in] prefix type marker if already read, otherwise set to 0 @return whether size determination completed */ bool get_ubjson_size_value(std::size_t& result, bool& is_ndarray, char_int_type prefix = 0) { if (prefix == 0) { prefix = get_ignore_noop(); } switch (prefix) { case 'U': { std::uint8_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } result = static_cast(number); return true; } case 'i': { std::int8_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } if (number < 0) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(113, chars_read, exception_message(input_format, "count in an optimized container must be positive", "size"), nullptr)); } result = static_cast(number); // NOLINT(bugprone-signed-char-misuse,cert-str34-c): number is not a char return true; } case 'I': { std::int16_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } if (number < 0) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(113, chars_read, exception_message(input_format, "count in an optimized container must be positive", "size"), nullptr)); } result = static_cast(number); return true; } case 'l': { std::int32_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } if (number < 0) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(113, chars_read, exception_message(input_format, "count in an optimized container must be positive", "size"), nullptr)); } result = static_cast(number); return true; } case 'L': { std::int64_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } if (number < 0) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(113, chars_read, exception_message(input_format, "count in an optimized container must be positive", "size"), nullptr)); } if (!value_in_range_of(number)) { return sax->parse_error(chars_read, get_token_string(), out_of_range::create(408, exception_message(input_format, "integer value overflow", "size"), nullptr)); } result = static_cast(number); return true; } case 'u': { if (input_format != input_format_t::bjdata) { break; } std::uint16_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } result = static_cast(number); return true; } case 'm': { if (input_format != input_format_t::bjdata) { break; } std::uint32_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } result = conditional_static_cast(number); return true; } case 'M': { if (input_format != input_format_t::bjdata) { break; } std::uint64_t number{}; if (JSON_HEDLEY_UNLIKELY(!get_number(input_format, number))) { return false; } if (!value_in_range_of(number)) { return sax->parse_error(chars_read, get_token_string(), out_of_range::create(408, exception_message(input_format, "integer value overflow", "size"), nullptr)); } result = detail::conditional_static_cast(number); return true; } case '[': { if (input_format != input_format_t::bjdata) { break; } if (is_ndarray) // ndarray dimensional vector can only contain integers, and can not embed another array { return sax->parse_error(chars_read, get_token_string(), parse_error::create(113, chars_read, exception_message(input_format, "ndarray dimensional vector is not allowed", "size"), nullptr)); } std::vector dim; if (JSON_HEDLEY_UNLIKELY(!get_ubjson_ndarray_size(dim))) { return false; } if (dim.size() == 1 || (dim.size() == 2 && dim.at(0) == 1)) // return normal array size if 1D row vector { result = dim.at(dim.size() - 1); return true; } if (!dim.empty()) // if ndarray, convert to an object in JData annotated array format { for (auto i : dim) // test if any dimension in an ndarray is 0, if so, return a 1D empty container { if ( i == 0 ) { result = 0; return true; } } string_t key = "_ArraySize_"; if (JSON_HEDLEY_UNLIKELY(!sax->start_object(3) || !sax->key(key) || !sax->start_array(dim.size()))) { return false; } result = 1; for (auto i : dim) { result *= i; if (result == 0 || result == npos) // because dim elements shall not have zeros, result = 0 means overflow happened; it also can't be npos as it is used to initialize size in get_ubjson_size_type() { return sax->parse_error(chars_read, get_token_string(), out_of_range::create(408, exception_message(input_format, "excessive ndarray size caused overflow", "size"), nullptr)); } if (JSON_HEDLEY_UNLIKELY(!sax->number_unsigned(static_cast(i)))) { return false; } } is_ndarray = true; return sax->end_array(); } result = 0; return true; } default: break; } auto last_token = get_token_string(); std::string message; if (input_format != input_format_t::bjdata) { message = "expected length type specification (U, i, I, l, L) after '#'; last byte: 0x" + last_token; } else { message = "expected length type specification (U, i, u, I, m, l, M, L) after '#'; last byte: 0x" + last_token; } return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, exception_message(input_format, message, "size"), nullptr)); } /*! @brief determine the type and size for a container In the optimized UBJSON format, a type and a size can be provided to allow for a more compact representation. @param[out] result pair of the size and the type @param[in] inside_ndarray whether the parser is parsing an ND array dimensional vector @return whether pair creation completed */ bool get_ubjson_size_type(std::pair& result, bool inside_ndarray = false) { result.first = npos; // size result.second = 0; // type bool is_ndarray = false; get_ignore_noop(); if (current == '$') { result.second = get(); // must not ignore 'N', because 'N' maybe the type if (input_format == input_format_t::bjdata && JSON_HEDLEY_UNLIKELY(std::binary_search(bjd_optimized_type_markers.begin(), bjd_optimized_type_markers.end(), result.second))) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format, concat("marker 0x", last_token, " is not a permitted optimized array type"), "type"), nullptr)); } if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "type"))) { return false; } get_ignore_noop(); if (JSON_HEDLEY_UNLIKELY(current != '#')) { if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "value"))) { return false; } auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format, concat("expected '#' after type information; last byte: 0x", last_token), "size"), nullptr)); } const bool is_error = get_ubjson_size_value(result.first, is_ndarray); if (input_format == input_format_t::bjdata && is_ndarray) { if (inside_ndarray) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(112, chars_read, exception_message(input_format, "ndarray can not be recursive", "size"), nullptr)); } result.second |= (1 << 8); // use bit 8 to indicate ndarray, all UBJSON and BJData markers should be ASCII letters } return is_error; } if (current == '#') { const bool is_error = get_ubjson_size_value(result.first, is_ndarray); if (input_format == input_format_t::bjdata && is_ndarray) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(112, chars_read, exception_message(input_format, "ndarray requires both type and size", "size"), nullptr)); } return is_error; } return true; } /*! @param prefix the previously read or set type prefix @return whether value creation completed */ bool get_ubjson_value(const char_int_type prefix) { switch (prefix) { case char_traits::eof(): // EOF return unexpect_eof(input_format, "value"); case 'T': // true return sax->boolean(true); case 'F': // false return sax->boolean(false); case 'Z': // null return sax->null(); case 'U': { std::uint8_t number{}; return get_number(input_format, number) && sax->number_unsigned(number); } case 'i': { std::int8_t number{}; return get_number(input_format, number) && sax->number_integer(number); } case 'I': { std::int16_t number{}; return get_number(input_format, number) && sax->number_integer(number); } case 'l': { std::int32_t number{}; return get_number(input_format, number) && sax->number_integer(number); } case 'L': { std::int64_t number{}; return get_number(input_format, number) && sax->number_integer(number); } case 'u': { if (input_format != input_format_t::bjdata) { break; } std::uint16_t number{}; return get_number(input_format, number) && sax->number_unsigned(number); } case 'm': { if (input_format != input_format_t::bjdata) { break; } std::uint32_t number{}; return get_number(input_format, number) && sax->number_unsigned(number); } case 'M': { if (input_format != input_format_t::bjdata) { break; } std::uint64_t number{}; return get_number(input_format, number) && sax->number_unsigned(number); } case 'h': { if (input_format != input_format_t::bjdata) { break; } const auto byte1_raw = get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "number"))) { return false; } const auto byte2_raw = get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "number"))) { return false; } const auto byte1 = static_cast(byte1_raw); const auto byte2 = static_cast(byte2_raw); // code from RFC 7049, Appendix D, Figure 3: // As half-precision floating-point numbers were only added // to IEEE 754 in 2008, today's programming platforms often // still only have limited support for them. It is very // easy to include at least decoding support for them even // without such support. An example of a small decoder for // half-precision floating-point numbers in the C language // is shown in Fig. 3. const auto half = static_cast((byte2 << 8u) + byte1); const double val = [&half] { const int exp = (half >> 10u) & 0x1Fu; const unsigned int mant = half & 0x3FFu; JSON_ASSERT(0 <= exp&& exp <= 32); JSON_ASSERT(mant <= 1024); switch (exp) { case 0: return std::ldexp(mant, -24); case 31: return (mant == 0) ? std::numeric_limits::infinity() : std::numeric_limits::quiet_NaN(); default: return std::ldexp(mant + 1024, exp - 25); } }(); return sax->number_float((half & 0x8000u) != 0 ? static_cast(-val) : static_cast(val), ""); } case 'd': { float number{}; return get_number(input_format, number) && sax->number_float(static_cast(number), ""); } case 'D': { double number{}; return get_number(input_format, number) && sax->number_float(static_cast(number), ""); } case 'H': { return get_ubjson_high_precision_number(); } case 'C': // char { get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "char"))) { return false; } if (JSON_HEDLEY_UNLIKELY(current > 127)) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, exception_message(input_format, concat("byte after 'C' must be in range 0x00..0x7F; last byte: 0x", last_token), "char"), nullptr)); } string_t s(1, static_cast(current)); return sax->string(s); } case 'S': // string { string_t s; return get_ubjson_string(s) && sax->string(s); } case '[': // array return get_ubjson_array(); case '{': // object return get_ubjson_object(); default: // anything else break; } auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format, "invalid byte: 0x" + last_token, "value"), nullptr)); } /*! @return whether array creation completed */ bool get_ubjson_array() { std::pair size_and_type; if (JSON_HEDLEY_UNLIKELY(!get_ubjson_size_type(size_and_type))) { return false; } // if bit-8 of size_and_type.second is set to 1, encode bjdata ndarray as an object in JData annotated array format (https://github.com/NeuroJSON/jdata): // {"_ArrayType_" : "typeid", "_ArraySize_" : [n1, n2, ...], "_ArrayData_" : [v1, v2, ...]} if (input_format == input_format_t::bjdata && size_and_type.first != npos && (size_and_type.second & (1 << 8)) != 0) { size_and_type.second &= ~(static_cast(1) << 8); // use bit 8 to indicate ndarray, here we remove the bit to restore the type marker auto it = std::lower_bound(bjd_types_map.begin(), bjd_types_map.end(), size_and_type.second, [](const bjd_type & p, char_int_type t) { return p.first < t; }); string_t key = "_ArrayType_"; if (JSON_HEDLEY_UNLIKELY(it == bjd_types_map.end() || it->first != size_and_type.second)) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format, "invalid byte: 0x" + last_token, "type"), nullptr)); } string_t type = it->second; // sax->string() takes a reference if (JSON_HEDLEY_UNLIKELY(!sax->key(key) || !sax->string(type))) { return false; } if (size_and_type.second == 'C') { size_and_type.second = 'U'; } key = "_ArrayData_"; if (JSON_HEDLEY_UNLIKELY(!sax->key(key) || !sax->start_array(size_and_type.first) )) { return false; } for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_value(size_and_type.second))) { return false; } } return (sax->end_array() && sax->end_object()); } if (size_and_type.first != npos) { if (JSON_HEDLEY_UNLIKELY(!sax->start_array(size_and_type.first))) { return false; } if (size_and_type.second != 0) { if (size_and_type.second != 'N') { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_value(size_and_type.second))) { return false; } } } } else { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!parse_ubjson_internal())) { return false; } } } } else { if (JSON_HEDLEY_UNLIKELY(!sax->start_array(static_cast(-1)))) { return false; } while (current != ']') { if (JSON_HEDLEY_UNLIKELY(!parse_ubjson_internal(false))) { return false; } get_ignore_noop(); } } return sax->end_array(); } /*! @return whether object creation completed */ bool get_ubjson_object() { std::pair size_and_type; if (JSON_HEDLEY_UNLIKELY(!get_ubjson_size_type(size_and_type))) { return false; } // do not accept ND-array size in objects in BJData if (input_format == input_format_t::bjdata && size_and_type.first != npos && (size_and_type.second & (1 << 8)) != 0) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, exception_message(input_format, "BJData object does not support ND-array size in optimized format", "object"), nullptr)); } string_t key; if (size_and_type.first != npos) { if (JSON_HEDLEY_UNLIKELY(!sax->start_object(size_and_type.first))) { return false; } if (size_and_type.second != 0) { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_string(key) || !sax->key(key))) { return false; } if (JSON_HEDLEY_UNLIKELY(!get_ubjson_value(size_and_type.second))) { return false; } key.clear(); } } else { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_string(key) || !sax->key(key))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_ubjson_internal())) { return false; } key.clear(); } } } else { if (JSON_HEDLEY_UNLIKELY(!sax->start_object(static_cast(-1)))) { return false; } while (current != '}') { if (JSON_HEDLEY_UNLIKELY(!get_ubjson_string(key, false) || !sax->key(key))) { return false; } if (JSON_HEDLEY_UNLIKELY(!parse_ubjson_internal())) { return false; } get_ignore_noop(); key.clear(); } } return sax->end_object(); } // Note, no reader for UBJSON binary types is implemented because they do // not exist bool get_ubjson_high_precision_number() { // get size of following number string std::size_t size{}; bool no_ndarray = true; auto res = get_ubjson_size_value(size, no_ndarray); if (JSON_HEDLEY_UNLIKELY(!res)) { return res; } // get number string std::vector number_vector; for (std::size_t i = 0; i < size; ++i) { get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(input_format, "number"))) { return false; } number_vector.push_back(static_cast(current)); } // parse number string using ia_type = decltype(detail::input_adapter(number_vector)); auto number_lexer = detail::lexer(detail::input_adapter(number_vector), false); const auto result_number = number_lexer.scan(); const auto number_string = number_lexer.get_token_string(); const auto result_remainder = number_lexer.scan(); using token_type = typename detail::lexer_base::token_type; if (JSON_HEDLEY_UNLIKELY(result_remainder != token_type::end_of_input)) { return sax->parse_error(chars_read, number_string, parse_error::create(115, chars_read, exception_message(input_format, concat("invalid number text: ", number_lexer.get_token_string()), "high-precision number"), nullptr)); } switch (result_number) { case token_type::value_integer: return sax->number_integer(number_lexer.get_number_integer()); case token_type::value_unsigned: return sax->number_unsigned(number_lexer.get_number_unsigned()); case token_type::value_float: return sax->number_float(number_lexer.get_number_float(), std::move(number_string)); case token_type::uninitialized: case token_type::literal_true: case token_type::literal_false: case token_type::literal_null: case token_type::value_string: case token_type::begin_array: case token_type::begin_object: case token_type::end_array: case token_type::end_object: case token_type::name_separator: case token_type::value_separator: case token_type::parse_error: case token_type::end_of_input: case token_type::literal_or_value: default: return sax->parse_error(chars_read, number_string, parse_error::create(115, chars_read, exception_message(input_format, concat("invalid number text: ", number_lexer.get_token_string()), "high-precision number"), nullptr)); } } /////////////////////// // Utility functions // /////////////////////// /*! @brief get next character from the input This function provides the interface to the used input adapter. It does not throw in case the input reached EOF, but returns a -'ve valued `char_traits::eof()` in that case. @return character read from the input */ char_int_type get() { ++chars_read; return current = ia.get_character(); } /*! @return character read from the input after ignoring all 'N' entries */ char_int_type get_ignore_noop() { do { get(); } while (current == 'N'); return current; } /* @brief read a number from the input @tparam NumberType the type of the number @param[in] format the current format (for diagnostics) @param[out] result number of type @a NumberType @return whether conversion completed @note This function needs to respect the system's endianness, because bytes in CBOR, MessagePack, and UBJSON are stored in network order (big endian) and therefore need reordering on little endian systems. On the other hand, BSON and BJData use little endian and should reorder on big endian systems. */ template bool get_number(const input_format_t format, NumberType& result) { // step 1: read input into array with system's byte order std::array vec{}; for (std::size_t i = 0; i < sizeof(NumberType); ++i) { get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(format, "number"))) { return false; } // reverse byte order prior to conversion if necessary if (is_little_endian != (InputIsLittleEndian || format == input_format_t::bjdata)) { vec[sizeof(NumberType) - i - 1] = static_cast(current); } else { vec[i] = static_cast(current); // LCOV_EXCL_LINE } } // step 2: convert array into number of type T and return std::memcpy(&result, vec.data(), sizeof(NumberType)); return true; } /*! @brief create a string by reading characters from the input @tparam NumberType the type of the number @param[in] format the current format (for diagnostics) @param[in] len number of characters to read @param[out] result string created by reading @a len bytes @return whether string creation completed @note We can not reserve @a len bytes for the result, because @a len may be too large. Usually, @ref unexpect_eof() detects the end of the input before we run out of string memory. */ template bool get_string(const input_format_t format, const NumberType len, string_t& result) { bool success = true; for (NumberType i = 0; i < len; i++) { get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(format, "string"))) { success = false; break; } result.push_back(static_cast(current)); } return success; } /*! @brief create a byte array by reading bytes from the input @tparam NumberType the type of the number @param[in] format the current format (for diagnostics) @param[in] len number of bytes to read @param[out] result byte array created by reading @a len bytes @return whether byte array creation completed @note We can not reserve @a len bytes for the result, because @a len may be too large. Usually, @ref unexpect_eof() detects the end of the input before we run out of memory. */ template bool get_binary(const input_format_t format, const NumberType len, binary_t& result) { bool success = true; for (NumberType i = 0; i < len; i++) { get(); if (JSON_HEDLEY_UNLIKELY(!unexpect_eof(format, "binary"))) { success = false; break; } result.push_back(static_cast(current)); } return success; } /*! @param[in] format the current format (for diagnostics) @param[in] context further context information (for diagnostics) @return whether the last read character is not EOF */ JSON_HEDLEY_NON_NULL(3) bool unexpect_eof(const input_format_t format, const char* context) const { if (JSON_HEDLEY_UNLIKELY(current == char_traits::eof())) { return sax->parse_error(chars_read, "", parse_error::create(110, chars_read, exception_message(format, "unexpected end of input", context), nullptr)); } return true; } /*! @return a string representation of the last read byte */ std::string get_token_string() const { std::array cr{{}}; static_cast((std::snprintf)(cr.data(), cr.size(), "%.2hhX", static_cast(current))); // NOLINT(cppcoreguidelines-pro-type-vararg,hicpp-vararg) return std::string{cr.data()}; } /*! @param[in] format the current format @param[in] detail a detailed error message @param[in] context further context information @return a message string to use in the parse_error exceptions */ std::string exception_message(const input_format_t format, const std::string& detail, const std::string& context) const { std::string error_msg = "syntax error while parsing "; switch (format) { case input_format_t::cbor: error_msg += "CBOR"; break; case input_format_t::msgpack: error_msg += "MessagePack"; break; case input_format_t::ubjson: error_msg += "UBJSON"; break; case input_format_t::bson: error_msg += "BSON"; break; case input_format_t::bjdata: error_msg += "BJData"; break; case input_format_t::json: // LCOV_EXCL_LINE default: // LCOV_EXCL_LINE JSON_ASSERT(false); // NOLINT(cert-dcl03-c,hicpp-static-assert,misc-static-assert) LCOV_EXCL_LINE } return concat(error_msg, ' ', context, ": ", detail); } private: static JSON_INLINE_VARIABLE constexpr std::size_t npos = static_cast(-1); /// input adapter InputAdapterType ia; /// the current character char_int_type current = char_traits::eof(); /// the number of characters read std::size_t chars_read = 0; /// whether we can assume little endianness const bool is_little_endian = little_endianness(); /// input format const input_format_t input_format = input_format_t::json; /// the SAX parser json_sax_t* sax = nullptr; // excluded markers in bjdata optimized type #define JSON_BINARY_READER_MAKE_BJD_OPTIMIZED_TYPE_MARKERS_ \ make_array('F', 'H', 'N', 'S', 'T', 'Z', '[', '{') #define JSON_BINARY_READER_MAKE_BJD_TYPES_MAP_ \ make_array( \ bjd_type{'C', "char"}, \ bjd_type{'D', "double"}, \ bjd_type{'I', "int16"}, \ bjd_type{'L', "int64"}, \ bjd_type{'M', "uint64"}, \ bjd_type{'U', "uint8"}, \ bjd_type{'d', "single"}, \ bjd_type{'i', "int8"}, \ bjd_type{'l', "int32"}, \ bjd_type{'m', "uint32"}, \ bjd_type{'u', "uint16"}) JSON_PRIVATE_UNLESS_TESTED: // lookup tables // NOLINTNEXTLINE(cppcoreguidelines-non-private-member-variables-in-classes) const decltype(JSON_BINARY_READER_MAKE_BJD_OPTIMIZED_TYPE_MARKERS_) bjd_optimized_type_markers = JSON_BINARY_READER_MAKE_BJD_OPTIMIZED_TYPE_MARKERS_; using bjd_type = std::pair; // NOLINTNEXTLINE(cppcoreguidelines-non-private-member-variables-in-classes) const decltype(JSON_BINARY_READER_MAKE_BJD_TYPES_MAP_) bjd_types_map = JSON_BINARY_READER_MAKE_BJD_TYPES_MAP_; #undef JSON_BINARY_READER_MAKE_BJD_OPTIMIZED_TYPE_MARKERS_ #undef JSON_BINARY_READER_MAKE_BJD_TYPES_MAP_ }; #ifndef JSON_HAS_CPP_17 template constexpr std::size_t binary_reader::npos; #endif } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/input_adapters.hpp000066400000000000000000000417721516317240700316450ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // array #include // size_t #include // strlen #include // begin, end, iterator_traits, random_access_iterator_tag, distance, next #include // shared_ptr, make_shared, addressof #include // accumulate #include // string, char_traits #include // enable_if, is_base_of, is_pointer, is_integral, remove_pointer #include // pair, declval #ifndef JSON_NO_IO #include // FILE * #include // istream #endif // JSON_NO_IO #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /// the supported input formats enum class input_format_t { json, cbor, msgpack, ubjson, bson, bjdata }; //////////////////// // input adapters // //////////////////// #ifndef JSON_NO_IO /*! Input adapter for stdio file access. This adapter read only 1 byte and do not use any buffer. This adapter is a very low level adapter. */ class file_input_adapter { public: using char_type = char; JSON_HEDLEY_NON_NULL(2) explicit file_input_adapter(std::FILE* f) noexcept : m_file(f) { JSON_ASSERT(m_file != nullptr); } // make class move-only file_input_adapter(const file_input_adapter&) = delete; file_input_adapter(file_input_adapter&&) noexcept = default; file_input_adapter& operator=(const file_input_adapter&) = delete; file_input_adapter& operator=(file_input_adapter&&) = delete; ~file_input_adapter() = default; std::char_traits::int_type get_character() noexcept { return std::fgetc(m_file); } private: /// the file pointer to read from std::FILE* m_file; }; /*! Input adapter for a (caching) istream. Ignores a UFT Byte Order Mark at beginning of input. Does not support changing the underlying std::streambuf in mid-input. Maintains underlying std::istream and std::streambuf to support subsequent use of standard std::istream operations to process any input characters following those used in parsing the JSON input. Clears the std::istream flags; any input errors (e.g., EOF) will be detected by the first subsequent call for input from the std::istream. */ class input_stream_adapter { public: using char_type = char; ~input_stream_adapter() { // clear stream flags; we use underlying streambuf I/O, do not // maintain ifstream flags, except eof if (is != nullptr) { is->clear(is->rdstate() & std::ios::eofbit); } } explicit input_stream_adapter(std::istream& i) : is(&i), sb(i.rdbuf()) {} // delete because of pointer members input_stream_adapter(const input_stream_adapter&) = delete; input_stream_adapter& operator=(input_stream_adapter&) = delete; input_stream_adapter& operator=(input_stream_adapter&&) = delete; input_stream_adapter(input_stream_adapter&& rhs) noexcept : is(rhs.is), sb(rhs.sb) { rhs.is = nullptr; rhs.sb = nullptr; } // std::istream/std::streambuf use std::char_traits::to_int_type, to // ensure that std::char_traits::eof() and the character 0xFF do not // end up as the same value, e.g. 0xFFFFFFFF. std::char_traits::int_type get_character() { auto res = sb->sbumpc(); // set eof manually, as we don't use the istream interface. if (JSON_HEDLEY_UNLIKELY(res == std::char_traits::eof())) { is->clear(is->rdstate() | std::ios::eofbit); } return res; } private: /// the associated input stream std::istream* is = nullptr; std::streambuf* sb = nullptr; }; #endif // JSON_NO_IO // General-purpose iterator-based adapter. It might not be as fast as // theoretically possible for some containers, but it is extremely versatile. template class iterator_input_adapter { public: using char_type = typename std::iterator_traits::value_type; iterator_input_adapter(IteratorType first, IteratorType last) : current(std::move(first)), end(std::move(last)) {} typename char_traits::int_type get_character() { if (JSON_HEDLEY_LIKELY(current != end)) { auto result = char_traits::to_int_type(*current); std::advance(current, 1); return result; } return char_traits::eof(); } private: IteratorType current; IteratorType end; template friend struct wide_string_input_helper; bool empty() const { return current == end; } }; template struct wide_string_input_helper; template struct wide_string_input_helper { // UTF-32 static void fill_buffer(BaseInputAdapter& input, std::array::int_type, 4>& utf8_bytes, size_t& utf8_bytes_index, size_t& utf8_bytes_filled) { utf8_bytes_index = 0; if (JSON_HEDLEY_UNLIKELY(input.empty())) { utf8_bytes[0] = std::char_traits::eof(); utf8_bytes_filled = 1; } else { // get the current character const auto wc = input.get_character(); // UTF-32 to UTF-8 encoding if (wc < 0x80) { utf8_bytes[0] = static_cast::int_type>(wc); utf8_bytes_filled = 1; } else if (wc <= 0x7FF) { utf8_bytes[0] = static_cast::int_type>(0xC0u | ((static_cast(wc) >> 6u) & 0x1Fu)); utf8_bytes[1] = static_cast::int_type>(0x80u | (static_cast(wc) & 0x3Fu)); utf8_bytes_filled = 2; } else if (wc <= 0xFFFF) { utf8_bytes[0] = static_cast::int_type>(0xE0u | ((static_cast(wc) >> 12u) & 0x0Fu)); utf8_bytes[1] = static_cast::int_type>(0x80u | ((static_cast(wc) >> 6u) & 0x3Fu)); utf8_bytes[2] = static_cast::int_type>(0x80u | (static_cast(wc) & 0x3Fu)); utf8_bytes_filled = 3; } else if (wc <= 0x10FFFF) { utf8_bytes[0] = static_cast::int_type>(0xF0u | ((static_cast(wc) >> 18u) & 0x07u)); utf8_bytes[1] = static_cast::int_type>(0x80u | ((static_cast(wc) >> 12u) & 0x3Fu)); utf8_bytes[2] = static_cast::int_type>(0x80u | ((static_cast(wc) >> 6u) & 0x3Fu)); utf8_bytes[3] = static_cast::int_type>(0x80u | (static_cast(wc) & 0x3Fu)); utf8_bytes_filled = 4; } else { // unknown character utf8_bytes[0] = static_cast::int_type>(wc); utf8_bytes_filled = 1; } } } }; template struct wide_string_input_helper { // UTF-16 static void fill_buffer(BaseInputAdapter& input, std::array::int_type, 4>& utf8_bytes, size_t& utf8_bytes_index, size_t& utf8_bytes_filled) { utf8_bytes_index = 0; if (JSON_HEDLEY_UNLIKELY(input.empty())) { utf8_bytes[0] = std::char_traits::eof(); utf8_bytes_filled = 1; } else { // get the current character const auto wc = input.get_character(); // UTF-16 to UTF-8 encoding if (wc < 0x80) { utf8_bytes[0] = static_cast::int_type>(wc); utf8_bytes_filled = 1; } else if (wc <= 0x7FF) { utf8_bytes[0] = static_cast::int_type>(0xC0u | ((static_cast(wc) >> 6u))); utf8_bytes[1] = static_cast::int_type>(0x80u | (static_cast(wc) & 0x3Fu)); utf8_bytes_filled = 2; } else if (0xD800 > wc || wc >= 0xE000) { utf8_bytes[0] = static_cast::int_type>(0xE0u | ((static_cast(wc) >> 12u))); utf8_bytes[1] = static_cast::int_type>(0x80u | ((static_cast(wc) >> 6u) & 0x3Fu)); utf8_bytes[2] = static_cast::int_type>(0x80u | (static_cast(wc) & 0x3Fu)); utf8_bytes_filled = 3; } else { if (JSON_HEDLEY_UNLIKELY(!input.empty())) { const auto wc2 = static_cast(input.get_character()); const auto charcode = 0x10000u + (((static_cast(wc) & 0x3FFu) << 10u) | (wc2 & 0x3FFu)); utf8_bytes[0] = static_cast::int_type>(0xF0u | (charcode >> 18u)); utf8_bytes[1] = static_cast::int_type>(0x80u | ((charcode >> 12u) & 0x3Fu)); utf8_bytes[2] = static_cast::int_type>(0x80u | ((charcode >> 6u) & 0x3Fu)); utf8_bytes[3] = static_cast::int_type>(0x80u | (charcode & 0x3Fu)); utf8_bytes_filled = 4; } else { utf8_bytes[0] = static_cast::int_type>(wc); utf8_bytes_filled = 1; } } } } }; // Wraps another input adapter to convert wide character types into individual bytes. template class wide_string_input_adapter { public: using char_type = char; wide_string_input_adapter(BaseInputAdapter base) : base_adapter(base) {} typename std::char_traits::int_type get_character() noexcept { // check if buffer needs to be filled if (utf8_bytes_index == utf8_bytes_filled) { fill_buffer(); JSON_ASSERT(utf8_bytes_filled > 0); JSON_ASSERT(utf8_bytes_index == 0); } // use buffer JSON_ASSERT(utf8_bytes_filled > 0); JSON_ASSERT(utf8_bytes_index < utf8_bytes_filled); return utf8_bytes[utf8_bytes_index++]; } private: BaseInputAdapter base_adapter; template void fill_buffer() { wide_string_input_helper::fill_buffer(base_adapter, utf8_bytes, utf8_bytes_index, utf8_bytes_filled); } /// a buffer for UTF-8 bytes std::array::int_type, 4> utf8_bytes = {{0, 0, 0, 0}}; /// index to the utf8_codes array for the next valid byte std::size_t utf8_bytes_index = 0; /// number of valid bytes in the utf8_codes array std::size_t utf8_bytes_filled = 0; }; template struct iterator_input_adapter_factory { using iterator_type = IteratorType; using char_type = typename std::iterator_traits::value_type; using adapter_type = iterator_input_adapter; static adapter_type create(IteratorType first, IteratorType last) { return adapter_type(std::move(first), std::move(last)); } }; template struct is_iterator_of_multibyte { using value_type = typename std::iterator_traits::value_type; enum { value = sizeof(value_type) > 1 }; }; template struct iterator_input_adapter_factory::value>> { using iterator_type = IteratorType; using char_type = typename std::iterator_traits::value_type; using base_adapter_type = iterator_input_adapter; using adapter_type = wide_string_input_adapter; static adapter_type create(IteratorType first, IteratorType last) { return adapter_type(base_adapter_type(std::move(first), std::move(last))); } }; // General purpose iterator-based input template typename iterator_input_adapter_factory::adapter_type input_adapter(IteratorType first, IteratorType last) { using factory_type = iterator_input_adapter_factory; return factory_type::create(first, last); } // Convenience shorthand from container to iterator // Enables ADL on begin(container) and end(container) // Encloses the using declarations in namespace for not to leak them to outside scope namespace container_input_adapter_factory_impl { using std::begin; using std::end; template struct container_input_adapter_factory {}; template struct container_input_adapter_factory< ContainerType, void_t()), end(std::declval()))>> { using adapter_type = decltype(input_adapter(begin(std::declval()), end(std::declval()))); static adapter_type create(const ContainerType& container) { return input_adapter(begin(container), end(container)); } }; } // namespace container_input_adapter_factory_impl template typename container_input_adapter_factory_impl::container_input_adapter_factory::adapter_type input_adapter(const ContainerType& container) { return container_input_adapter_factory_impl::container_input_adapter_factory::create(container); } #ifndef JSON_NO_IO // Special cases with fast paths inline file_input_adapter input_adapter(std::FILE* file) { return file_input_adapter(file); } inline input_stream_adapter input_adapter(std::istream& stream) { return input_stream_adapter(stream); } inline input_stream_adapter input_adapter(std::istream&& stream) { return input_stream_adapter(stream); } #endif // JSON_NO_IO using contiguous_bytes_input_adapter = decltype(input_adapter(std::declval(), std::declval())); // Null-delimited strings, and the like. template < typename CharT, typename std::enable_if < std::is_pointer::value&& !std::is_array::value&& std::is_integral::type>::value&& sizeof(typename std::remove_pointer::type) == 1, int >::type = 0 > contiguous_bytes_input_adapter input_adapter(CharT b) { auto length = std::strlen(reinterpret_cast(b)); const auto* ptr = reinterpret_cast(b); return input_adapter(ptr, ptr + length); } template auto input_adapter(T (&array)[N]) -> decltype(input_adapter(array, array + N)) // NOLINT(cppcoreguidelines-avoid-c-arrays,hicpp-avoid-c-arrays,modernize-avoid-c-arrays) { return input_adapter(array, array + N); } // This class only handles inputs of input_buffer_adapter type. // It's required so that expressions like {ptr, len} can be implicitly cast // to the correct adapter. class span_input_adapter { public: template < typename CharT, typename std::enable_if < std::is_pointer::value&& std::is_integral::type>::value&& sizeof(typename std::remove_pointer::type) == 1, int >::type = 0 > span_input_adapter(CharT b, std::size_t l) : ia(reinterpret_cast(b), reinterpret_cast(b) + l) {} template::iterator_category, std::random_access_iterator_tag>::value, int>::type = 0> span_input_adapter(IteratorType first, IteratorType last) : ia(input_adapter(first, last)) {} contiguous_bytes_input_adapter&& get() { return std::move(ia); // NOLINT(hicpp-move-const-arg,performance-move-const-arg) } private: contiguous_bytes_input_adapter ia; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/json_sax.hpp000066400000000000000000000516541516317240700304470ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include #include // string #include // move #include // vector #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN /*! @brief SAX interface This class describes the SAX interface used by @ref nlohmann::json::sax_parse. Each function is called in different situations while the input is parsed. The boolean return value informs the parser whether to continue processing the input. */ template struct json_sax { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; /*! @brief a null value was read @return whether parsing should proceed */ virtual bool null() = 0; /*! @brief a boolean value was read @param[in] val boolean value @return whether parsing should proceed */ virtual bool boolean(bool val) = 0; /*! @brief an integer number was read @param[in] val integer value @return whether parsing should proceed */ virtual bool number_integer(number_integer_t val) = 0; /*! @brief an unsigned integer number was read @param[in] val unsigned integer value @return whether parsing should proceed */ virtual bool number_unsigned(number_unsigned_t val) = 0; /*! @brief a floating-point number was read @param[in] val floating-point value @param[in] s raw token value @return whether parsing should proceed */ virtual bool number_float(number_float_t val, const string_t& s) = 0; /*! @brief a string value was read @param[in] val string value @return whether parsing should proceed @note It is safe to move the passed string value. */ virtual bool string(string_t& val) = 0; /*! @brief a binary value was read @param[in] val binary value @return whether parsing should proceed @note It is safe to move the passed binary value. */ virtual bool binary(binary_t& val) = 0; /*! @brief the beginning of an object was read @param[in] elements number of object elements or -1 if unknown @return whether parsing should proceed @note binary formats may report the number of elements */ virtual bool start_object(std::size_t elements) = 0; /*! @brief an object key was read @param[in] val object key @return whether parsing should proceed @note It is safe to move the passed string. */ virtual bool key(string_t& val) = 0; /*! @brief the end of an object was read @return whether parsing should proceed */ virtual bool end_object() = 0; /*! @brief the beginning of an array was read @param[in] elements number of array elements or -1 if unknown @return whether parsing should proceed @note binary formats may report the number of elements */ virtual bool start_array(std::size_t elements) = 0; /*! @brief the end of an array was read @return whether parsing should proceed */ virtual bool end_array() = 0; /*! @brief a parse error occurred @param[in] position the position in the input where the error occurs @param[in] last_token the last read token @param[in] ex an exception object describing the error @return whether parsing should proceed (must return false) */ virtual bool parse_error(std::size_t position, const std::string& last_token, const detail::exception& ex) = 0; json_sax() = default; json_sax(const json_sax&) = default; json_sax(json_sax&&) noexcept = default; json_sax& operator=(const json_sax&) = default; json_sax& operator=(json_sax&&) noexcept = default; virtual ~json_sax() = default; }; namespace detail { /*! @brief SAX implementation to create a JSON value from SAX events This class implements the @ref json_sax interface and processes the SAX events to create a JSON value which makes it basically a DOM parser. The structure or hierarchy of the JSON value is managed by the stack `ref_stack` which contains a pointer to the respective array or object for each recursion depth. After successful parsing, the value that is passed by reference to the constructor contains the parsed value. @tparam BasicJsonType the JSON type */ template class json_sax_dom_parser { public: using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; /*! @param[in,out] r reference to a JSON value that is manipulated while parsing @param[in] allow_exceptions_ whether parse errors yield exceptions */ explicit json_sax_dom_parser(BasicJsonType& r, const bool allow_exceptions_ = true) : root(r), allow_exceptions(allow_exceptions_) {} // make class move-only json_sax_dom_parser(const json_sax_dom_parser&) = delete; json_sax_dom_parser(json_sax_dom_parser&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) json_sax_dom_parser& operator=(const json_sax_dom_parser&) = delete; json_sax_dom_parser& operator=(json_sax_dom_parser&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) ~json_sax_dom_parser() = default; bool null() { handle_value(nullptr); return true; } bool boolean(bool val) { handle_value(val); return true; } bool number_integer(number_integer_t val) { handle_value(val); return true; } bool number_unsigned(number_unsigned_t val) { handle_value(val); return true; } bool number_float(number_float_t val, const string_t& /*unused*/) { handle_value(val); return true; } bool string(string_t& val) { handle_value(val); return true; } bool binary(binary_t& val) { handle_value(std::move(val)); return true; } bool start_object(std::size_t len) { ref_stack.push_back(handle_value(BasicJsonType::value_t::object)); if (JSON_HEDLEY_UNLIKELY(len != static_cast(-1) && len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, concat("excessive object size: ", std::to_string(len)), ref_stack.back())); } return true; } bool key(string_t& val) { JSON_ASSERT(!ref_stack.empty()); JSON_ASSERT(ref_stack.back()->is_object()); // add null at given key and store the reference for later object_element = &(ref_stack.back()->m_data.m_value.object->operator[](val)); return true; } bool end_object() { JSON_ASSERT(!ref_stack.empty()); JSON_ASSERT(ref_stack.back()->is_object()); ref_stack.back()->set_parents(); ref_stack.pop_back(); return true; } bool start_array(std::size_t len) { ref_stack.push_back(handle_value(BasicJsonType::value_t::array)); if (JSON_HEDLEY_UNLIKELY(len != static_cast(-1) && len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, concat("excessive array size: ", std::to_string(len)), ref_stack.back())); } return true; } bool end_array() { JSON_ASSERT(!ref_stack.empty()); JSON_ASSERT(ref_stack.back()->is_array()); ref_stack.back()->set_parents(); ref_stack.pop_back(); return true; } template bool parse_error(std::size_t /*unused*/, const std::string& /*unused*/, const Exception& ex) { errored = true; static_cast(ex); if (allow_exceptions) { JSON_THROW(ex); } return false; } constexpr bool is_errored() const { return errored; } private: /*! @invariant If the ref stack is empty, then the passed value will be the new root. @invariant If the ref stack contains a value, then it is an array or an object to which we can add elements */ template JSON_HEDLEY_RETURNS_NON_NULL BasicJsonType* handle_value(Value&& v) { if (ref_stack.empty()) { root = BasicJsonType(std::forward(v)); return &root; } JSON_ASSERT(ref_stack.back()->is_array() || ref_stack.back()->is_object()); if (ref_stack.back()->is_array()) { ref_stack.back()->m_data.m_value.array->emplace_back(std::forward(v)); return &(ref_stack.back()->m_data.m_value.array->back()); } JSON_ASSERT(ref_stack.back()->is_object()); JSON_ASSERT(object_element); *object_element = BasicJsonType(std::forward(v)); return object_element; } /// the parsed JSON value BasicJsonType& root; /// stack to model hierarchy of values std::vector ref_stack {}; /// helper to hold the reference for the next object element BasicJsonType* object_element = nullptr; /// whether a syntax error occurred bool errored = false; /// whether to throw exceptions in case of errors const bool allow_exceptions = true; }; template class json_sax_dom_callback_parser { public: using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; using parser_callback_t = typename BasicJsonType::parser_callback_t; using parse_event_t = typename BasicJsonType::parse_event_t; json_sax_dom_callback_parser(BasicJsonType& r, const parser_callback_t cb, const bool allow_exceptions_ = true) : root(r), callback(cb), allow_exceptions(allow_exceptions_) { keep_stack.push_back(true); } // make class move-only json_sax_dom_callback_parser(const json_sax_dom_callback_parser&) = delete; json_sax_dom_callback_parser(json_sax_dom_callback_parser&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) json_sax_dom_callback_parser& operator=(const json_sax_dom_callback_parser&) = delete; json_sax_dom_callback_parser& operator=(json_sax_dom_callback_parser&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) ~json_sax_dom_callback_parser() = default; bool null() { handle_value(nullptr); return true; } bool boolean(bool val) { handle_value(val); return true; } bool number_integer(number_integer_t val) { handle_value(val); return true; } bool number_unsigned(number_unsigned_t val) { handle_value(val); return true; } bool number_float(number_float_t val, const string_t& /*unused*/) { handle_value(val); return true; } bool string(string_t& val) { handle_value(val); return true; } bool binary(binary_t& val) { handle_value(std::move(val)); return true; } bool start_object(std::size_t len) { // check callback for object start const bool keep = callback(static_cast(ref_stack.size()), parse_event_t::object_start, discarded); keep_stack.push_back(keep); auto val = handle_value(BasicJsonType::value_t::object, true); ref_stack.push_back(val.second); // check object limit if (ref_stack.back() && JSON_HEDLEY_UNLIKELY(len != static_cast(-1) && len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, concat("excessive object size: ", std::to_string(len)), ref_stack.back())); } return true; } bool key(string_t& val) { BasicJsonType k = BasicJsonType(val); // check callback for key const bool keep = callback(static_cast(ref_stack.size()), parse_event_t::key, k); key_keep_stack.push_back(keep); // add discarded value at given key and store the reference for later if (keep && ref_stack.back()) { object_element = &(ref_stack.back()->m_data.m_value.object->operator[](val) = discarded); } return true; } bool end_object() { if (ref_stack.back()) { if (!callback(static_cast(ref_stack.size()) - 1, parse_event_t::object_end, *ref_stack.back())) { // discard object *ref_stack.back() = discarded; } else { ref_stack.back()->set_parents(); } } JSON_ASSERT(!ref_stack.empty()); JSON_ASSERT(!keep_stack.empty()); ref_stack.pop_back(); keep_stack.pop_back(); if (!ref_stack.empty() && ref_stack.back() && ref_stack.back()->is_structured()) { // remove discarded value for (auto it = ref_stack.back()->begin(); it != ref_stack.back()->end(); ++it) { if (it->is_discarded()) { ref_stack.back()->erase(it); break; } } } return true; } bool start_array(std::size_t len) { const bool keep = callback(static_cast(ref_stack.size()), parse_event_t::array_start, discarded); keep_stack.push_back(keep); auto val = handle_value(BasicJsonType::value_t::array, true); ref_stack.push_back(val.second); // check array limit if (ref_stack.back() && JSON_HEDLEY_UNLIKELY(len != static_cast(-1) && len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, concat("excessive array size: ", std::to_string(len)), ref_stack.back())); } return true; } bool end_array() { bool keep = true; if (ref_stack.back()) { keep = callback(static_cast(ref_stack.size()) - 1, parse_event_t::array_end, *ref_stack.back()); if (keep) { ref_stack.back()->set_parents(); } else { // discard array *ref_stack.back() = discarded; } } JSON_ASSERT(!ref_stack.empty()); JSON_ASSERT(!keep_stack.empty()); ref_stack.pop_back(); keep_stack.pop_back(); // remove discarded value if (!keep && !ref_stack.empty() && ref_stack.back()->is_array()) { ref_stack.back()->m_data.m_value.array->pop_back(); } return true; } template bool parse_error(std::size_t /*unused*/, const std::string& /*unused*/, const Exception& ex) { errored = true; static_cast(ex); if (allow_exceptions) { JSON_THROW(ex); } return false; } constexpr bool is_errored() const { return errored; } private: /*! @param[in] v value to add to the JSON value we build during parsing @param[in] skip_callback whether we should skip calling the callback function; this is required after start_array() and start_object() SAX events, because otherwise we would call the callback function with an empty array or object, respectively. @invariant If the ref stack is empty, then the passed value will be the new root. @invariant If the ref stack contains a value, then it is an array or an object to which we can add elements @return pair of boolean (whether value should be kept) and pointer (to the passed value in the ref_stack hierarchy; nullptr if not kept) */ template std::pair handle_value(Value&& v, const bool skip_callback = false) { JSON_ASSERT(!keep_stack.empty()); // do not handle this value if we know it would be added to a discarded // container if (!keep_stack.back()) { return {false, nullptr}; } // create value auto value = BasicJsonType(std::forward(v)); // check callback const bool keep = skip_callback || callback(static_cast(ref_stack.size()), parse_event_t::value, value); // do not handle this value if we just learnt it shall be discarded if (!keep) { return {false, nullptr}; } if (ref_stack.empty()) { root = std::move(value); return {true, & root}; } // skip this value if we already decided to skip the parent // (https://github.com/nlohmann/json/issues/971#issuecomment-413678360) if (!ref_stack.back()) { return {false, nullptr}; } // we now only expect arrays and objects JSON_ASSERT(ref_stack.back()->is_array() || ref_stack.back()->is_object()); // array if (ref_stack.back()->is_array()) { ref_stack.back()->m_data.m_value.array->emplace_back(std::move(value)); return {true, & (ref_stack.back()->m_data.m_value.array->back())}; } // object JSON_ASSERT(ref_stack.back()->is_object()); // check if we should store an element for the current key JSON_ASSERT(!key_keep_stack.empty()); const bool store_element = key_keep_stack.back(); key_keep_stack.pop_back(); if (!store_element) { return {false, nullptr}; } JSON_ASSERT(object_element); *object_element = std::move(value); return {true, object_element}; } /// the parsed JSON value BasicJsonType& root; /// stack to model hierarchy of values std::vector ref_stack {}; /// stack to manage which values to keep std::vector keep_stack {}; /// stack to manage which object keys to keep std::vector key_keep_stack {}; /// helper to hold the reference for the next object element BasicJsonType* object_element = nullptr; /// whether a syntax error occurred bool errored = false; /// callback function const parser_callback_t callback = nullptr; /// whether to throw exceptions in case of errors const bool allow_exceptions = true; /// a discarded value for the callback BasicJsonType discarded = BasicJsonType::value_t::discarded; }; template class json_sax_acceptor { public: using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; bool null() { return true; } bool boolean(bool /*unused*/) { return true; } bool number_integer(number_integer_t /*unused*/) { return true; } bool number_unsigned(number_unsigned_t /*unused*/) { return true; } bool number_float(number_float_t /*unused*/, const string_t& /*unused*/) { return true; } bool string(string_t& /*unused*/) { return true; } bool binary(binary_t& /*unused*/) { return true; } bool start_object(std::size_t /*unused*/ = static_cast(-1)) { return true; } bool key(string_t& /*unused*/) { return true; } bool end_object() { return true; } bool start_array(std::size_t /*unused*/ = static_cast(-1)) { return true; } bool end_array() { return true; } bool parse_error(std::size_t /*unused*/, const std::string& /*unused*/, const detail::exception& /*unused*/) { return false; } }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/lexer.hpp000066400000000000000000001524511516317240700277370ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // array #include // localeconv #include // size_t #include // snprintf #include // strtof, strtod, strtold, strtoll, strtoull #include // initializer_list #include // char_traits, string #include // move #include // vector #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /////////// // lexer // /////////// template class lexer_base { public: /// token types for the parser enum class token_type { uninitialized, ///< indicating the scanner is uninitialized literal_true, ///< the `true` literal literal_false, ///< the `false` literal literal_null, ///< the `null` literal value_string, ///< a string -- use get_string() for actual value value_unsigned, ///< an unsigned integer -- use get_number_unsigned() for actual value value_integer, ///< a signed integer -- use get_number_integer() for actual value value_float, ///< an floating point number -- use get_number_float() for actual value begin_array, ///< the character for array begin `[` begin_object, ///< the character for object begin `{` end_array, ///< the character for array end `]` end_object, ///< the character for object end `}` name_separator, ///< the name separator `:` value_separator, ///< the value separator `,` parse_error, ///< indicating a parse error end_of_input, ///< indicating the end of the input buffer literal_or_value ///< a literal or the begin of a value (only for diagnostics) }; /// return name of values of type token_type (only used for errors) JSON_HEDLEY_RETURNS_NON_NULL JSON_HEDLEY_CONST static const char* token_type_name(const token_type t) noexcept { switch (t) { case token_type::uninitialized: return ""; case token_type::literal_true: return "true literal"; case token_type::literal_false: return "false literal"; case token_type::literal_null: return "null literal"; case token_type::value_string: return "string literal"; case token_type::value_unsigned: case token_type::value_integer: case token_type::value_float: return "number literal"; case token_type::begin_array: return "'['"; case token_type::begin_object: return "'{'"; case token_type::end_array: return "']'"; case token_type::end_object: return "'}'"; case token_type::name_separator: return "':'"; case token_type::value_separator: return "','"; case token_type::parse_error: return ""; case token_type::end_of_input: return "end of input"; case token_type::literal_or_value: return "'[', '{', or a literal"; // LCOV_EXCL_START default: // catch non-enum values return "unknown token"; // LCOV_EXCL_STOP } } }; /*! @brief lexical analysis This class organizes the lexical analysis during JSON deserialization. */ template class lexer : public lexer_base { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using char_type = typename InputAdapterType::char_type; using char_int_type = typename char_traits::int_type; public: using token_type = typename lexer_base::token_type; explicit lexer(InputAdapterType&& adapter, bool ignore_comments_ = false) noexcept : ia(std::move(adapter)) , ignore_comments(ignore_comments_) , decimal_point_char(static_cast(get_decimal_point())) {} // delete because of pointer members lexer(const lexer&) = delete; lexer(lexer&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) lexer& operator=(lexer&) = delete; lexer& operator=(lexer&&) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor) ~lexer() = default; private: ///////////////////// // locales ///////////////////// /// return the locale-dependent decimal point JSON_HEDLEY_PURE static char get_decimal_point() noexcept { const auto* loc = localeconv(); JSON_ASSERT(loc != nullptr); return (loc->decimal_point == nullptr) ? '.' : *(loc->decimal_point); } ///////////////////// // scan functions ///////////////////// /*! @brief get codepoint from 4 hex characters following `\u` For input "\u c1 c2 c3 c4" the codepoint is: (c1 * 0x1000) + (c2 * 0x0100) + (c3 * 0x0010) + c4 = (c1 << 12) + (c2 << 8) + (c3 << 4) + (c4 << 0) Furthermore, the possible characters '0'..'9', 'A'..'F', and 'a'..'f' must be converted to the integers 0x0..0x9, 0xA..0xF, 0xA..0xF, resp. The conversion is done by subtracting the offset (0x30, 0x37, and 0x57) between the ASCII value of the character and the desired integer value. @return codepoint (0x0000..0xFFFF) or -1 in case of an error (e.g. EOF or non-hex character) */ int get_codepoint() { // this function only makes sense after reading `\u` JSON_ASSERT(current == 'u'); int codepoint = 0; const auto factors = { 12u, 8u, 4u, 0u }; for (const auto factor : factors) { get(); if (current >= '0' && current <= '9') { codepoint += static_cast((static_cast(current) - 0x30u) << factor); } else if (current >= 'A' && current <= 'F') { codepoint += static_cast((static_cast(current) - 0x37u) << factor); } else if (current >= 'a' && current <= 'f') { codepoint += static_cast((static_cast(current) - 0x57u) << factor); } else { return -1; } } JSON_ASSERT(0x0000 <= codepoint && codepoint <= 0xFFFF); return codepoint; } /*! @brief check if the next byte(s) are inside a given range Adds the current byte and, for each passed range, reads a new byte and checks if it is inside the range. If a violation was detected, set up an error message and return false. Otherwise, return true. @param[in] ranges list of integers; interpreted as list of pairs of inclusive lower and upper bound, respectively @pre The passed list @a ranges must have 2, 4, or 6 elements; that is, 1, 2, or 3 pairs. This precondition is enforced by an assertion. @return true if and only if no range violation was detected */ bool next_byte_in_range(std::initializer_list ranges) { JSON_ASSERT(ranges.size() == 2 || ranges.size() == 4 || ranges.size() == 6); add(current); for (auto range = ranges.begin(); range != ranges.end(); ++range) { get(); if (JSON_HEDLEY_LIKELY(*range <= current && current <= *(++range))) // NOLINT(bugprone-inc-dec-in-conditions) { add(current); } else { error_message = "invalid string: ill-formed UTF-8 byte"; return false; } } return true; } /*! @brief scan a string literal This function scans a string according to Sect. 7 of RFC 8259. While scanning, bytes are escaped and copied into buffer token_buffer. Then the function returns successfully, token_buffer is *not* null-terminated (as it may contain \0 bytes), and token_buffer.size() is the number of bytes in the string. @return token_type::value_string if string could be successfully scanned, token_type::parse_error otherwise @note In case of errors, variable error_message contains a textual description. */ token_type scan_string() { // reset token_buffer (ignore opening quote) reset(); // we entered the function by reading an open quote JSON_ASSERT(current == '\"'); while (true) { // get next character switch (get()) { // end of file while parsing string case char_traits::eof(): { error_message = "invalid string: missing closing quote"; return token_type::parse_error; } // closing quote case '\"': { return token_type::value_string; } // escapes case '\\': { switch (get()) { // quotation mark case '\"': add('\"'); break; // reverse solidus case '\\': add('\\'); break; // solidus case '/': add('/'); break; // backspace case 'b': add('\b'); break; // form feed case 'f': add('\f'); break; // line feed case 'n': add('\n'); break; // carriage return case 'r': add('\r'); break; // tab case 't': add('\t'); break; // unicode escapes case 'u': { const int codepoint1 = get_codepoint(); int codepoint = codepoint1; // start with codepoint1 if (JSON_HEDLEY_UNLIKELY(codepoint1 == -1)) { error_message = "invalid string: '\\u' must be followed by 4 hex digits"; return token_type::parse_error; } // check if code point is a high surrogate if (0xD800 <= codepoint1 && codepoint1 <= 0xDBFF) { // expect next \uxxxx entry if (JSON_HEDLEY_LIKELY(get() == '\\' && get() == 'u')) { const int codepoint2 = get_codepoint(); if (JSON_HEDLEY_UNLIKELY(codepoint2 == -1)) { error_message = "invalid string: '\\u' must be followed by 4 hex digits"; return token_type::parse_error; } // check if codepoint2 is a low surrogate if (JSON_HEDLEY_LIKELY(0xDC00 <= codepoint2 && codepoint2 <= 0xDFFF)) { // overwrite codepoint codepoint = static_cast( // high surrogate occupies the most significant 22 bits (static_cast(codepoint1) << 10u) // low surrogate occupies the least significant 15 bits + static_cast(codepoint2) // there is still the 0xD800, 0xDC00 and 0x10000 noise // in the result, so we have to subtract with: // (0xD800 << 10) + DC00 - 0x10000 = 0x35FDC00 - 0x35FDC00u); } else { error_message = "invalid string: surrogate U+D800..U+DBFF must be followed by U+DC00..U+DFFF"; return token_type::parse_error; } } else { error_message = "invalid string: surrogate U+D800..U+DBFF must be followed by U+DC00..U+DFFF"; return token_type::parse_error; } } else { if (JSON_HEDLEY_UNLIKELY(0xDC00 <= codepoint1 && codepoint1 <= 0xDFFF)) { error_message = "invalid string: surrogate U+DC00..U+DFFF must follow U+D800..U+DBFF"; return token_type::parse_error; } } // result of the above calculation yields a proper codepoint JSON_ASSERT(0x00 <= codepoint && codepoint <= 0x10FFFF); // translate codepoint into bytes if (codepoint < 0x80) { // 1-byte characters: 0xxxxxxx (ASCII) add(static_cast(codepoint)); } else if (codepoint <= 0x7FF) { // 2-byte characters: 110xxxxx 10xxxxxx add(static_cast(0xC0u | (static_cast(codepoint) >> 6u))); add(static_cast(0x80u | (static_cast(codepoint) & 0x3Fu))); } else if (codepoint <= 0xFFFF) { // 3-byte characters: 1110xxxx 10xxxxxx 10xxxxxx add(static_cast(0xE0u | (static_cast(codepoint) >> 12u))); add(static_cast(0x80u | ((static_cast(codepoint) >> 6u) & 0x3Fu))); add(static_cast(0x80u | (static_cast(codepoint) & 0x3Fu))); } else { // 4-byte characters: 11110xxx 10xxxxxx 10xxxxxx 10xxxxxx add(static_cast(0xF0u | (static_cast(codepoint) >> 18u))); add(static_cast(0x80u | ((static_cast(codepoint) >> 12u) & 0x3Fu))); add(static_cast(0x80u | ((static_cast(codepoint) >> 6u) & 0x3Fu))); add(static_cast(0x80u | (static_cast(codepoint) & 0x3Fu))); } break; } // other characters after escape default: error_message = "invalid string: forbidden character after backslash"; return token_type::parse_error; } break; } // invalid control characters case 0x00: { error_message = "invalid string: control character U+0000 (NUL) must be escaped to \\u0000"; return token_type::parse_error; } case 0x01: { error_message = "invalid string: control character U+0001 (SOH) must be escaped to \\u0001"; return token_type::parse_error; } case 0x02: { error_message = "invalid string: control character U+0002 (STX) must be escaped to \\u0002"; return token_type::parse_error; } case 0x03: { error_message = "invalid string: control character U+0003 (ETX) must be escaped to \\u0003"; return token_type::parse_error; } case 0x04: { error_message = "invalid string: control character U+0004 (EOT) must be escaped to \\u0004"; return token_type::parse_error; } case 0x05: { error_message = "invalid string: control character U+0005 (ENQ) must be escaped to \\u0005"; return token_type::parse_error; } case 0x06: { error_message = "invalid string: control character U+0006 (ACK) must be escaped to \\u0006"; return token_type::parse_error; } case 0x07: { error_message = "invalid string: control character U+0007 (BEL) must be escaped to \\u0007"; return token_type::parse_error; } case 0x08: { error_message = "invalid string: control character U+0008 (BS) must be escaped to \\u0008 or \\b"; return token_type::parse_error; } case 0x09: { error_message = "invalid string: control character U+0009 (HT) must be escaped to \\u0009 or \\t"; return token_type::parse_error; } case 0x0A: { error_message = "invalid string: control character U+000A (LF) must be escaped to \\u000A or \\n"; return token_type::parse_error; } case 0x0B: { error_message = "invalid string: control character U+000B (VT) must be escaped to \\u000B"; return token_type::parse_error; } case 0x0C: { error_message = "invalid string: control character U+000C (FF) must be escaped to \\u000C or \\f"; return token_type::parse_error; } case 0x0D: { error_message = "invalid string: control character U+000D (CR) must be escaped to \\u000D or \\r"; return token_type::parse_error; } case 0x0E: { error_message = "invalid string: control character U+000E (SO) must be escaped to \\u000E"; return token_type::parse_error; } case 0x0F: { error_message = "invalid string: control character U+000F (SI) must be escaped to \\u000F"; return token_type::parse_error; } case 0x10: { error_message = "invalid string: control character U+0010 (DLE) must be escaped to \\u0010"; return token_type::parse_error; } case 0x11: { error_message = "invalid string: control character U+0011 (DC1) must be escaped to \\u0011"; return token_type::parse_error; } case 0x12: { error_message = "invalid string: control character U+0012 (DC2) must be escaped to \\u0012"; return token_type::parse_error; } case 0x13: { error_message = "invalid string: control character U+0013 (DC3) must be escaped to \\u0013"; return token_type::parse_error; } case 0x14: { error_message = "invalid string: control character U+0014 (DC4) must be escaped to \\u0014"; return token_type::parse_error; } case 0x15: { error_message = "invalid string: control character U+0015 (NAK) must be escaped to \\u0015"; return token_type::parse_error; } case 0x16: { error_message = "invalid string: control character U+0016 (SYN) must be escaped to \\u0016"; return token_type::parse_error; } case 0x17: { error_message = "invalid string: control character U+0017 (ETB) must be escaped to \\u0017"; return token_type::parse_error; } case 0x18: { error_message = "invalid string: control character U+0018 (CAN) must be escaped to \\u0018"; return token_type::parse_error; } case 0x19: { error_message = "invalid string: control character U+0019 (EM) must be escaped to \\u0019"; return token_type::parse_error; } case 0x1A: { error_message = "invalid string: control character U+001A (SUB) must be escaped to \\u001A"; return token_type::parse_error; } case 0x1B: { error_message = "invalid string: control character U+001B (ESC) must be escaped to \\u001B"; return token_type::parse_error; } case 0x1C: { error_message = "invalid string: control character U+001C (FS) must be escaped to \\u001C"; return token_type::parse_error; } case 0x1D: { error_message = "invalid string: control character U+001D (GS) must be escaped to \\u001D"; return token_type::parse_error; } case 0x1E: { error_message = "invalid string: control character U+001E (RS) must be escaped to \\u001E"; return token_type::parse_error; } case 0x1F: { error_message = "invalid string: control character U+001F (US) must be escaped to \\u001F"; return token_type::parse_error; } // U+0020..U+007F (except U+0022 (quote) and U+005C (backspace)) case 0x20: case 0x21: case 0x23: case 0x24: case 0x25: case 0x26: case 0x27: case 0x28: case 0x29: case 0x2A: case 0x2B: case 0x2C: case 0x2D: case 0x2E: case 0x2F: case 0x30: case 0x31: case 0x32: case 0x33: case 0x34: case 0x35: case 0x36: case 0x37: case 0x38: case 0x39: case 0x3A: case 0x3B: case 0x3C: case 0x3D: case 0x3E: case 0x3F: case 0x40: case 0x41: case 0x42: case 0x43: case 0x44: case 0x45: case 0x46: case 0x47: case 0x48: case 0x49: case 0x4A: case 0x4B: case 0x4C: case 0x4D: case 0x4E: case 0x4F: case 0x50: case 0x51: case 0x52: case 0x53: case 0x54: case 0x55: case 0x56: case 0x57: case 0x58: case 0x59: case 0x5A: case 0x5B: case 0x5D: case 0x5E: case 0x5F: case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: case 0x78: case 0x79: case 0x7A: case 0x7B: case 0x7C: case 0x7D: case 0x7E: case 0x7F: { add(current); break; } // U+0080..U+07FF: bytes C2..DF 80..BF case 0xC2: case 0xC3: case 0xC4: case 0xC5: case 0xC6: case 0xC7: case 0xC8: case 0xC9: case 0xCA: case 0xCB: case 0xCC: case 0xCD: case 0xCE: case 0xCF: case 0xD0: case 0xD1: case 0xD2: case 0xD3: case 0xD4: case 0xD5: case 0xD6: case 0xD7: case 0xD8: case 0xD9: case 0xDA: case 0xDB: case 0xDC: case 0xDD: case 0xDE: case 0xDF: { if (JSON_HEDLEY_UNLIKELY(!next_byte_in_range({0x80, 0xBF}))) { return token_type::parse_error; } break; } // U+0800..U+0FFF: bytes E0 A0..BF 80..BF case 0xE0: { if (JSON_HEDLEY_UNLIKELY(!(next_byte_in_range({0xA0, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+1000..U+CFFF: bytes E1..EC 80..BF 80..BF // U+E000..U+FFFF: bytes EE..EF 80..BF 80..BF case 0xE1: case 0xE2: case 0xE3: case 0xE4: case 0xE5: case 0xE6: case 0xE7: case 0xE8: case 0xE9: case 0xEA: case 0xEB: case 0xEC: case 0xEE: case 0xEF: { if (JSON_HEDLEY_UNLIKELY(!(next_byte_in_range({0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+D000..U+D7FF: bytes ED 80..9F 80..BF case 0xED: { if (JSON_HEDLEY_UNLIKELY(!(next_byte_in_range({0x80, 0x9F, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+10000..U+3FFFF F0 90..BF 80..BF 80..BF case 0xF0: { if (JSON_HEDLEY_UNLIKELY(!(next_byte_in_range({0x90, 0xBF, 0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+40000..U+FFFFF F1..F3 80..BF 80..BF 80..BF case 0xF1: case 0xF2: case 0xF3: { if (JSON_HEDLEY_UNLIKELY(!(next_byte_in_range({0x80, 0xBF, 0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+100000..U+10FFFF F4 80..8F 80..BF 80..BF case 0xF4: { if (JSON_HEDLEY_UNLIKELY(!(next_byte_in_range({0x80, 0x8F, 0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // remaining bytes (80..C1 and F5..FF) are ill-formed default: { error_message = "invalid string: ill-formed UTF-8 byte"; return token_type::parse_error; } } } } /*! * @brief scan a comment * @return whether comment could be scanned successfully */ bool scan_comment() { switch (get()) { // single-line comments skip input until a newline or EOF is read case '/': { while (true) { switch (get()) { case '\n': case '\r': case char_traits::eof(): case '\0': return true; default: break; } } } // multi-line comments skip input until */ is read case '*': { while (true) { switch (get()) { case char_traits::eof(): case '\0': { error_message = "invalid comment; missing closing '*/'"; return false; } case '*': { switch (get()) { case '/': return true; default: { unget(); continue; } } } default: continue; } } } // unexpected character after reading '/' default: { error_message = "invalid comment; expecting '/' or '*' after '/'"; return false; } } } JSON_HEDLEY_NON_NULL(2) static void strtof(float& f, const char* str, char** endptr) noexcept { f = std::strtof(str, endptr); } JSON_HEDLEY_NON_NULL(2) static void strtof(double& f, const char* str, char** endptr) noexcept { f = std::strtod(str, endptr); } JSON_HEDLEY_NON_NULL(2) static void strtof(long double& f, const char* str, char** endptr) noexcept { f = std::strtold(str, endptr); } /*! @brief scan a number literal This function scans a string according to Sect. 6 of RFC 8259. The function is realized with a deterministic finite state machine derived from the grammar described in RFC 8259. Starting in state "init", the input is read and used to determined the next state. Only state "done" accepts the number. State "error" is a trap state to model errors. In the table below, "anything" means any character but the ones listed before. state | 0 | 1-9 | e E | + | - | . | anything ---------|----------|----------|----------|---------|---------|----------|----------- init | zero | any1 | [error] | [error] | minus | [error] | [error] minus | zero | any1 | [error] | [error] | [error] | [error] | [error] zero | done | done | exponent | done | done | decimal1 | done any1 | any1 | any1 | exponent | done | done | decimal1 | done decimal1 | decimal2 | decimal2 | [error] | [error] | [error] | [error] | [error] decimal2 | decimal2 | decimal2 | exponent | done | done | done | done exponent | any2 | any2 | [error] | sign | sign | [error] | [error] sign | any2 | any2 | [error] | [error] | [error] | [error] | [error] any2 | any2 | any2 | done | done | done | done | done The state machine is realized with one label per state (prefixed with "scan_number_") and `goto` statements between them. The state machine contains cycles, but any cycle can be left when EOF is read. Therefore, the function is guaranteed to terminate. During scanning, the read bytes are stored in token_buffer. This string is then converted to a signed integer, an unsigned integer, or a floating-point number. @return token_type::value_unsigned, token_type::value_integer, or token_type::value_float if number could be successfully scanned, token_type::parse_error otherwise @note The scanner is independent of the current locale. Internally, the locale's decimal point is used instead of `.` to work with the locale-dependent converters. */ token_type scan_number() // lgtm [cpp/use-of-goto] { // reset token_buffer to store the number's bytes reset(); // the type of the parsed number; initially set to unsigned; will be // changed if minus sign, decimal point or exponent is read token_type number_type = token_type::value_unsigned; // state (init): we just found out we need to scan a number switch (current) { case '-': { add(current); goto scan_number_minus; } case '0': { add(current); goto scan_number_zero; } case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any1; } // all other characters are rejected outside scan_number() default: // LCOV_EXCL_LINE JSON_ASSERT(false); // NOLINT(cert-dcl03-c,hicpp-static-assert,misc-static-assert) LCOV_EXCL_LINE } scan_number_minus: // state: we just parsed a leading minus sign number_type = token_type::value_integer; switch (get()) { case '0': { add(current); goto scan_number_zero; } case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any1; } default: { error_message = "invalid number; expected digit after '-'"; return token_type::parse_error; } } scan_number_zero: // state: we just parse a zero (maybe with a leading minus sign) switch (get()) { case '.': { add(decimal_point_char); goto scan_number_decimal1; } case 'e': case 'E': { add(current); goto scan_number_exponent; } default: goto scan_number_done; } scan_number_any1: // state: we just parsed a number 0-9 (maybe with a leading minus sign) switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any1; } case '.': { add(decimal_point_char); goto scan_number_decimal1; } case 'e': case 'E': { add(current); goto scan_number_exponent; } default: goto scan_number_done; } scan_number_decimal1: // state: we just parsed a decimal point number_type = token_type::value_float; switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_decimal2; } default: { error_message = "invalid number; expected digit after '.'"; return token_type::parse_error; } } scan_number_decimal2: // we just parsed at least one number after a decimal point switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_decimal2; } case 'e': case 'E': { add(current); goto scan_number_exponent; } default: goto scan_number_done; } scan_number_exponent: // we just parsed an exponent number_type = token_type::value_float; switch (get()) { case '+': case '-': { add(current); goto scan_number_sign; } case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any2; } default: { error_message = "invalid number; expected '+', '-', or digit after exponent"; return token_type::parse_error; } } scan_number_sign: // we just parsed an exponent sign switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any2; } default: { error_message = "invalid number; expected digit after exponent sign"; return token_type::parse_error; } } scan_number_any2: // we just parsed a number after the exponent or exponent sign switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any2; } default: goto scan_number_done; } scan_number_done: // unget the character after the number (we only read it to know that // we are done scanning a number) unget(); char* endptr = nullptr; // NOLINT(cppcoreguidelines-pro-type-vararg,hicpp-vararg) errno = 0; // try to parse integers first and fall back to floats if (number_type == token_type::value_unsigned) { const auto x = std::strtoull(token_buffer.data(), &endptr, 10); // we checked the number format before JSON_ASSERT(endptr == token_buffer.data() + token_buffer.size()); if (errno == 0) { value_unsigned = static_cast(x); if (value_unsigned == x) { return token_type::value_unsigned; } } } else if (number_type == token_type::value_integer) { const auto x = std::strtoll(token_buffer.data(), &endptr, 10); // we checked the number format before JSON_ASSERT(endptr == token_buffer.data() + token_buffer.size()); if (errno == 0) { value_integer = static_cast(x); if (value_integer == x) { return token_type::value_integer; } } } // this code is reached if we parse a floating-point number or if an // integer conversion above failed strtof(value_float, token_buffer.data(), &endptr); // we checked the number format before JSON_ASSERT(endptr == token_buffer.data() + token_buffer.size()); return token_type::value_float; } /*! @param[in] literal_text the literal text to expect @param[in] length the length of the passed literal text @param[in] return_type the token type to return on success */ JSON_HEDLEY_NON_NULL(2) token_type scan_literal(const char_type* literal_text, const std::size_t length, token_type return_type) { JSON_ASSERT(char_traits::to_char_type(current) == literal_text[0]); for (std::size_t i = 1; i < length; ++i) { if (JSON_HEDLEY_UNLIKELY(char_traits::to_char_type(get()) != literal_text[i])) { error_message = "invalid literal"; return token_type::parse_error; } } return return_type; } ///////////////////// // input management ///////////////////// /// reset token_buffer; current character is beginning of token void reset() noexcept { token_buffer.clear(); token_string.clear(); token_string.push_back(char_traits::to_char_type(current)); } /* @brief get next character from the input This function provides the interface to the used input adapter. It does not throw in case the input reached EOF, but returns a `char_traits::eof()` in that case. Stores the scanned characters for use in error messages. @return character read from the input */ char_int_type get() { ++position.chars_read_total; ++position.chars_read_current_line; if (next_unget) { // just reset the next_unget variable and work with current next_unget = false; } else { current = ia.get_character(); } if (JSON_HEDLEY_LIKELY(current != char_traits::eof())) { token_string.push_back(char_traits::to_char_type(current)); } if (current == '\n') { ++position.lines_read; position.chars_read_current_line = 0; } return current; } /*! @brief unget current character (read it again on next get) We implement unget by setting variable next_unget to true. The input is not changed - we just simulate ungetting by modifying chars_read_total, chars_read_current_line, and token_string. The next call to get() will behave as if the unget character is read again. */ void unget() { next_unget = true; --position.chars_read_total; // in case we "unget" a newline, we have to also decrement the lines_read if (position.chars_read_current_line == 0) { if (position.lines_read > 0) { --position.lines_read; } } else { --position.chars_read_current_line; } if (JSON_HEDLEY_LIKELY(current != char_traits::eof())) { JSON_ASSERT(!token_string.empty()); token_string.pop_back(); } } /// add a character to token_buffer void add(char_int_type c) { token_buffer.push_back(static_cast(c)); } public: ///////////////////// // value getters ///////////////////// /// return integer value constexpr number_integer_t get_number_integer() const noexcept { return value_integer; } /// return unsigned integer value constexpr number_unsigned_t get_number_unsigned() const noexcept { return value_unsigned; } /// return floating-point value constexpr number_float_t get_number_float() const noexcept { return value_float; } /// return current string value (implicitly resets the token; useful only once) string_t& get_string() { return token_buffer; } ///////////////////// // diagnostics ///////////////////// /// return position of last read token constexpr position_t get_position() const noexcept { return position; } /// return the last read token (for errors only). Will never contain EOF /// (an arbitrary value that is not a valid char value, often -1), because /// 255 may legitimately occur. May contain NUL, which should be escaped. std::string get_token_string() const { // escape control characters std::string result; for (const auto c : token_string) { if (static_cast(c) <= '\x1F') { // escape control characters std::array cs{{}}; static_cast((std::snprintf)(cs.data(), cs.size(), "", static_cast(c))); // NOLINT(cppcoreguidelines-pro-type-vararg,hicpp-vararg) result += cs.data(); } else { // add character as is result.push_back(static_cast(c)); } } return result; } /// return syntax error message JSON_HEDLEY_RETURNS_NON_NULL constexpr const char* get_error_message() const noexcept { return error_message; } ///////////////////// // actual scanner ///////////////////// /*! @brief skip the UTF-8 byte order mark @return true iff there is no BOM or the correct BOM has been skipped */ bool skip_bom() { if (get() == 0xEF) { // check if we completely parse the BOM return get() == 0xBB && get() == 0xBF; } // the first character is not the beginning of the BOM; unget it to // process is later unget(); return true; } void skip_whitespace() { do { get(); } while (current == ' ' || current == '\t' || current == '\n' || current == '\r'); } token_type scan() { // initially, skip the BOM if (position.chars_read_total == 0 && !skip_bom()) { error_message = "invalid BOM; must be 0xEF 0xBB 0xBF if given"; return token_type::parse_error; } // read next character and ignore whitespace skip_whitespace(); // ignore comments while (ignore_comments && current == '/') { if (!scan_comment()) { return token_type::parse_error; } // skip following whitespace skip_whitespace(); } switch (current) { // structural characters case '[': return token_type::begin_array; case ']': return token_type::end_array; case '{': return token_type::begin_object; case '}': return token_type::end_object; case ':': return token_type::name_separator; case ',': return token_type::value_separator; // literals case 't': { std::array true_literal = {{static_cast('t'), static_cast('r'), static_cast('u'), static_cast('e')}}; return scan_literal(true_literal.data(), true_literal.size(), token_type::literal_true); } case 'f': { std::array false_literal = {{static_cast('f'), static_cast('a'), static_cast('l'), static_cast('s'), static_cast('e')}}; return scan_literal(false_literal.data(), false_literal.size(), token_type::literal_false); } case 'n': { std::array null_literal = {{static_cast('n'), static_cast('u'), static_cast('l'), static_cast('l')}}; return scan_literal(null_literal.data(), null_literal.size(), token_type::literal_null); } // string case '\"': return scan_string(); // number case '-': case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': return scan_number(); // end of input (the null byte is needed when parsing from // string literals) case '\0': case char_traits::eof(): return token_type::end_of_input; // error default: error_message = "invalid literal"; return token_type::parse_error; } } private: /// input adapter InputAdapterType ia; /// whether comments should be ignored (true) or signaled as errors (false) const bool ignore_comments = false; /// the current character char_int_type current = char_traits::eof(); /// whether the next get() call should just return current bool next_unget = false; /// the start position of the current token position_t position {}; /// raw input token string (for error messages) std::vector token_string {}; /// buffer for variable-length tokens (numbers, strings) string_t token_buffer {}; /// a description of occurred lexer errors const char* error_message = ""; // number values number_integer_t value_integer = 0; number_unsigned_t value_unsigned = 0; number_float_t value_float = 0; /// the decimal point const char_int_type decimal_point_char = '.'; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/parser.hpp000066400000000000000000000463151516317240700301150ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // isfinite #include // uint8_t #include // function #include // string #include // move #include // vector #include #include #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { //////////// // parser // //////////// enum class parse_event_t : std::uint8_t { /// the parser read `{` and started to process a JSON object object_start, /// the parser read `}` and finished processing a JSON object object_end, /// the parser read `[` and started to process a JSON array array_start, /// the parser read `]` and finished processing a JSON array array_end, /// the parser read a key of a value in an object key, /// the parser finished reading a JSON value value }; template using parser_callback_t = std::function; /*! @brief syntax analysis This class implements a recursive descent parser. */ template class parser { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using lexer_t = lexer; using token_type = typename lexer_t::token_type; public: /// a parser reading from an input adapter explicit parser(InputAdapterType&& adapter, const parser_callback_t cb = nullptr, const bool allow_exceptions_ = true, const bool skip_comments = false) : callback(cb) , m_lexer(std::move(adapter), skip_comments) , allow_exceptions(allow_exceptions_) { // read first token get_token(); } /*! @brief public parser interface @param[in] strict whether to expect the last token to be EOF @param[in,out] result parsed JSON value @throw parse_error.101 in case of an unexpected token @throw parse_error.102 if to_unicode fails or surrogate error @throw parse_error.103 if to_unicode fails */ void parse(const bool strict, BasicJsonType& result) { if (callback) { json_sax_dom_callback_parser sdp(result, callback, allow_exceptions); sax_parse_internal(&sdp); // in strict mode, input must be completely read if (strict && (get_token() != token_type::end_of_input)) { sdp.parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_of_input, "value"), nullptr)); } // in case of an error, return discarded value if (sdp.is_errored()) { result = value_t::discarded; return; } // set top-level value to null if it was discarded by the callback // function if (result.is_discarded()) { result = nullptr; } } else { json_sax_dom_parser sdp(result, allow_exceptions); sax_parse_internal(&sdp); // in strict mode, input must be completely read if (strict && (get_token() != token_type::end_of_input)) { sdp.parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_of_input, "value"), nullptr)); } // in case of an error, return discarded value if (sdp.is_errored()) { result = value_t::discarded; return; } } result.assert_invariant(); } /*! @brief public accept interface @param[in] strict whether to expect the last token to be EOF @return whether the input is a proper JSON text */ bool accept(const bool strict = true) { json_sax_acceptor sax_acceptor; return sax_parse(&sax_acceptor, strict); } template JSON_HEDLEY_NON_NULL(2) bool sax_parse(SAX* sax, const bool strict = true) { (void)detail::is_sax_static_asserts {}; const bool result = sax_parse_internal(sax); // strict mode: next byte must be EOF if (result && strict && (get_token() != token_type::end_of_input)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_of_input, "value"), nullptr)); } return result; } private: template JSON_HEDLEY_NON_NULL(2) bool sax_parse_internal(SAX* sax) { // stack to remember the hierarchy of structured values we are parsing // true = array; false = object std::vector states; // value to avoid a goto (see comment where set to true) bool skip_to_state_evaluation = false; while (true) { if (!skip_to_state_evaluation) { // invariant: get_token() was called before each iteration switch (last_token) { case token_type::begin_object: { if (JSON_HEDLEY_UNLIKELY(!sax->start_object(static_cast(-1)))) { return false; } // closing } -> we are done if (get_token() == token_type::end_object) { if (JSON_HEDLEY_UNLIKELY(!sax->end_object())) { return false; } break; } // parse key if (JSON_HEDLEY_UNLIKELY(last_token != token_type::value_string)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::value_string, "object key"), nullptr)); } if (JSON_HEDLEY_UNLIKELY(!sax->key(m_lexer.get_string()))) { return false; } // parse separator (:) if (JSON_HEDLEY_UNLIKELY(get_token() != token_type::name_separator)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::name_separator, "object separator"), nullptr)); } // remember we are now inside an object states.push_back(false); // parse values get_token(); continue; } case token_type::begin_array: { if (JSON_HEDLEY_UNLIKELY(!sax->start_array(static_cast(-1)))) { return false; } // closing ] -> we are done if (get_token() == token_type::end_array) { if (JSON_HEDLEY_UNLIKELY(!sax->end_array())) { return false; } break; } // remember we are now inside an array states.push_back(true); // parse values (no need to call get_token) continue; } case token_type::value_float: { const auto res = m_lexer.get_number_float(); if (JSON_HEDLEY_UNLIKELY(!std::isfinite(res))) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), out_of_range::create(406, concat("number overflow parsing '", m_lexer.get_token_string(), '\''), nullptr)); } if (JSON_HEDLEY_UNLIKELY(!sax->number_float(res, m_lexer.get_string()))) { return false; } break; } case token_type::literal_false: { if (JSON_HEDLEY_UNLIKELY(!sax->boolean(false))) { return false; } break; } case token_type::literal_null: { if (JSON_HEDLEY_UNLIKELY(!sax->null())) { return false; } break; } case token_type::literal_true: { if (JSON_HEDLEY_UNLIKELY(!sax->boolean(true))) { return false; } break; } case token_type::value_integer: { if (JSON_HEDLEY_UNLIKELY(!sax->number_integer(m_lexer.get_number_integer()))) { return false; } break; } case token_type::value_string: { if (JSON_HEDLEY_UNLIKELY(!sax->string(m_lexer.get_string()))) { return false; } break; } case token_type::value_unsigned: { if (JSON_HEDLEY_UNLIKELY(!sax->number_unsigned(m_lexer.get_number_unsigned()))) { return false; } break; } case token_type::parse_error: { // using "uninitialized" to avoid "expected" message return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::uninitialized, "value"), nullptr)); } case token_type::end_of_input: { if (JSON_HEDLEY_UNLIKELY(m_lexer.get_position().chars_read_total == 1)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), "attempting to parse an empty input; check that your input string or stream contains the expected JSON", nullptr)); } return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::literal_or_value, "value"), nullptr)); } case token_type::uninitialized: case token_type::end_array: case token_type::end_object: case token_type::name_separator: case token_type::value_separator: case token_type::literal_or_value: default: // the last token was unexpected { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::literal_or_value, "value"), nullptr)); } } } else { skip_to_state_evaluation = false; } // we reached this line after we successfully parsed a value if (states.empty()) { // empty stack: we reached the end of the hierarchy: done return true; } if (states.back()) // array { // comma -> next value if (get_token() == token_type::value_separator) { // parse a new value get_token(); continue; } // closing ] if (JSON_HEDLEY_LIKELY(last_token == token_type::end_array)) { if (JSON_HEDLEY_UNLIKELY(!sax->end_array())) { return false; } // We are done with this array. Before we can parse a // new value, we need to evaluate the new state first. // By setting skip_to_state_evaluation to false, we // are effectively jumping to the beginning of this if. JSON_ASSERT(!states.empty()); states.pop_back(); skip_to_state_evaluation = true; continue; } return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_array, "array"), nullptr)); } // states.back() is false -> object // comma -> next value if (get_token() == token_type::value_separator) { // parse key if (JSON_HEDLEY_UNLIKELY(get_token() != token_type::value_string)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::value_string, "object key"), nullptr)); } if (JSON_HEDLEY_UNLIKELY(!sax->key(m_lexer.get_string()))) { return false; } // parse separator (:) if (JSON_HEDLEY_UNLIKELY(get_token() != token_type::name_separator)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::name_separator, "object separator"), nullptr)); } // parse values get_token(); continue; } // closing } if (JSON_HEDLEY_LIKELY(last_token == token_type::end_object)) { if (JSON_HEDLEY_UNLIKELY(!sax->end_object())) { return false; } // We are done with this object. Before we can parse a // new value, we need to evaluate the new state first. // By setting skip_to_state_evaluation to false, we // are effectively jumping to the beginning of this if. JSON_ASSERT(!states.empty()); states.pop_back(); skip_to_state_evaluation = true; continue; } return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_object, "object"), nullptr)); } } /// get next token from lexer token_type get_token() { return last_token = m_lexer.scan(); } std::string exception_message(const token_type expected, const std::string& context) { std::string error_msg = "syntax error "; if (!context.empty()) { error_msg += concat("while parsing ", context, ' '); } error_msg += "- "; if (last_token == token_type::parse_error) { error_msg += concat(m_lexer.get_error_message(), "; last read: '", m_lexer.get_token_string(), '\''); } else { error_msg += concat("unexpected ", lexer_t::token_type_name(last_token)); } if (expected != token_type::uninitialized) { error_msg += concat("; expected ", lexer_t::token_type_name(expected)); } return error_msg; } private: /// callback function const parser_callback_t callback = nullptr; /// the type of the last read token token_type last_token = token_type::uninitialized; /// the lexer lexer_t m_lexer; /// whether to throw exceptions in case of errors const bool allow_exceptions = true; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/input/position_t.hpp000066400000000000000000000016761516317240700310110ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // size_t #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /// struct to capture the start position of the current token struct position_t { /// the total number of characters read std::size_t chars_read_total = 0; /// the number of characters read in the current line std::size_t chars_read_current_line = 0; /// the number of lines read std::size_t lines_read = 0; /// conversion to size_t to preserve SAX interface constexpr operator size_t() const { return chars_read_total; } }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/000077500000000000000000000000001516317240700267545ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/internal_iterator.hpp000066400000000000000000000020571516317240700332160ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /*! @brief an iterator value @note This structure could easily be a union, but MSVC currently does not allow unions members with complex constructors, see https://github.com/nlohmann/json/pull/105. */ template struct internal_iterator { /// iterator for JSON objects typename BasicJsonType::object_t::iterator object_iterator {}; /// iterator for JSON arrays typename BasicJsonType::array_t::iterator array_iterator {}; /// generic iterator for all other types primitive_iterator_t primitive_iterator {}; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/iter_impl.hpp000066400000000000000000000567561516317240700314740ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // iterator, random_access_iterator_tag, bidirectional_iterator_tag, advance, next #include // conditional, is_const, remove_const #include #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { // forward declare, to be able to friend it later on template class iteration_proxy; template class iteration_proxy_value; /*! @brief a template for a bidirectional iterator for the @ref basic_json class This class implements a both iterators (iterator and const_iterator) for the @ref basic_json class. @note An iterator is called *initialized* when a pointer to a JSON value has been set (e.g., by a constructor or a copy assignment). If the iterator is default-constructed, it is *uninitialized* and most methods are undefined. **The library uses assertions to detect calls on uninitialized iterators.** @requirement The class satisfies the following concept requirements: - [BidirectionalIterator](https://en.cppreference.com/w/cpp/named_req/BidirectionalIterator): The iterator that can be moved can be moved in both directions (i.e. incremented and decremented). @since version 1.0.0, simplified in version 2.0.9, change to bidirectional iterators in version 3.0.0 (see https://github.com/nlohmann/json/issues/593) */ template class iter_impl // NOLINT(cppcoreguidelines-special-member-functions,hicpp-special-member-functions) { /// the iterator with BasicJsonType of different const-ness using other_iter_impl = iter_impl::value, typename std::remove_const::type, const BasicJsonType>::type>; /// allow basic_json to access private members friend other_iter_impl; friend BasicJsonType; friend iteration_proxy; friend iteration_proxy_value; using object_t = typename BasicJsonType::object_t; using array_t = typename BasicJsonType::array_t; // make sure BasicJsonType is basic_json or const basic_json static_assert(is_basic_json::type>::value, "iter_impl only accepts (const) basic_json"); // superficial check for the LegacyBidirectionalIterator named requirement static_assert(std::is_base_of::value && std::is_base_of::iterator_category>::value, "basic_json iterator assumes array and object type iterators satisfy the LegacyBidirectionalIterator named requirement."); public: /// The std::iterator class template (used as a base class to provide typedefs) is deprecated in C++17. /// The C++ Standard has never required user-defined iterators to derive from std::iterator. /// A user-defined iterator should provide publicly accessible typedefs named /// iterator_category, value_type, difference_type, pointer, and reference. /// Note that value_type is required to be non-const, even for constant iterators. using iterator_category = std::bidirectional_iterator_tag; /// the type of the values when the iterator is dereferenced using value_type = typename BasicJsonType::value_type; /// a type to represent differences between iterators using difference_type = typename BasicJsonType::difference_type; /// defines a pointer to the type iterated over (value_type) using pointer = typename std::conditional::value, typename BasicJsonType::const_pointer, typename BasicJsonType::pointer>::type; /// defines a reference to the type iterated over (value_type) using reference = typename std::conditional::value, typename BasicJsonType::const_reference, typename BasicJsonType::reference>::type; iter_impl() = default; ~iter_impl() = default; iter_impl(iter_impl&&) noexcept = default; iter_impl& operator=(iter_impl&&) noexcept = default; /*! @brief constructor for a given JSON instance @param[in] object pointer to a JSON object for this iterator @pre object != nullptr @post The iterator is initialized; i.e. `m_object != nullptr`. */ explicit iter_impl(pointer object) noexcept : m_object(object) { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { m_it.object_iterator = typename object_t::iterator(); break; } case value_t::array: { m_it.array_iterator = typename array_t::iterator(); break; } case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { m_it.primitive_iterator = primitive_iterator_t(); break; } } } /*! @note The conventional copy constructor and copy assignment are implicitly defined. Combined with the following converting constructor and assignment, they support: (1) copy from iterator to iterator, (2) copy from const iterator to const iterator, and (3) conversion from iterator to const iterator. However conversion from const iterator to iterator is not defined. */ /*! @brief const copy constructor @param[in] other const iterator to copy from @note This copy constructor had to be defined explicitly to circumvent a bug occurring on msvc v19.0 compiler (VS 2015) debug build. For more information refer to: https://github.com/nlohmann/json/issues/1608 */ iter_impl(const iter_impl& other) noexcept : m_object(other.m_object), m_it(other.m_it) {} /*! @brief converting assignment @param[in] other const iterator to copy from @return const/non-const iterator @note It is not checked whether @a other is initialized. */ iter_impl& operator=(const iter_impl& other) noexcept { if (&other != this) { m_object = other.m_object; m_it = other.m_it; } return *this; } /*! @brief converting constructor @param[in] other non-const iterator to copy from @note It is not checked whether @a other is initialized. */ iter_impl(const iter_impl::type>& other) noexcept : m_object(other.m_object), m_it(other.m_it) {} /*! @brief converting assignment @param[in] other non-const iterator to copy from @return const/non-const iterator @note It is not checked whether @a other is initialized. */ iter_impl& operator=(const iter_impl::type>& other) noexcept // NOLINT(cert-oop54-cpp) { m_object = other.m_object; m_it = other.m_it; return *this; } JSON_PRIVATE_UNLESS_TESTED: /*! @brief set the iterator to the first value @pre The iterator is initialized; i.e. `m_object != nullptr`. */ void set_begin() noexcept { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { m_it.object_iterator = m_object->m_data.m_value.object->begin(); break; } case value_t::array: { m_it.array_iterator = m_object->m_data.m_value.array->begin(); break; } case value_t::null: { // set to end so begin()==end() is true: null is empty m_it.primitive_iterator.set_end(); break; } case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { m_it.primitive_iterator.set_begin(); break; } } } /*! @brief set the iterator past the last value @pre The iterator is initialized; i.e. `m_object != nullptr`. */ void set_end() noexcept { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { m_it.object_iterator = m_object->m_data.m_value.object->end(); break; } case value_t::array: { m_it.array_iterator = m_object->m_data.m_value.array->end(); break; } case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { m_it.primitive_iterator.set_end(); break; } } } public: /*! @brief return a reference to the value pointed to by the iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ reference operator*() const { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { JSON_ASSERT(m_it.object_iterator != m_object->m_data.m_value.object->end()); return m_it.object_iterator->second; } case value_t::array: { JSON_ASSERT(m_it.array_iterator != m_object->m_data.m_value.array->end()); return *m_it.array_iterator; } case value_t::null: JSON_THROW(invalid_iterator::create(214, "cannot get value", m_object)); case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { if (JSON_HEDLEY_LIKELY(m_it.primitive_iterator.is_begin())) { return *m_object; } JSON_THROW(invalid_iterator::create(214, "cannot get value", m_object)); } } } /*! @brief dereference the iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ pointer operator->() const { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { JSON_ASSERT(m_it.object_iterator != m_object->m_data.m_value.object->end()); return &(m_it.object_iterator->second); } case value_t::array: { JSON_ASSERT(m_it.array_iterator != m_object->m_data.m_value.array->end()); return &*m_it.array_iterator; } case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { if (JSON_HEDLEY_LIKELY(m_it.primitive_iterator.is_begin())) { return m_object; } JSON_THROW(invalid_iterator::create(214, "cannot get value", m_object)); } } } /*! @brief post-increment (it++) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl operator++(int)& // NOLINT(cert-dcl21-cpp) { auto result = *this; ++(*this); return result; } /*! @brief pre-increment (++it) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator++() { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { std::advance(m_it.object_iterator, 1); break; } case value_t::array: { std::advance(m_it.array_iterator, 1); break; } case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { ++m_it.primitive_iterator; break; } } return *this; } /*! @brief post-decrement (it--) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl operator--(int)& // NOLINT(cert-dcl21-cpp) { auto result = *this; --(*this); return result; } /*! @brief pre-decrement (--it) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator--() { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: { std::advance(m_it.object_iterator, -1); break; } case value_t::array: { std::advance(m_it.array_iterator, -1); break; } case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { --m_it.primitive_iterator; break; } } return *this; } /*! @brief comparison: equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ template < typename IterImpl, detail::enable_if_t < (std::is_same::value || std::is_same::value), std::nullptr_t > = nullptr > bool operator==(const IterImpl& other) const { // if objects are not the same, the comparison is undefined if (JSON_HEDLEY_UNLIKELY(m_object != other.m_object)) { JSON_THROW(invalid_iterator::create(212, "cannot compare iterators of different containers", m_object)); } JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: return (m_it.object_iterator == other.m_it.object_iterator); case value_t::array: return (m_it.array_iterator == other.m_it.array_iterator); case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: return (m_it.primitive_iterator == other.m_it.primitive_iterator); } } /*! @brief comparison: not equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ template < typename IterImpl, detail::enable_if_t < (std::is_same::value || std::is_same::value), std::nullptr_t > = nullptr > bool operator!=(const IterImpl& other) const { return !operator==(other); } /*! @brief comparison: smaller @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator<(const iter_impl& other) const { // if objects are not the same, the comparison is undefined if (JSON_HEDLEY_UNLIKELY(m_object != other.m_object)) { JSON_THROW(invalid_iterator::create(212, "cannot compare iterators of different containers", m_object)); } JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(213, "cannot compare order of object iterators", m_object)); case value_t::array: return (m_it.array_iterator < other.m_it.array_iterator); case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: return (m_it.primitive_iterator < other.m_it.primitive_iterator); } } /*! @brief comparison: less than or equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator<=(const iter_impl& other) const { return !other.operator < (*this); } /*! @brief comparison: greater than @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator>(const iter_impl& other) const { return !operator<=(other); } /*! @brief comparison: greater than or equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator>=(const iter_impl& other) const { return !operator<(other); } /*! @brief add to iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator+=(difference_type i) { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(209, "cannot use offsets with object iterators", m_object)); case value_t::array: { std::advance(m_it.array_iterator, i); break; } case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { m_it.primitive_iterator += i; break; } } return *this; } /*! @brief subtract from iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator-=(difference_type i) { return operator+=(-i); } /*! @brief add to iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl operator+(difference_type i) const { auto result = *this; result += i; return result; } /*! @brief addition of distance and iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ friend iter_impl operator+(difference_type i, const iter_impl& it) { auto result = it; result += i; return result; } /*! @brief subtract from iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl operator-(difference_type i) const { auto result = *this; result -= i; return result; } /*! @brief return difference @pre The iterator is initialized; i.e. `m_object != nullptr`. */ difference_type operator-(const iter_impl& other) const { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(209, "cannot use offsets with object iterators", m_object)); case value_t::array: return m_it.array_iterator - other.m_it.array_iterator; case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: return m_it.primitive_iterator - other.m_it.primitive_iterator; } } /*! @brief access to successor @pre The iterator is initialized; i.e. `m_object != nullptr`. */ reference operator[](difference_type n) const { JSON_ASSERT(m_object != nullptr); switch (m_object->m_data.m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(208, "cannot use operator[] for object iterators", m_object)); case value_t::array: return *std::next(m_it.array_iterator, n); case value_t::null: JSON_THROW(invalid_iterator::create(214, "cannot get value", m_object)); case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: { if (JSON_HEDLEY_LIKELY(m_it.primitive_iterator.get_value() == -n)) { return *m_object; } JSON_THROW(invalid_iterator::create(214, "cannot get value", m_object)); } } } /*! @brief return the key of an object iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ const typename object_t::key_type& key() const { JSON_ASSERT(m_object != nullptr); if (JSON_HEDLEY_LIKELY(m_object->is_object())) { return m_it.object_iterator->first; } JSON_THROW(invalid_iterator::create(207, "cannot use key() for non-object iterators", m_object)); } /*! @brief return the value of an iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ reference value() const { return operator*(); } JSON_PRIVATE_UNLESS_TESTED: /// associated JSON instance pointer m_object = nullptr; /// the actual iterator of the associated instance internal_iterator::type> m_it {}; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/iteration_proxy.hpp000066400000000000000000000200561516317240700327270ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // size_t #include // input_iterator_tag #include // string, to_string #include // tuple_size, get, tuple_element #include // move #if JSON_HAS_RANGES #include // enable_borrowed_range #endif #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { template void int_to_string( string_type& target, std::size_t value ) { // For ADL using std::to_string; target = to_string(value); } template class iteration_proxy_value { public: using difference_type = std::ptrdiff_t; using value_type = iteration_proxy_value; using pointer = value_type *; using reference = value_type &; using iterator_category = std::input_iterator_tag; using string_type = typename std::remove_cv< typename std::remove_reference().key() ) >::type >::type; private: /// the iterator IteratorType anchor{}; /// an index for arrays (used to create key names) std::size_t array_index = 0; /// last stringified array index mutable std::size_t array_index_last = 0; /// a string representation of the array index mutable string_type array_index_str = "0"; /// an empty string (to return a reference for primitive values) string_type empty_str{}; public: explicit iteration_proxy_value() = default; explicit iteration_proxy_value(IteratorType it, std::size_t array_index_ = 0) noexcept(std::is_nothrow_move_constructible::value && std::is_nothrow_default_constructible::value) : anchor(std::move(it)) , array_index(array_index_) {} iteration_proxy_value(iteration_proxy_value const&) = default; iteration_proxy_value& operator=(iteration_proxy_value const&) = default; // older GCCs are a bit fussy and require explicit noexcept specifiers on defaulted functions iteration_proxy_value(iteration_proxy_value&&) noexcept(std::is_nothrow_move_constructible::value && std::is_nothrow_move_constructible::value) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor,cppcoreguidelines-noexcept-move-operations) iteration_proxy_value& operator=(iteration_proxy_value&&) noexcept(std::is_nothrow_move_assignable::value && std::is_nothrow_move_assignable::value) = default; // NOLINT(hicpp-noexcept-move,performance-noexcept-move-constructor,cppcoreguidelines-noexcept-move-operations) ~iteration_proxy_value() = default; /// dereference operator (needed for range-based for) const iteration_proxy_value& operator*() const { return *this; } /// increment operator (needed for range-based for) iteration_proxy_value& operator++() { ++anchor; ++array_index; return *this; } iteration_proxy_value operator++(int)& // NOLINT(cert-dcl21-cpp) { auto tmp = iteration_proxy_value(anchor, array_index); ++anchor; ++array_index; return tmp; } /// equality operator (needed for InputIterator) bool operator==(const iteration_proxy_value& o) const { return anchor == o.anchor; } /// inequality operator (needed for range-based for) bool operator!=(const iteration_proxy_value& o) const { return anchor != o.anchor; } /// return key of the iterator const string_type& key() const { JSON_ASSERT(anchor.m_object != nullptr); switch (anchor.m_object->type()) { // use integer array index as key case value_t::array: { if (array_index != array_index_last) { int_to_string( array_index_str, array_index ); array_index_last = array_index; } return array_index_str; } // use key from the object case value_t::object: return anchor.key(); // use an empty key for all primitive types case value_t::null: case value_t::string: case value_t::boolean: case value_t::number_integer: case value_t::number_unsigned: case value_t::number_float: case value_t::binary: case value_t::discarded: default: return empty_str; } } /// return value of the iterator typename IteratorType::reference value() const { return anchor.value(); } }; /// proxy class for the items() function template class iteration_proxy { private: /// the container to iterate typename IteratorType::pointer container = nullptr; public: explicit iteration_proxy() = default; /// construct iteration proxy from a container explicit iteration_proxy(typename IteratorType::reference cont) noexcept : container(&cont) {} iteration_proxy(iteration_proxy const&) = default; iteration_proxy& operator=(iteration_proxy const&) = default; iteration_proxy(iteration_proxy&&) noexcept = default; iteration_proxy& operator=(iteration_proxy&&) noexcept = default; ~iteration_proxy() = default; /// return iterator begin (needed for range-based for) iteration_proxy_value begin() const noexcept { return iteration_proxy_value(container->begin()); } /// return iterator end (needed for range-based for) iteration_proxy_value end() const noexcept { return iteration_proxy_value(container->end()); } }; // Structured Bindings Support // For further reference see https://blog.tartanllama.xyz/structured-bindings/ // And see https://github.com/nlohmann/json/pull/1391 template = 0> auto get(const nlohmann::detail::iteration_proxy_value& i) -> decltype(i.key()) { return i.key(); } // Structured Bindings Support // For further reference see https://blog.tartanllama.xyz/structured-bindings/ // And see https://github.com/nlohmann/json/pull/1391 template = 0> auto get(const nlohmann::detail::iteration_proxy_value& i) -> decltype(i.value()) { return i.value(); } } // namespace detail NLOHMANN_JSON_NAMESPACE_END // The Addition to the STD Namespace is required to add // Structured Bindings Support to the iteration_proxy_value class // For further reference see https://blog.tartanllama.xyz/structured-bindings/ // And see https://github.com/nlohmann/json/pull/1391 namespace std { #if defined(__clang__) // Fix: https://github.com/nlohmann/json/issues/1401 #pragma clang diagnostic push #pragma clang diagnostic ignored "-Wmismatched-tags" #endif template class tuple_size<::nlohmann::detail::iteration_proxy_value> // NOLINT(cert-dcl58-cpp) : public std::integral_constant {}; template class tuple_element> // NOLINT(cert-dcl58-cpp) { public: using type = decltype( get(std::declval < ::nlohmann::detail::iteration_proxy_value> ())); }; #if defined(__clang__) #pragma clang diagnostic pop #endif } // namespace std #if JSON_HAS_RANGES template inline constexpr bool ::std::ranges::enable_borrowed_range<::nlohmann::detail::iteration_proxy> = true; #endif OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/iterator_traits.hpp000066400000000000000000000033351516317240700327100ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // random_access_iterator_tag #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { template struct iterator_types {}; template struct iterator_types < It, void_t> { using difference_type = typename It::difference_type; using value_type = typename It::value_type; using pointer = typename It::pointer; using reference = typename It::reference; using iterator_category = typename It::iterator_category; }; // This is required as some compilers implement std::iterator_traits in a way that // doesn't work with SFINAE. See https://github.com/nlohmann/json/issues/1341. template struct iterator_traits { }; template struct iterator_traits < T, enable_if_t < !std::is_pointer::value >> : iterator_types { }; template struct iterator_traits::value>> { using iterator_category = std::random_access_iterator_tag; using value_type = T; using difference_type = ptrdiff_t; using pointer = T*; using reference = T&; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/json_reverse_iterator.hpp000066400000000000000000000074251516317240700341120ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // ptrdiff_t #include // reverse_iterator #include // declval #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { ////////////////////// // reverse_iterator // ////////////////////// /*! @brief a template for a reverse iterator class @tparam Base the base iterator type to reverse. Valid types are @ref iterator (to create @ref reverse_iterator) and @ref const_iterator (to create @ref const_reverse_iterator). @requirement The class satisfies the following concept requirements: - [BidirectionalIterator](https://en.cppreference.com/w/cpp/named_req/BidirectionalIterator): The iterator that can be moved can be moved in both directions (i.e. incremented and decremented). - [OutputIterator](https://en.cppreference.com/w/cpp/named_req/OutputIterator): It is possible to write to the pointed-to element (only if @a Base is @ref iterator). @since version 1.0.0 */ template class json_reverse_iterator : public std::reverse_iterator { public: using difference_type = std::ptrdiff_t; /// shortcut to the reverse iterator adapter using base_iterator = std::reverse_iterator; /// the reference type for the pointed-to element using reference = typename Base::reference; /// create reverse iterator from iterator explicit json_reverse_iterator(const typename base_iterator::iterator_type& it) noexcept : base_iterator(it) {} /// create reverse iterator from base class explicit json_reverse_iterator(const base_iterator& it) noexcept : base_iterator(it) {} /// post-increment (it++) json_reverse_iterator operator++(int)& // NOLINT(cert-dcl21-cpp) { return static_cast(base_iterator::operator++(1)); } /// pre-increment (++it) json_reverse_iterator& operator++() { return static_cast(base_iterator::operator++()); } /// post-decrement (it--) json_reverse_iterator operator--(int)& // NOLINT(cert-dcl21-cpp) { return static_cast(base_iterator::operator--(1)); } /// pre-decrement (--it) json_reverse_iterator& operator--() { return static_cast(base_iterator::operator--()); } /// add to iterator json_reverse_iterator& operator+=(difference_type i) { return static_cast(base_iterator::operator+=(i)); } /// add to iterator json_reverse_iterator operator+(difference_type i) const { return static_cast(base_iterator::operator+(i)); } /// subtract from iterator json_reverse_iterator operator-(difference_type i) const { return static_cast(base_iterator::operator-(i)); } /// return difference difference_type operator-(const json_reverse_iterator& other) const { return base_iterator(*this) - base_iterator(other); } /// access to successor reference operator[](difference_type n) const { return *(this->operator+(n)); } /// return the key of an object iterator auto key() const -> decltype(std::declval().key()) { auto it = --this->base(); return it.key(); } /// return the value of an iterator reference value() const { auto it = --this->base(); return it.operator * (); } }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/iterators/primitive_iterator.hpp000066400000000000000000000062331516317240700334120ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // ptrdiff_t #include // numeric_limits #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /* @brief an iterator for primitive JSON types This class models an iterator for primitive JSON types (boolean, number, string). It's only purpose is to allow the iterator/const_iterator classes to "iterate" over primitive values. Internally, the iterator is modeled by a `difference_type` variable. Value begin_value (`0`) models the begin, end_value (`1`) models past the end. */ class primitive_iterator_t { private: using difference_type = std::ptrdiff_t; static constexpr difference_type begin_value = 0; static constexpr difference_type end_value = begin_value + 1; JSON_PRIVATE_UNLESS_TESTED: /// iterator as signed integer type difference_type m_it = (std::numeric_limits::min)(); public: constexpr difference_type get_value() const noexcept { return m_it; } /// set iterator to a defined beginning void set_begin() noexcept { m_it = begin_value; } /// set iterator to a defined past the end void set_end() noexcept { m_it = end_value; } /// return whether the iterator can be dereferenced constexpr bool is_begin() const noexcept { return m_it == begin_value; } /// return whether the iterator is at end constexpr bool is_end() const noexcept { return m_it == end_value; } friend constexpr bool operator==(primitive_iterator_t lhs, primitive_iterator_t rhs) noexcept { return lhs.m_it == rhs.m_it; } friend constexpr bool operator<(primitive_iterator_t lhs, primitive_iterator_t rhs) noexcept { return lhs.m_it < rhs.m_it; } primitive_iterator_t operator+(difference_type n) noexcept { auto result = *this; result += n; return result; } friend constexpr difference_type operator-(primitive_iterator_t lhs, primitive_iterator_t rhs) noexcept { return lhs.m_it - rhs.m_it; } primitive_iterator_t& operator++() noexcept { ++m_it; return *this; } primitive_iterator_t operator++(int)& noexcept // NOLINT(cert-dcl21-cpp) { auto result = *this; ++m_it; return result; } primitive_iterator_t& operator--() noexcept { --m_it; return *this; } primitive_iterator_t operator--(int)& noexcept // NOLINT(cert-dcl21-cpp) { auto result = *this; --m_it; return result; } primitive_iterator_t& operator+=(difference_type n) noexcept { m_it += n; return *this; } primitive_iterator_t& operator-=(difference_type n) noexcept { m_it -= n; return *this; } }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/json_custom_base_class.hpp000066400000000000000000000022321516317240700321720ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // conditional, is_same #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { /*! @brief Default base class of the @ref basic_json class. So that the correct implementations of the copy / move ctors / assign operators of @ref basic_json do not require complex case distinctions (no base class / custom base class used as customization point), @ref basic_json always has a base class. By default, this class is used because it is empty and thus has no effect on the behavior of @ref basic_json. */ struct json_default_base {}; template using json_base_class = typename std::conditional < std::is_same::value, json_default_base, T >::type; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/json_pointer.hpp000066400000000000000000001104271516317240700301670ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // all_of #include // isdigit #include // errno, ERANGE #include // strtoull #ifndef JSON_NO_IO #include // ostream #endif // JSON_NO_IO #include // max #include // accumulate #include // string #include // move #include // vector #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN /// @brief JSON Pointer defines a string syntax for identifying a specific value within a JSON document /// @sa https://json.nlohmann.me/api/json_pointer/ template class json_pointer { // allow basic_json to access private members NLOHMANN_BASIC_JSON_TPL_DECLARATION friend class basic_json; template friend class json_pointer; template struct string_t_helper { using type = T; }; NLOHMANN_BASIC_JSON_TPL_DECLARATION struct string_t_helper { using type = StringType; }; public: // for backwards compatibility accept BasicJsonType using string_t = typename string_t_helper::type; /// @brief create JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/json_pointer/ explicit json_pointer(const string_t& s = "") : reference_tokens(split(s)) {} /// @brief return a string representation of the JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/to_string/ string_t to_string() const { return std::accumulate(reference_tokens.begin(), reference_tokens.end(), string_t{}, [](const string_t& a, const string_t& b) { return detail::concat(a, '/', detail::escape(b)); }); } /// @brief return a string representation of the JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_string/ JSON_HEDLEY_DEPRECATED_FOR(3.11.0, to_string()) operator string_t() const { return to_string(); } #ifndef JSON_NO_IO /// @brief write string representation of the JSON pointer to stream /// @sa https://json.nlohmann.me/api/basic_json/operator_ltlt/ friend std::ostream& operator<<(std::ostream& o, const json_pointer& ptr) { o << ptr.to_string(); return o; } #endif /// @brief append another JSON pointer at the end of this JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_slasheq/ json_pointer& operator/=(const json_pointer& ptr) { reference_tokens.insert(reference_tokens.end(), ptr.reference_tokens.begin(), ptr.reference_tokens.end()); return *this; } /// @brief append an unescaped reference token at the end of this JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_slasheq/ json_pointer& operator/=(string_t token) { push_back(std::move(token)); return *this; } /// @brief append an array index at the end of this JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_slasheq/ json_pointer& operator/=(std::size_t array_idx) { return *this /= std::to_string(array_idx); } /// @brief create a new JSON pointer by appending the right JSON pointer at the end of the left JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_slash/ friend json_pointer operator/(const json_pointer& lhs, const json_pointer& rhs) { return json_pointer(lhs) /= rhs; } /// @brief create a new JSON pointer by appending the unescaped token at the end of the JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_slash/ friend json_pointer operator/(const json_pointer& lhs, string_t token) // NOLINT(performance-unnecessary-value-param) { return json_pointer(lhs) /= std::move(token); } /// @brief create a new JSON pointer by appending the array-index-token at the end of the JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/operator_slash/ friend json_pointer operator/(const json_pointer& lhs, std::size_t array_idx) { return json_pointer(lhs) /= array_idx; } /// @brief returns the parent of this JSON pointer /// @sa https://json.nlohmann.me/api/json_pointer/parent_pointer/ json_pointer parent_pointer() const { if (empty()) { return *this; } json_pointer res = *this; res.pop_back(); return res; } /// @brief remove last reference token /// @sa https://json.nlohmann.me/api/json_pointer/pop_back/ void pop_back() { if (JSON_HEDLEY_UNLIKELY(empty())) { JSON_THROW(detail::out_of_range::create(405, "JSON pointer has no parent", nullptr)); } reference_tokens.pop_back(); } /// @brief return last reference token /// @sa https://json.nlohmann.me/api/json_pointer/back/ const string_t& back() const { if (JSON_HEDLEY_UNLIKELY(empty())) { JSON_THROW(detail::out_of_range::create(405, "JSON pointer has no parent", nullptr)); } return reference_tokens.back(); } /// @brief append an unescaped token at the end of the reference pointer /// @sa https://json.nlohmann.me/api/json_pointer/push_back/ void push_back(const string_t& token) { reference_tokens.push_back(token); } /// @brief append an unescaped token at the end of the reference pointer /// @sa https://json.nlohmann.me/api/json_pointer/push_back/ void push_back(string_t&& token) { reference_tokens.push_back(std::move(token)); } /// @brief return whether pointer points to the root document /// @sa https://json.nlohmann.me/api/json_pointer/empty/ bool empty() const noexcept { return reference_tokens.empty(); } private: /*! @param[in] s reference token to be converted into an array index @return integer representation of @a s @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index begins not with a digit @throw out_of_range.404 if string @a s could not be converted to an integer @throw out_of_range.410 if an array index exceeds size_type */ template static typename BasicJsonType::size_type array_index(const string_t& s) { using size_type = typename BasicJsonType::size_type; // error condition (cf. RFC 6901, Sect. 4) if (JSON_HEDLEY_UNLIKELY(s.size() > 1 && s[0] == '0')) { JSON_THROW(detail::parse_error::create(106, 0, detail::concat("array index '", s, "' must not begin with '0'"), nullptr)); } // error condition (cf. RFC 6901, Sect. 4) if (JSON_HEDLEY_UNLIKELY(s.size() > 1 && !(s[0] >= '1' && s[0] <= '9'))) { JSON_THROW(detail::parse_error::create(109, 0, detail::concat("array index '", s, "' is not a number"), nullptr)); } const char* p = s.c_str(); char* p_end = nullptr; errno = 0; // strtoull doesn't reset errno const unsigned long long res = std::strtoull(p, &p_end, 10); // NOLINT(runtime/int) if (p == p_end // invalid input or empty string || errno == ERANGE // out of range || JSON_HEDLEY_UNLIKELY(static_cast(p_end - p) != s.size())) // incomplete read { JSON_THROW(detail::out_of_range::create(404, detail::concat("unresolved reference token '", s, "'"), nullptr)); } // only triggered on special platforms (like 32bit), see also // https://github.com/nlohmann/json/pull/2203 if (res >= static_cast((std::numeric_limits::max)())) // NOLINT(runtime/int) { JSON_THROW(detail::out_of_range::create(410, detail::concat("array index ", s, " exceeds size_type"), nullptr)); // LCOV_EXCL_LINE } return static_cast(res); } JSON_PRIVATE_UNLESS_TESTED: json_pointer top() const { if (JSON_HEDLEY_UNLIKELY(empty())) { JSON_THROW(detail::out_of_range::create(405, "JSON pointer has no parent", nullptr)); } json_pointer result = *this; result.reference_tokens = {reference_tokens[0]}; return result; } private: /*! @brief create and return a reference to the pointed to value @complexity Linear in the number of reference tokens. @throw parse_error.109 if array index is not a number @throw type_error.313 if value cannot be unflattened */ template BasicJsonType& get_and_create(BasicJsonType& j) const { auto* result = &j; // in case no reference tokens exist, return a reference to the JSON value // j which will be overwritten by a primitive value for (const auto& reference_token : reference_tokens) { switch (result->type()) { case detail::value_t::null: { if (reference_token == "0") { // start a new array if reference token is 0 result = &result->operator[](0); } else { // start a new object otherwise result = &result->operator[](reference_token); } break; } case detail::value_t::object: { // create an entry in the object result = &result->operator[](reference_token); break; } case detail::value_t::array: { // create an entry in the array result = &result->operator[](array_index(reference_token)); break; } /* The following code is only reached if there exists a reference token _and_ the current value is primitive. In this case, we have an error situation, because primitive values may only occur as single value; that is, with an empty list of reference tokens. */ case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: JSON_THROW(detail::type_error::create(313, "invalid value to unflatten", &j)); } } return *result; } /*! @brief return a reference to the pointed to value @note This version does not throw if a value is not present, but tries to create nested values instead. For instance, calling this function with pointer `"/this/that"` on a null value is equivalent to calling `operator[]("this").operator[]("that")` on that value, effectively changing the null value to an object. @param[in] ptr a JSON value @return reference to the JSON value pointed to by the JSON pointer @complexity Linear in the length of the JSON pointer. @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.404 if the JSON pointer can not be resolved */ template BasicJsonType& get_unchecked(BasicJsonType* ptr) const { for (const auto& reference_token : reference_tokens) { // convert null values to arrays or objects before continuing if (ptr->is_null()) { // check if reference token is a number const bool nums = std::all_of(reference_token.begin(), reference_token.end(), [](const unsigned char x) { return std::isdigit(x); }); // change value to array for numbers or "-" or to object otherwise *ptr = (nums || reference_token == "-") ? detail::value_t::array : detail::value_t::object; } switch (ptr->type()) { case detail::value_t::object: { // use unchecked object access ptr = &ptr->operator[](reference_token); break; } case detail::value_t::array: { if (reference_token == "-") { // explicitly treat "-" as index beyond the end ptr = &ptr->operator[](ptr->m_data.m_value.array->size()); } else { // convert array index to number; unchecked access ptr = &ptr->operator[](array_index(reference_token)); } break; } case detail::value_t::null: case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: JSON_THROW(detail::out_of_range::create(404, detail::concat("unresolved reference token '", reference_token, "'"), ptr)); } } return *ptr; } /*! @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.402 if the array index '-' is used @throw out_of_range.404 if the JSON pointer can not be resolved */ template BasicJsonType& get_checked(BasicJsonType* ptr) const { for (const auto& reference_token : reference_tokens) { switch (ptr->type()) { case detail::value_t::object: { // note: at performs range check ptr = &ptr->at(reference_token); break; } case detail::value_t::array: { if (JSON_HEDLEY_UNLIKELY(reference_token == "-")) { // "-" always fails the range check JSON_THROW(detail::out_of_range::create(402, detail::concat( "array index '-' (", std::to_string(ptr->m_data.m_value.array->size()), ") is out of range"), ptr)); } // note: at performs range check ptr = &ptr->at(array_index(reference_token)); break; } case detail::value_t::null: case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: JSON_THROW(detail::out_of_range::create(404, detail::concat("unresolved reference token '", reference_token, "'"), ptr)); } } return *ptr; } /*! @brief return a const reference to the pointed to value @param[in] ptr a JSON value @return const reference to the JSON value pointed to by the JSON pointer @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.402 if the array index '-' is used @throw out_of_range.404 if the JSON pointer can not be resolved */ template const BasicJsonType& get_unchecked(const BasicJsonType* ptr) const { for (const auto& reference_token : reference_tokens) { switch (ptr->type()) { case detail::value_t::object: { // use unchecked object access ptr = &ptr->operator[](reference_token); break; } case detail::value_t::array: { if (JSON_HEDLEY_UNLIKELY(reference_token == "-")) { // "-" cannot be used for const access JSON_THROW(detail::out_of_range::create(402, detail::concat("array index '-' (", std::to_string(ptr->m_data.m_value.array->size()), ") is out of range"), ptr)); } // use unchecked array access ptr = &ptr->operator[](array_index(reference_token)); break; } case detail::value_t::null: case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: JSON_THROW(detail::out_of_range::create(404, detail::concat("unresolved reference token '", reference_token, "'"), ptr)); } } return *ptr; } /*! @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.402 if the array index '-' is used @throw out_of_range.404 if the JSON pointer can not be resolved */ template const BasicJsonType& get_checked(const BasicJsonType* ptr) const { for (const auto& reference_token : reference_tokens) { switch (ptr->type()) { case detail::value_t::object: { // note: at performs range check ptr = &ptr->at(reference_token); break; } case detail::value_t::array: { if (JSON_HEDLEY_UNLIKELY(reference_token == "-")) { // "-" always fails the range check JSON_THROW(detail::out_of_range::create(402, detail::concat( "array index '-' (", std::to_string(ptr->m_data.m_value.array->size()), ") is out of range"), ptr)); } // note: at performs range check ptr = &ptr->at(array_index(reference_token)); break; } case detail::value_t::null: case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: JSON_THROW(detail::out_of_range::create(404, detail::concat("unresolved reference token '", reference_token, "'"), ptr)); } } return *ptr; } /*! @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number */ template bool contains(const BasicJsonType* ptr) const { for (const auto& reference_token : reference_tokens) { switch (ptr->type()) { case detail::value_t::object: { if (!ptr->contains(reference_token)) { // we did not find the key in the object return false; } ptr = &ptr->operator[](reference_token); break; } case detail::value_t::array: { if (JSON_HEDLEY_UNLIKELY(reference_token == "-")) { // "-" always fails the range check return false; } if (JSON_HEDLEY_UNLIKELY(reference_token.size() == 1 && !("0" <= reference_token && reference_token <= "9"))) { // invalid char return false; } if (JSON_HEDLEY_UNLIKELY(reference_token.size() > 1)) { if (JSON_HEDLEY_UNLIKELY(!('1' <= reference_token[0] && reference_token[0] <= '9'))) { // first char should be between '1' and '9' return false; } for (std::size_t i = 1; i < reference_token.size(); i++) { if (JSON_HEDLEY_UNLIKELY(!('0' <= reference_token[i] && reference_token[i] <= '9'))) { // other char should be between '0' and '9' return false; } } } const auto idx = array_index(reference_token); if (idx >= ptr->size()) { // index out of range return false; } ptr = &ptr->operator[](idx); break; } case detail::value_t::null: case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: { // we do not expect primitive values if there is still a // reference token to process return false; } } } // no reference token left means we found a primitive value return true; } /*! @brief split the string input to reference tokens @note This function is only called by the json_pointer constructor. All exceptions below are documented there. @throw parse_error.107 if the pointer is not empty or begins with '/' @throw parse_error.108 if character '~' is not followed by '0' or '1' */ static std::vector split(const string_t& reference_string) { std::vector result; // special case: empty reference string -> no reference tokens if (reference_string.empty()) { return result; } // check if nonempty reference string begins with slash if (JSON_HEDLEY_UNLIKELY(reference_string[0] != '/')) { JSON_THROW(detail::parse_error::create(107, 1, detail::concat("JSON pointer must be empty or begin with '/' - was: '", reference_string, "'"), nullptr)); } // extract the reference tokens: // - slash: position of the last read slash (or end of string) // - start: position after the previous slash for ( // search for the first slash after the first character std::size_t slash = reference_string.find_first_of('/', 1), // set the beginning of the first reference token start = 1; // we can stop if start == 0 (if slash == string_t::npos) start != 0; // set the beginning of the next reference token // (will eventually be 0 if slash == string_t::npos) start = (slash == string_t::npos) ? 0 : slash + 1, // find next slash slash = reference_string.find_first_of('/', start)) { // use the text between the beginning of the reference token // (start) and the last slash (slash). auto reference_token = reference_string.substr(start, slash - start); // check reference tokens are properly escaped for (std::size_t pos = reference_token.find_first_of('~'); pos != string_t::npos; pos = reference_token.find_first_of('~', pos + 1)) { JSON_ASSERT(reference_token[pos] == '~'); // ~ must be followed by 0 or 1 if (JSON_HEDLEY_UNLIKELY(pos == reference_token.size() - 1 || (reference_token[pos + 1] != '0' && reference_token[pos + 1] != '1'))) { JSON_THROW(detail::parse_error::create(108, 0, "escape character '~' must be followed with '0' or '1'", nullptr)); } } // finally, store the reference token detail::unescape(reference_token); result.push_back(reference_token); } return result; } private: /*! @param[in] reference_string the reference string to the current value @param[in] value the value to consider @param[in,out] result the result object to insert values to @note Empty objects or arrays are flattened to `null`. */ template static void flatten(const string_t& reference_string, const BasicJsonType& value, BasicJsonType& result) { switch (value.type()) { case detail::value_t::array: { if (value.m_data.m_value.array->empty()) { // flatten empty array as null result[reference_string] = nullptr; } else { // iterate array and use index as reference string for (std::size_t i = 0; i < value.m_data.m_value.array->size(); ++i) { flatten(detail::concat(reference_string, '/', std::to_string(i)), value.m_data.m_value.array->operator[](i), result); } } break; } case detail::value_t::object: { if (value.m_data.m_value.object->empty()) { // flatten empty object as null result[reference_string] = nullptr; } else { // iterate object and use keys as reference string for (const auto& element : *value.m_data.m_value.object) { flatten(detail::concat(reference_string, '/', detail::escape(element.first)), element.second, result); } } break; } case detail::value_t::null: case detail::value_t::string: case detail::value_t::boolean: case detail::value_t::number_integer: case detail::value_t::number_unsigned: case detail::value_t::number_float: case detail::value_t::binary: case detail::value_t::discarded: default: { // add primitive value with its reference string result[reference_string] = value; break; } } } /*! @param[in] value flattened JSON @return unflattened JSON @throw parse_error.109 if array index is not a number @throw type_error.314 if value is not an object @throw type_error.315 if object values are not primitive @throw type_error.313 if value cannot be unflattened */ template static BasicJsonType unflatten(const BasicJsonType& value) { if (JSON_HEDLEY_UNLIKELY(!value.is_object())) { JSON_THROW(detail::type_error::create(314, "only objects can be unflattened", &value)); } BasicJsonType result; // iterate the JSON object values for (const auto& element : *value.m_data.m_value.object) { if (JSON_HEDLEY_UNLIKELY(!element.second.is_primitive())) { JSON_THROW(detail::type_error::create(315, "values in object must be primitive", &element.second)); } // assign value to reference pointed to by JSON pointer; Note that if // the JSON pointer is "" (i.e., points to the whole value), function // get_and_create returns a reference to result itself. An assignment // will then create a primitive value. json_pointer(element.first).get_and_create(result) = element.second; } return result; } // can't use conversion operator because of ambiguity json_pointer convert() const& { json_pointer result; result.reference_tokens = reference_tokens; return result; } json_pointer convert()&& { json_pointer result; result.reference_tokens = std::move(reference_tokens); return result; } public: #if JSON_HAS_THREE_WAY_COMPARISON /// @brief compares two JSON pointers for equality /// @sa https://json.nlohmann.me/api/json_pointer/operator_eq/ template bool operator==(const json_pointer& rhs) const noexcept { return reference_tokens == rhs.reference_tokens; } /// @brief compares JSON pointer and string for equality /// @sa https://json.nlohmann.me/api/json_pointer/operator_eq/ JSON_HEDLEY_DEPRECATED_FOR(3.11.2, operator==(json_pointer)) bool operator==(const string_t& rhs) const { return *this == json_pointer(rhs); } /// @brief 3-way compares two JSON pointers template std::strong_ordering operator<=>(const json_pointer& rhs) const noexcept // *NOPAD* { return reference_tokens <=> rhs.reference_tokens; // *NOPAD* } #else /// @brief compares two JSON pointers for equality /// @sa https://json.nlohmann.me/api/json_pointer/operator_eq/ template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator==(const json_pointer& lhs, const json_pointer& rhs) noexcept; /// @brief compares JSON pointer and string for equality /// @sa https://json.nlohmann.me/api/json_pointer/operator_eq/ template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator==(const json_pointer& lhs, const StringType& rhs); /// @brief compares string and JSON pointer for equality /// @sa https://json.nlohmann.me/api/json_pointer/operator_eq/ template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator==(const StringType& lhs, const json_pointer& rhs); /// @brief compares two JSON pointers for inequality /// @sa https://json.nlohmann.me/api/json_pointer/operator_ne/ template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator!=(const json_pointer& lhs, const json_pointer& rhs) noexcept; /// @brief compares JSON pointer and string for inequality /// @sa https://json.nlohmann.me/api/json_pointer/operator_ne/ template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator!=(const json_pointer& lhs, const StringType& rhs); /// @brief compares string and JSON pointer for inequality /// @sa https://json.nlohmann.me/api/json_pointer/operator_ne/ template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator!=(const StringType& lhs, const json_pointer& rhs); /// @brief compares two JSON pointer for less-than template // NOLINTNEXTLINE(readability-redundant-declaration) friend bool operator<(const json_pointer& lhs, const json_pointer& rhs) noexcept; #endif private: /// the reference tokens std::vector reference_tokens; }; #if !JSON_HAS_THREE_WAY_COMPARISON // functions cannot be defined inside class due to ODR violations template inline bool operator==(const json_pointer& lhs, const json_pointer& rhs) noexcept { return lhs.reference_tokens == rhs.reference_tokens; } template::string_t> JSON_HEDLEY_DEPRECATED_FOR(3.11.2, operator==(json_pointer, json_pointer)) inline bool operator==(const json_pointer& lhs, const StringType& rhs) { return lhs == json_pointer(rhs); } template::string_t> JSON_HEDLEY_DEPRECATED_FOR(3.11.2, operator==(json_pointer, json_pointer)) inline bool operator==(const StringType& lhs, const json_pointer& rhs) { return json_pointer(lhs) == rhs; } template inline bool operator!=(const json_pointer& lhs, const json_pointer& rhs) noexcept { return !(lhs == rhs); } template::string_t> JSON_HEDLEY_DEPRECATED_FOR(3.11.2, operator!=(json_pointer, json_pointer)) inline bool operator!=(const json_pointer& lhs, const StringType& rhs) { return !(lhs == rhs); } template::string_t> JSON_HEDLEY_DEPRECATED_FOR(3.11.2, operator!=(json_pointer, json_pointer)) inline bool operator!=(const StringType& lhs, const json_pointer& rhs) { return !(lhs == rhs); } template inline bool operator<(const json_pointer& lhs, const json_pointer& rhs) noexcept { return lhs.reference_tokens < rhs.reference_tokens; } #endif NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/json_ref.hpp000066400000000000000000000034231516317240700272600ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { template class json_ref { public: using value_type = BasicJsonType; json_ref(value_type&& value) : owned_value(std::move(value)) {} json_ref(const value_type& value) : value_ref(&value) {} json_ref(std::initializer_list init) : owned_value(init) {} template < class... Args, enable_if_t::value, int> = 0 > json_ref(Args && ... args) : owned_value(std::forward(args)...) {} // class should be movable only json_ref(json_ref&&) noexcept = default; json_ref(const json_ref&) = delete; json_ref& operator=(const json_ref&) = delete; json_ref& operator=(json_ref&&) = delete; ~json_ref() = default; value_type moved_or_copied() const { if (value_ref == nullptr) { return std::move(owned_value); } return *value_ref; } value_type const& operator*() const { return value_ref ? *value_ref : owned_value; } value_type const* operator->() const { return &** this; } private: mutable value_type owned_value = nullptr; value_type const* value_ref = nullptr; }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/macro_scope.hpp000066400000000000000000001251671516317240700277570ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // declval, pair #include #include // This file contains all internal macro definitions (except those affecting ABI) // You MUST include macro_unscope.hpp at the end of json.hpp to undef all of them #include // exclude unsupported compilers #if !defined(JSON_SKIP_UNSUPPORTED_COMPILER_CHECK) #if defined(__clang__) #if (__clang_major__ * 10000 + __clang_minor__ * 100 + __clang_patchlevel__) < 30400 #error "unsupported Clang version - see https://github.com/nlohmann/json#supported-compilers" #endif #elif defined(__GNUC__) && !(defined(__ICC) || defined(__INTEL_COMPILER)) #if (__GNUC__ * 10000 + __GNUC_MINOR__ * 100 + __GNUC_PATCHLEVEL__) < 40800 #error "unsupported GCC version - see https://github.com/nlohmann/json#supported-compilers" #endif #endif #endif // C++ language standard detection // if the user manually specified the used c++ version this is skipped #if !defined(JSON_HAS_CPP_20) && !defined(JSON_HAS_CPP_17) && !defined(JSON_HAS_CPP_14) && !defined(JSON_HAS_CPP_11) #if (defined(__cplusplus) && __cplusplus >= 202002L) || (defined(_MSVC_LANG) && _MSVC_LANG >= 202002L) #define JSON_HAS_CPP_20 #define JSON_HAS_CPP_17 #define JSON_HAS_CPP_14 #elif (defined(__cplusplus) && __cplusplus >= 201703L) || (defined(_HAS_CXX17) && _HAS_CXX17 == 1) // fix for issue #464 #define JSON_HAS_CPP_17 #define JSON_HAS_CPP_14 #elif (defined(__cplusplus) && __cplusplus >= 201402L) || (defined(_HAS_CXX14) && _HAS_CXX14 == 1) #define JSON_HAS_CPP_14 #endif // the cpp 11 flag is always specified because it is the minimal required version #define JSON_HAS_CPP_11 #endif #ifdef __has_include #if __has_include() #include #endif #endif #if !defined(JSON_HAS_FILESYSTEM) && !defined(JSON_HAS_EXPERIMENTAL_FILESYSTEM) #ifdef JSON_HAS_CPP_17 #if defined(__cpp_lib_filesystem) #define JSON_HAS_FILESYSTEM 1 #elif defined(__cpp_lib_experimental_filesystem) #define JSON_HAS_EXPERIMENTAL_FILESYSTEM 1 #elif !defined(__has_include) #define JSON_HAS_EXPERIMENTAL_FILESYSTEM 1 #elif __has_include() #define JSON_HAS_FILESYSTEM 1 #elif __has_include() #define JSON_HAS_EXPERIMENTAL_FILESYSTEM 1 #endif // std::filesystem does not work on MinGW GCC 8: https://sourceforge.net/p/mingw-w64/bugs/737/ #if defined(__MINGW32__) && defined(__GNUC__) && __GNUC__ == 8 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #endif // no filesystem support before GCC 8: https://en.cppreference.com/w/cpp/compiler_support #if defined(__GNUC__) && !defined(__clang__) && __GNUC__ < 8 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #endif // no filesystem support before Clang 7: https://en.cppreference.com/w/cpp/compiler_support #if defined(__clang_major__) && __clang_major__ < 7 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #endif // no filesystem support before MSVC 19.14: https://en.cppreference.com/w/cpp/compiler_support #if defined(_MSC_VER) && _MSC_VER < 1914 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #endif // no filesystem support before iOS 13 #if defined(__IPHONE_OS_VERSION_MIN_REQUIRED) && __IPHONE_OS_VERSION_MIN_REQUIRED < 130000 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #endif // no filesystem support before macOS Catalina #if defined(__MAC_OS_X_VERSION_MIN_REQUIRED) && __MAC_OS_X_VERSION_MIN_REQUIRED < 101500 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #endif #endif #endif #ifndef JSON_HAS_EXPERIMENTAL_FILESYSTEM #define JSON_HAS_EXPERIMENTAL_FILESYSTEM 0 #endif #ifndef JSON_HAS_FILESYSTEM #define JSON_HAS_FILESYSTEM 0 #endif #ifndef JSON_HAS_THREE_WAY_COMPARISON #if defined(__cpp_impl_three_way_comparison) && __cpp_impl_three_way_comparison >= 201907L \ && defined(__cpp_lib_three_way_comparison) && __cpp_lib_three_way_comparison >= 201907L #define JSON_HAS_THREE_WAY_COMPARISON 1 #else #define JSON_HAS_THREE_WAY_COMPARISON 0 #endif #endif #ifndef JSON_HAS_RANGES // ranges header shipping in GCC 11.1.0 (released 2021-04-27) has syntax error #if defined(__GLIBCXX__) && __GLIBCXX__ == 20210427 #define JSON_HAS_RANGES 0 #elif defined(__cpp_lib_ranges) #define JSON_HAS_RANGES 1 #else #define JSON_HAS_RANGES 0 #endif #endif #ifndef JSON_HAS_STATIC_RTTI #if !defined(_HAS_STATIC_RTTI) || _HAS_STATIC_RTTI != 0 #define JSON_HAS_STATIC_RTTI 1 #else #define JSON_HAS_STATIC_RTTI 0 #endif #endif #ifdef JSON_HAS_CPP_17 #define JSON_INLINE_VARIABLE inline #else #define JSON_INLINE_VARIABLE #endif #if JSON_HEDLEY_HAS_ATTRIBUTE(no_unique_address) #define JSON_NO_UNIQUE_ADDRESS [[no_unique_address]] #else #define JSON_NO_UNIQUE_ADDRESS #endif // disable documentation warnings on clang #if defined(__clang__) #pragma clang diagnostic push #pragma clang diagnostic ignored "-Wdocumentation" #pragma clang diagnostic ignored "-Wdocumentation-unknown-command" #endif // allow disabling exceptions #if (defined(__cpp_exceptions) || defined(__EXCEPTIONS) || defined(_CPPUNWIND)) && !defined(JSON_NOEXCEPTION) #define JSON_THROW(exception) throw exception #define JSON_TRY try #define JSON_CATCH(exception) catch(exception) #define JSON_INTERNAL_CATCH(exception) catch(exception) #else #include #define JSON_THROW(exception) std::abort() #define JSON_TRY if(true) #define JSON_CATCH(exception) if(false) #define JSON_INTERNAL_CATCH(exception) if(false) #endif // override exception macros #if defined(JSON_THROW_USER) #undef JSON_THROW #define JSON_THROW JSON_THROW_USER #endif #if defined(JSON_TRY_USER) #undef JSON_TRY #define JSON_TRY JSON_TRY_USER #endif #if defined(JSON_CATCH_USER) #undef JSON_CATCH #define JSON_CATCH JSON_CATCH_USER #undef JSON_INTERNAL_CATCH #define JSON_INTERNAL_CATCH JSON_CATCH_USER #endif #if defined(JSON_INTERNAL_CATCH_USER) #undef JSON_INTERNAL_CATCH #define JSON_INTERNAL_CATCH JSON_INTERNAL_CATCH_USER #endif // allow overriding assert #if !defined(JSON_ASSERT) #include // assert #define JSON_ASSERT(x) assert(x) #endif // allow to access some private functions (needed by the test suite) #if defined(JSON_TESTS_PRIVATE) #define JSON_PRIVATE_UNLESS_TESTED public #else #define JSON_PRIVATE_UNLESS_TESTED private #endif /*! @brief macro to briefly define a mapping between an enum and JSON @def NLOHMANN_JSON_SERIALIZE_ENUM @since version 3.4.0 */ #define NLOHMANN_JSON_SERIALIZE_ENUM(ENUM_TYPE, ...) \ template \ inline void to_json(BasicJsonType& j, const ENUM_TYPE& e) \ { \ static_assert(std::is_enum::value, #ENUM_TYPE " must be an enum!"); \ static const std::pair m[] = __VA_ARGS__; \ auto it = std::find_if(std::begin(m), std::end(m), \ [e](const std::pair& ej_pair) -> bool \ { \ return ej_pair.first == e; \ }); \ j = ((it != std::end(m)) ? it : std::begin(m))->second; \ } \ template \ inline void from_json(const BasicJsonType& j, ENUM_TYPE& e) \ { \ static_assert(std::is_enum::value, #ENUM_TYPE " must be an enum!"); \ static const std::pair m[] = __VA_ARGS__; \ auto it = std::find_if(std::begin(m), std::end(m), \ [&j](const std::pair& ej_pair) -> bool \ { \ return ej_pair.second == j; \ }); \ e = ((it != std::end(m)) ? it : std::begin(m))->first; \ } // Ugly macros to avoid uglier copy-paste when specializing basic_json. They // may be removed in the future once the class is split. #define NLOHMANN_BASIC_JSON_TPL_DECLARATION \ template class ObjectType, \ template class ArrayType, \ class StringType, class BooleanType, class NumberIntegerType, \ class NumberUnsignedType, class NumberFloatType, \ template class AllocatorType, \ template class JSONSerializer, \ class BinaryType, \ class CustomBaseClass> #define NLOHMANN_BASIC_JSON_TPL \ basic_json // Macros to simplify conversion from/to types #define NLOHMANN_JSON_EXPAND( x ) x #define NLOHMANN_JSON_GET_MACRO(_1, _2, _3, _4, _5, _6, _7, _8, _9, _10, _11, _12, _13, _14, _15, _16, _17, _18, _19, _20, _21, _22, _23, _24, _25, _26, _27, _28, _29, _30, _31, _32, _33, _34, _35, _36, _37, _38, _39, _40, _41, _42, _43, _44, _45, _46, _47, _48, _49, _50, _51, _52, _53, _54, _55, _56, _57, _58, _59, _60, _61, _62, _63, _64, NAME,...) NAME #define NLOHMANN_JSON_PASTE(...) NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_GET_MACRO(__VA_ARGS__, \ NLOHMANN_JSON_PASTE64, \ NLOHMANN_JSON_PASTE63, \ NLOHMANN_JSON_PASTE62, \ NLOHMANN_JSON_PASTE61, \ NLOHMANN_JSON_PASTE60, \ NLOHMANN_JSON_PASTE59, \ NLOHMANN_JSON_PASTE58, \ NLOHMANN_JSON_PASTE57, \ NLOHMANN_JSON_PASTE56, \ NLOHMANN_JSON_PASTE55, \ NLOHMANN_JSON_PASTE54, \ NLOHMANN_JSON_PASTE53, \ NLOHMANN_JSON_PASTE52, \ NLOHMANN_JSON_PASTE51, \ NLOHMANN_JSON_PASTE50, \ NLOHMANN_JSON_PASTE49, \ NLOHMANN_JSON_PASTE48, \ NLOHMANN_JSON_PASTE47, \ NLOHMANN_JSON_PASTE46, \ NLOHMANN_JSON_PASTE45, \ NLOHMANN_JSON_PASTE44, \ NLOHMANN_JSON_PASTE43, \ NLOHMANN_JSON_PASTE42, \ NLOHMANN_JSON_PASTE41, \ NLOHMANN_JSON_PASTE40, \ NLOHMANN_JSON_PASTE39, \ NLOHMANN_JSON_PASTE38, \ NLOHMANN_JSON_PASTE37, \ NLOHMANN_JSON_PASTE36, \ NLOHMANN_JSON_PASTE35, \ NLOHMANN_JSON_PASTE34, \ NLOHMANN_JSON_PASTE33, \ NLOHMANN_JSON_PASTE32, \ NLOHMANN_JSON_PASTE31, \ NLOHMANN_JSON_PASTE30, \ NLOHMANN_JSON_PASTE29, \ NLOHMANN_JSON_PASTE28, \ NLOHMANN_JSON_PASTE27, \ NLOHMANN_JSON_PASTE26, \ NLOHMANN_JSON_PASTE25, \ NLOHMANN_JSON_PASTE24, \ NLOHMANN_JSON_PASTE23, \ NLOHMANN_JSON_PASTE22, \ NLOHMANN_JSON_PASTE21, \ NLOHMANN_JSON_PASTE20, \ NLOHMANN_JSON_PASTE19, \ NLOHMANN_JSON_PASTE18, \ NLOHMANN_JSON_PASTE17, \ NLOHMANN_JSON_PASTE16, \ NLOHMANN_JSON_PASTE15, \ NLOHMANN_JSON_PASTE14, \ NLOHMANN_JSON_PASTE13, \ NLOHMANN_JSON_PASTE12, \ NLOHMANN_JSON_PASTE11, \ NLOHMANN_JSON_PASTE10, \ NLOHMANN_JSON_PASTE9, \ NLOHMANN_JSON_PASTE8, \ NLOHMANN_JSON_PASTE7, \ NLOHMANN_JSON_PASTE6, \ NLOHMANN_JSON_PASTE5, \ NLOHMANN_JSON_PASTE4, \ NLOHMANN_JSON_PASTE3, \ NLOHMANN_JSON_PASTE2, \ NLOHMANN_JSON_PASTE1)(__VA_ARGS__)) #define NLOHMANN_JSON_PASTE2(func, v1) func(v1) #define NLOHMANN_JSON_PASTE3(func, v1, v2) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE2(func, v2) #define NLOHMANN_JSON_PASTE4(func, v1, v2, v3) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE3(func, v2, v3) #define NLOHMANN_JSON_PASTE5(func, v1, v2, v3, v4) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE4(func, v2, v3, v4) #define NLOHMANN_JSON_PASTE6(func, v1, v2, v3, v4, v5) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE5(func, v2, v3, v4, v5) #define NLOHMANN_JSON_PASTE7(func, v1, v2, v3, v4, v5, v6) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE6(func, v2, v3, v4, v5, v6) #define NLOHMANN_JSON_PASTE8(func, v1, v2, v3, v4, v5, v6, v7) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE7(func, v2, v3, v4, v5, v6, v7) #define NLOHMANN_JSON_PASTE9(func, v1, v2, v3, v4, v5, v6, v7, v8) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE8(func, v2, v3, v4, v5, v6, v7, v8) #define NLOHMANN_JSON_PASTE10(func, v1, v2, v3, v4, v5, v6, v7, v8, v9) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE9(func, v2, v3, v4, v5, v6, v7, v8, v9) #define NLOHMANN_JSON_PASTE11(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE10(func, v2, v3, v4, v5, v6, v7, v8, v9, v10) #define NLOHMANN_JSON_PASTE12(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE11(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11) #define NLOHMANN_JSON_PASTE13(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE12(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12) #define NLOHMANN_JSON_PASTE14(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE13(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13) #define NLOHMANN_JSON_PASTE15(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE14(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14) #define NLOHMANN_JSON_PASTE16(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE15(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15) #define NLOHMANN_JSON_PASTE17(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE16(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16) #define NLOHMANN_JSON_PASTE18(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE17(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17) #define NLOHMANN_JSON_PASTE19(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE18(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18) #define NLOHMANN_JSON_PASTE20(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE19(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19) #define NLOHMANN_JSON_PASTE21(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE20(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20) #define NLOHMANN_JSON_PASTE22(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE21(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21) #define NLOHMANN_JSON_PASTE23(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE22(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22) #define NLOHMANN_JSON_PASTE24(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE23(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23) #define NLOHMANN_JSON_PASTE25(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE24(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24) #define NLOHMANN_JSON_PASTE26(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE25(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25) #define NLOHMANN_JSON_PASTE27(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE26(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26) #define NLOHMANN_JSON_PASTE28(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE27(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27) #define NLOHMANN_JSON_PASTE29(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE28(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28) #define NLOHMANN_JSON_PASTE30(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE29(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29) #define NLOHMANN_JSON_PASTE31(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE30(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30) #define NLOHMANN_JSON_PASTE32(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE31(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31) #define NLOHMANN_JSON_PASTE33(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE32(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32) #define NLOHMANN_JSON_PASTE34(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE33(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33) #define NLOHMANN_JSON_PASTE35(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE34(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34) #define NLOHMANN_JSON_PASTE36(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE35(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35) #define NLOHMANN_JSON_PASTE37(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE36(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36) #define NLOHMANN_JSON_PASTE38(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE37(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37) #define NLOHMANN_JSON_PASTE39(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE38(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38) #define NLOHMANN_JSON_PASTE40(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE39(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39) #define NLOHMANN_JSON_PASTE41(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE40(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40) #define NLOHMANN_JSON_PASTE42(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE41(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41) #define NLOHMANN_JSON_PASTE43(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE42(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42) #define NLOHMANN_JSON_PASTE44(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE43(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43) #define NLOHMANN_JSON_PASTE45(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE44(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44) #define NLOHMANN_JSON_PASTE46(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE45(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45) #define NLOHMANN_JSON_PASTE47(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE46(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46) #define NLOHMANN_JSON_PASTE48(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE47(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47) #define NLOHMANN_JSON_PASTE49(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE48(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48) #define NLOHMANN_JSON_PASTE50(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE49(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49) #define NLOHMANN_JSON_PASTE51(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE50(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50) #define NLOHMANN_JSON_PASTE52(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE51(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51) #define NLOHMANN_JSON_PASTE53(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE52(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52) #define NLOHMANN_JSON_PASTE54(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE53(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53) #define NLOHMANN_JSON_PASTE55(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE54(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54) #define NLOHMANN_JSON_PASTE56(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE55(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55) #define NLOHMANN_JSON_PASTE57(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE56(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56) #define NLOHMANN_JSON_PASTE58(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE57(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57) #define NLOHMANN_JSON_PASTE59(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE58(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58) #define NLOHMANN_JSON_PASTE60(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE59(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59) #define NLOHMANN_JSON_PASTE61(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE60(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60) #define NLOHMANN_JSON_PASTE62(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60, v61) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE61(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60, v61) #define NLOHMANN_JSON_PASTE63(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60, v61, v62) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE62(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60, v61, v62) #define NLOHMANN_JSON_PASTE64(func, v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60, v61, v62, v63) NLOHMANN_JSON_PASTE2(func, v1) NLOHMANN_JSON_PASTE63(func, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49, v50, v51, v52, v53, v54, v55, v56, v57, v58, v59, v60, v61, v62, v63) #define NLOHMANN_JSON_TO(v1) nlohmann_json_j[#v1] = nlohmann_json_t.v1; #define NLOHMANN_JSON_FROM(v1) nlohmann_json_j.at(#v1).get_to(nlohmann_json_t.v1); #define NLOHMANN_JSON_FROM_WITH_DEFAULT(v1) nlohmann_json_t.v1 = nlohmann_json_j.value(#v1, nlohmann_json_default_obj.v1); /*! @brief macro @def NLOHMANN_DEFINE_TYPE_INTRUSIVE @since version 3.9.0 */ #define NLOHMANN_DEFINE_TYPE_INTRUSIVE(Type, ...) \ friend void to_json(nlohmann::json& nlohmann_json_j, const Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_TO, __VA_ARGS__)) } \ friend void from_json(const nlohmann::json& nlohmann_json_j, Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_FROM, __VA_ARGS__)) } #define NLOHMANN_DEFINE_TYPE_INTRUSIVE_WITH_DEFAULT(Type, ...) \ friend void to_json(nlohmann::json& nlohmann_json_j, const Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_TO, __VA_ARGS__)) } \ friend void from_json(const nlohmann::json& nlohmann_json_j, Type& nlohmann_json_t) { const Type nlohmann_json_default_obj{}; NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_FROM_WITH_DEFAULT, __VA_ARGS__)) } #define NLOHMANN_DEFINE_TYPE_INTRUSIVE_ONLY_SERIALIZE(Type, ...) \ friend void to_json(nlohmann::json& nlohmann_json_j, const Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_TO, __VA_ARGS__)) } /*! @brief macro @def NLOHMANN_DEFINE_TYPE_NON_INTRUSIVE @since version 3.9.0 */ #define NLOHMANN_DEFINE_TYPE_NON_INTRUSIVE(Type, ...) \ inline void to_json(nlohmann::json& nlohmann_json_j, const Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_TO, __VA_ARGS__)) } \ inline void from_json(const nlohmann::json& nlohmann_json_j, Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_FROM, __VA_ARGS__)) } #define NLOHMANN_DEFINE_TYPE_NON_INTRUSIVE_ONLY_SERIALIZE(Type, ...) \ inline void to_json(nlohmann::json& nlohmann_json_j, const Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_TO, __VA_ARGS__)) } #define NLOHMANN_DEFINE_TYPE_NON_INTRUSIVE_WITH_DEFAULT(Type, ...) \ inline void to_json(nlohmann::json& nlohmann_json_j, const Type& nlohmann_json_t) { NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_TO, __VA_ARGS__)) } \ inline void from_json(const nlohmann::json& nlohmann_json_j, Type& nlohmann_json_t) { const Type nlohmann_json_default_obj{}; NLOHMANN_JSON_EXPAND(NLOHMANN_JSON_PASTE(NLOHMANN_JSON_FROM_WITH_DEFAULT, __VA_ARGS__)) } // inspired from https://stackoverflow.com/a/26745591 // allows to call any std function as if (e.g. with begin): // using std::begin; begin(x); // // it allows using the detected idiom to retrieve the return type // of such an expression #define NLOHMANN_CAN_CALL_STD_FUNC_IMPL(std_name) \ namespace detail { \ using std::std_name; \ \ template \ using result_of_##std_name = decltype(std_name(std::declval()...)); \ } \ \ namespace detail2 { \ struct std_name##_tag \ { \ }; \ \ template \ std_name##_tag std_name(T&&...); \ \ template \ using result_of_##std_name = decltype(std_name(std::declval()...)); \ \ template \ struct would_call_std_##std_name \ { \ static constexpr auto const value = ::nlohmann::detail:: \ is_detected_exact::value; \ }; \ } /* namespace detail2 */ \ \ template \ struct would_call_std_##std_name : detail2::would_call_std_##std_name \ { \ } #ifndef JSON_USE_IMPLICIT_CONVERSIONS #define JSON_USE_IMPLICIT_CONVERSIONS 1 #endif #if JSON_USE_IMPLICIT_CONVERSIONS #define JSON_EXPLICIT #else #define JSON_EXPLICIT explicit #endif #ifndef JSON_DISABLE_ENUM_SERIALIZATION #define JSON_DISABLE_ENUM_SERIALIZATION 0 #endif #ifndef JSON_USE_GLOBAL_UDLS #define JSON_USE_GLOBAL_UDLS 1 #endif OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/macro_unscope.hpp000066400000000000000000000023441516317240700303110ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once // restore clang diagnostic settings #if defined(__clang__) #pragma clang diagnostic pop #endif // clean up #undef JSON_ASSERT #undef JSON_INTERNAL_CATCH #undef JSON_THROW #undef JSON_PRIVATE_UNLESS_TESTED #undef NLOHMANN_BASIC_JSON_TPL_DECLARATION #undef NLOHMANN_BASIC_JSON_TPL #undef JSON_EXPLICIT #undef NLOHMANN_CAN_CALL_STD_FUNC_IMPL #undef JSON_INLINE_VARIABLE #undef JSON_NO_UNIQUE_ADDRESS #undef JSON_DISABLE_ENUM_SERIALIZATION #undef JSON_USE_GLOBAL_UDLS #ifndef JSON_TEST_KEEP_MACROS #undef JSON_CATCH #undef JSON_TRY #undef JSON_HAS_CPP_11 #undef JSON_HAS_CPP_14 #undef JSON_HAS_CPP_17 #undef JSON_HAS_CPP_20 #undef JSON_HAS_FILESYSTEM #undef JSON_HAS_EXPERIMENTAL_FILESYSTEM #undef JSON_HAS_THREE_WAY_COMPARISON #undef JSON_HAS_RANGES #undef JSON_HAS_STATIC_RTTI #undef JSON_USE_LEGACY_DISCARDED_VALUE_COMPARISON #endif #include OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/000077500000000000000000000000001516317240700256665ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/call_std/000077500000000000000000000000001516317240700274535ustar00rootroot00000000000000OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/call_std/begin.hpp000066400000000000000000000007051516317240700312520ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include NLOHMANN_JSON_NAMESPACE_BEGIN NLOHMANN_CAN_CALL_STD_FUNC_IMPL(begin); NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/call_std/end.hpp000066400000000000000000000007031516317240700307320ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include NLOHMANN_JSON_NAMESPACE_BEGIN NLOHMANN_CAN_CALL_STD_FUNC_IMPL(end); NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/cpp_future.hpp000066400000000000000000000120721516317240700305550ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-FileCopyrightText: 2018 The Abseil Authors // SPDX-License-Identifier: MIT #pragma once #include // array #include // size_t #include // conditional, enable_if, false_type, integral_constant, is_constructible, is_integral, is_same, remove_cv, remove_reference, true_type #include // index_sequence, make_index_sequence, index_sequence_for #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { template using uncvref_t = typename std::remove_cv::type>::type; #ifdef JSON_HAS_CPP_14 // the following utilities are natively available in C++14 using std::enable_if_t; using std::index_sequence; using std::make_index_sequence; using std::index_sequence_for; #else // alias templates to reduce boilerplate template using enable_if_t = typename std::enable_if::type; // The following code is taken from https://github.com/abseil/abseil-cpp/blob/10cb35e459f5ecca5b2ff107635da0bfa41011b4/absl/utility/utility.h // which is part of Google Abseil (https://github.com/abseil/abseil-cpp), licensed under the Apache License 2.0. //// START OF CODE FROM GOOGLE ABSEIL // integer_sequence // // Class template representing a compile-time integer sequence. An instantiation // of `integer_sequence` has a sequence of integers encoded in its // type through its template arguments (which is a common need when // working with C++11 variadic templates). `absl::integer_sequence` is designed // to be a drop-in replacement for C++14's `std::integer_sequence`. // // Example: // // template< class T, T... Ints > // void user_function(integer_sequence); // // int main() // { // // user_function's `T` will be deduced to `int` and `Ints...` // // will be deduced to `0, 1, 2, 3, 4`. // user_function(make_integer_sequence()); // } template struct integer_sequence { using value_type = T; static constexpr std::size_t size() noexcept { return sizeof...(Ints); } }; // index_sequence // // A helper template for an `integer_sequence` of `size_t`, // `absl::index_sequence` is designed to be a drop-in replacement for C++14's // `std::index_sequence`. template using index_sequence = integer_sequence; namespace utility_internal { template struct Extend; // Note that SeqSize == sizeof...(Ints). It's passed explicitly for efficiency. template struct Extend, SeqSize, 0> { using type = integer_sequence < T, Ints..., (Ints + SeqSize)... >; }; template struct Extend, SeqSize, 1> { using type = integer_sequence < T, Ints..., (Ints + SeqSize)..., 2 * SeqSize >; }; // Recursion helper for 'make_integer_sequence'. // 'Gen::type' is an alias for 'integer_sequence'. template struct Gen { using type = typename Extend < typename Gen < T, N / 2 >::type, N / 2, N % 2 >::type; }; template struct Gen { using type = integer_sequence; }; } // namespace utility_internal // Compile-time sequences of integers // make_integer_sequence // // This template alias is equivalent to // `integer_sequence`, and is designed to be a drop-in // replacement for C++14's `std::make_integer_sequence`. template using make_integer_sequence = typename utility_internal::Gen::type; // make_index_sequence // // This template alias is equivalent to `index_sequence<0, 1, ..., N-1>`, // and is designed to be a drop-in replacement for C++14's // `std::make_index_sequence`. template using make_index_sequence = make_integer_sequence; // index_sequence_for // // Converts a typename pack into an index sequence of the same length, and // is designed to be a drop-in replacement for C++14's // `std::index_sequence_for()` template using index_sequence_for = make_index_sequence; //// END OF CODE FROM GOOGLE ABSEIL #endif // dispatch utility (taken from ranges-v3) template struct priority_tag : priority_tag < N - 1 > {}; template<> struct priority_tag<0> {}; // taken from ranges-v3 template struct static_const { static JSON_INLINE_VARIABLE constexpr T value{}; }; #ifndef JSON_HAS_CPP_17 template constexpr T static_const::value; #endif template inline constexpr std::array make_array(Args&& ... args) { return std::array {{static_cast(std::forward(args))...}}; } } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/detected.hpp000066400000000000000000000040751516317240700301660ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { // https://en.cppreference.com/w/cpp/experimental/is_detected struct nonesuch { nonesuch() = delete; ~nonesuch() = delete; nonesuch(nonesuch const&) = delete; nonesuch(nonesuch const&&) = delete; void operator=(nonesuch const&) = delete; void operator=(nonesuch&&) = delete; }; template class Op, class... Args> struct detector { using value_t = std::false_type; using type = Default; }; template class Op, class... Args> struct detector>, Op, Args...> { using value_t = std::true_type; using type = Op; }; template class Op, class... Args> using is_detected = typename detector::value_t; template class Op, class... Args> struct is_detected_lazy : is_detected { }; template class Op, class... Args> using detected_t = typename detector::type; template class Op, class... Args> using detected_or = detector; template class Op, class... Args> using detected_or_t = typename detected_or::type; template class Op, class... Args> using is_detected_exact = std::is_same>; template class Op, class... Args> using is_detected_convertible = std::is_convertible, To>; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/identity_tag.hpp000066400000000000000000000010161516317240700310610ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { // dispatching helper struct template struct identity_tag {}; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/is_sax.hpp000066400000000000000000000154601516317240700276730ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // size_t #include // declval #include // string #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { template using null_function_t = decltype(std::declval().null()); template using boolean_function_t = decltype(std::declval().boolean(std::declval())); template using number_integer_function_t = decltype(std::declval().number_integer(std::declval())); template using number_unsigned_function_t = decltype(std::declval().number_unsigned(std::declval())); template using number_float_function_t = decltype(std::declval().number_float( std::declval(), std::declval())); template using string_function_t = decltype(std::declval().string(std::declval())); template using binary_function_t = decltype(std::declval().binary(std::declval())); template using start_object_function_t = decltype(std::declval().start_object(std::declval())); template using key_function_t = decltype(std::declval().key(std::declval())); template using end_object_function_t = decltype(std::declval().end_object()); template using start_array_function_t = decltype(std::declval().start_array(std::declval())); template using end_array_function_t = decltype(std::declval().end_array()); template using parse_error_function_t = decltype(std::declval().parse_error( std::declval(), std::declval(), std::declval())); template struct is_sax { private: static_assert(is_basic_json::value, "BasicJsonType must be of type basic_json<...>"); using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; using exception_t = typename BasicJsonType::exception; public: static constexpr bool value = is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value && is_detected_exact::value; }; template struct is_sax_static_asserts { private: static_assert(is_basic_json::value, "BasicJsonType must be of type basic_json<...>"); using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using binary_t = typename BasicJsonType::binary_t; using exception_t = typename BasicJsonType::exception; public: static_assert(is_detected_exact::value, "Missing/invalid function: bool null()"); static_assert(is_detected_exact::value, "Missing/invalid function: bool boolean(bool)"); static_assert(is_detected_exact::value, "Missing/invalid function: bool boolean(bool)"); static_assert( is_detected_exact::value, "Missing/invalid function: bool number_integer(number_integer_t)"); static_assert( is_detected_exact::value, "Missing/invalid function: bool number_unsigned(number_unsigned_t)"); static_assert(is_detected_exact::value, "Missing/invalid function: bool number_float(number_float_t, const string_t&)"); static_assert( is_detected_exact::value, "Missing/invalid function: bool string(string_t&)"); static_assert( is_detected_exact::value, "Missing/invalid function: bool binary(binary_t&)"); static_assert(is_detected_exact::value, "Missing/invalid function: bool start_object(std::size_t)"); static_assert(is_detected_exact::value, "Missing/invalid function: bool key(string_t&)"); static_assert(is_detected_exact::value, "Missing/invalid function: bool end_object()"); static_assert(is_detected_exact::value, "Missing/invalid function: bool start_array(std::size_t)"); static_assert(is_detected_exact::value, "Missing/invalid function: bool end_array()"); static_assert( is_detected_exact::value, "Missing/invalid function: bool parse_error(std::size_t, const " "std::string&, const exception&)"); }; } // namespace detail NLOHMANN_JSON_NAMESPACE_END OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/std_fs.hpp000066400000000000000000000013761516317240700276700ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include #if JSON_HAS_EXPERIMENTAL_FILESYSTEM #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { namespace std_fs = std::experimental::filesystem; } // namespace detail NLOHMANN_JSON_NAMESPACE_END #elif JSON_HAS_FILESYSTEM #include NLOHMANN_JSON_NAMESPACE_BEGIN namespace detail { namespace std_fs = std::filesystem; } // namespace detail NLOHMANN_JSON_NAMESPACE_END #endif OpenChemistry-avogadrolibs-ceb949f/thirdparty/nlohmann/detail/meta/type_traits.hpp000066400000000000000000000714161516317240700307570ustar00rootroot00000000000000// __ _____ _____ _____ // __| | __| | | | JSON for Modern C++ // | | |__ | | | | | | version 3.11.3 // |_____|_____|_____|_|___| https://github.com/nlohmann/json // // SPDX-FileCopyrightText: 2013-2023 Niels Lohmann // SPDX-License-Identifier: MIT #pragma once #include // numeric_limits #include // false_type, is_constructible, is_integral, is_same, true_type #include // declval #include // tuple #include // char_traits #include #include #include #include #include #include #include NLOHMANN_JSON_NAMESPACE_BEGIN /*! @brief detail namespace with internal helper functions This namespace collects functions that should not be exposed, implementations of some @ref basic_json methods, and meta-programming helpers. @since version 2.1.0 */ namespace detail { ///////////// // helpers // ///////////// // Note to maintainers: // // Every trait in this file expects a non CV-qualified type. // The only exceptions are in the 'aliases for detected' section // (i.e. those of the form: decltype(T::member_function(std::declval()))) // // In this case, T has to be properly CV-qualified to constraint the function arguments // (e.g. to_json(BasicJsonType&, const T&)) template struct is_basic_json : std::false_type {}; NLOHMANN_BASIC_JSON_TPL_DECLARATION struct is_basic_json : std::true_type {}; // used by exceptions create() member functions // true_type for pointer to possibly cv-qualified basic_json or std::nullptr_t // false_type otherwise template struct is_basic_json_context : std::integral_constant < bool, is_basic_json::type>::type>::value || std::is_same::value > {}; ////////////////////// // json_ref helpers // ////////////////////// template class json_ref; template struct is_json_ref : std::false_type {}; template struct is_json_ref> : std::true_type {}; ////////////////////////// // aliases for detected // ////////////////////////// template using mapped_type_t = typename T::mapped_type; template using key_type_t = typename T::key_type; template using value_type_t = typename T::value_type; template using difference_type_t = typename T::difference_type; template using pointer_t = typename T::pointer; template using reference_t = typename T::reference; template using iterator_category_t = typename T::iterator_category; template using to_json_function = decltype(T::to_json(std::declval()...)); template using from_json_function = decltype(T::from_json(std::declval()...)); template using get_template_function = decltype(std::declval().template get()); // trait checking if JSONSerializer::from_json(json const&, udt&) exists template struct has_from_json : std::false_type {}; // trait checking if j.get is valid // use this trait instead of std::is_constructible or std::is_convertible, // both rely on, or make use of implicit conversions, and thus fail when T // has several constructors/operator= (see https://github.com/nlohmann/json/issues/958) template struct is_getable { static constexpr bool value = is_detected::value; }; template struct has_from_json < BasicJsonType, T, enable_if_t < !is_basic_json::value >> { using serializer = typename BasicJsonType::template json_serializer; static constexpr bool value = is_detected_exact::value; }; // This trait checks if JSONSerializer::from_json(json const&) exists // this overload is used for non-default-constructible user-defined-types template struct has_non_default_from_json : std::false_type {}; template struct has_non_default_from_json < BasicJsonType, T, enable_if_t < !is_basic_json::value >> { using serializer = typename BasicJsonType::template json_serializer; static constexpr bool value = is_detected_exact::value; }; // This trait checks if BasicJsonType::json_serializer::to_json exists // Do not evaluate the trait when T is a basic_json type, to avoid template instantiation infinite recursion. template struct has_to_json : std::false_type {}; template struct has_to_json < BasicJsonType, T, enable_if_t < !is_basic_json::value >> { using serializer = typename BasicJsonType::template json_serializer; static constexpr bool value = is_detected_exact::value; }; template using detect_key_compare = typename T::key_compare; template struct has_key_compare : std::integral_constant::value> {}; // obtains the actual object key comparator template struct actual_object_comparator { using object_t = typename BasicJsonType::object_t; using object_comparator_t = typename BasicJsonType::default_object_comparator_t; using type = typename std::conditional < has_key_compare::value, typename object_t::key_compare, object_comparator_t>::type; }; template using actual_object_comparator_t = typename actual_object_comparator::type; ///////////////// // char_traits // ///////////////// // Primary template of char_traits calls std char_traits template struct char_traits : std::char_traits {}; // Explicitly define char traits for unsigned char since it is not standard template<> struct char_traits : std::char_traits { using char_type = unsigned char; using int_type = uint64_t; // Redefine to_int_type function static int_type to_int_type(char_type c) noexcept { return static_cast(c); } static char_type to_char_type(int_type i) noexcept { return static_cast(i); } static constexpr int_type eof() noexcept { return static_cast(EOF); } }; // Explicitly define char traits for signed char since it is not standard template<> struct char_traits : std::char_traits { using char_type = signed char; using int_type = uint64_t; // Redefine to_int_type function static int_type to_int_type(char_type c) noexcept { return static_cast(c); } static char_type to_char_type(int_type i) noexcept { return static_cast(i); } static constexpr int_type eof() noexcept { return static_cast(EOF); } }; /////////////////// // is_ functions // /////////////////// // https://en.cppreference.com/w/cpp/types/conjunction template struct conjunction : std::true_type { }; template struct conjunction : B { }; template struct conjunction : std::conditional(B::value), conjunction, B>::type {}; // https://en.cppreference.com/w/cpp/types/negation template struct negation : std::integral_constant < bool, !B::value > { }; // Reimplementation of is_constructible and is_default_constructible, due to them being broken for // std::pair and std::tuple until LWG 2367 fix (see https://cplusplus.github.io/LWG/lwg-defects.html#2367). // This causes compile errors in e.g. clang 3.5 or gcc 4.9. template struct is_default_constructible : std::is_default_constructible {}; template struct is_default_constructible> : conjunction, is_default_constructible> {}; template struct is_default_constructible> : conjunction, is_default_constructible> {}; template struct is_default_constructible> : conjunction...> {}; template struct is_default_constructible> : conjunction...> {}; template struct is_constructible : std::is_constructible {}; template struct is_constructible> : is_default_constructible> {}; template struct is_constructible> : is_default_constructible> {}; template struct is_constructible> : is_default_constructible> {}; template struct is_constructible> : is_default_constructible> {}; template struct is_iterator_traits : std::false_type {}; template struct is_iterator_traits> { private: using traits = iterator_traits; public: static constexpr auto value = is_detected::value && is_detected::value && is_detected::value && is_detected::value && is_detected::value; }; template struct is_range { private: using t_ref = typename std::add_lvalue_reference::type; using iterator = detected_t; using sentinel = detected_t; // to be 100% correct, it should use https://en.cppreference.com/w/cpp/iterator/input_or_output_iterator // and https://en.cppreference.com/w/cpp/iterator/sentinel_for // but reimplementing these would be too much work, as a lot of other concepts are used underneath static constexpr auto is_iterator_begin = is_iterator_traits>::value; public: static constexpr bool value = !std::is_same::value && !std::is_same::value && is_iterator_begin; }; template using iterator_t = enable_if_t::value, result_of_begin())>>; template using range_value_t = value_type_t>>; // The following implementation of is_complete_type is taken from // https://blogs.msdn.microsoft.com/vcblog/2015/12/02/partial-support-for-expression-sfinae-in-vs-2015-update-1/ // and is written by Xiang Fan who agreed to using it in this library. template struct is_complete_type : std::false_type {}; template struct is_complete_type : std::true_type {}; template struct is_compatible_object_type_impl : std::false_type {}; template struct is_compatible_object_type_impl < BasicJsonType, CompatibleObjectType, enable_if_t < is_detected::value&& is_detected::value >> { using object_t = typename BasicJsonType::object_t; // macOS's is_constructible does not play well with nonesuch... static constexpr bool value = is_constructible::value && is_constructible::value; }; template struct is_compatible_object_type : is_compatible_object_type_impl {}; template struct is_constructible_object_type_impl : std::false_type {}; template struct is_constructible_object_type_impl < BasicJsonType, ConstructibleObjectType, enable_if_t < is_detected::value&& is_detected::value >> { using object_t = typename BasicJsonType::object_t; static constexpr bool value = (is_default_constructible::value && (std::is_move_assignable::value || std::is_copy_assignable::value) && (is_constructible::value && std::is_same < typename object_t::mapped_type, typename ConstructibleObjectType::mapped_type >::value)) || (has_from_json::value || has_non_default_from_json < BasicJsonType, typename ConstructibleObjectType::mapped_type >::value); }; template struct is_constructible_object_type : is_constructible_object_type_impl {}; template struct is_compatible_string_type { static constexpr auto value = is_constructible::value; }; template struct is_constructible_string_type { // launder type through decltype() to fix compilation failure on ICPC #ifdef __INTEL_COMPILER using laundered_type = decltype(std::declval()); #else using laundered_type = ConstructibleStringType; #endif static constexpr auto value = conjunction < is_constructible, is_detected_exact>::value; }; template struct is_compatible_array_type_impl : std::false_type {}; template struct is_compatible_array_type_impl < BasicJsonType, CompatibleArrayType, enable_if_t < is_detected::value&& is_iterator_traits>>::value&& // special case for types like std::filesystem::path whose iterator's value_type are themselves // c.f. https://github.com/nlohmann/json/pull/3073 !std::is_same>::value >> { static constexpr bool value = is_constructible>::value; }; template struct is_compatible_array_type : is_compatible_array_type_impl {}; template struct is_constructible_array_type_impl : std::false_type {}; template struct is_constructible_array_type_impl < BasicJsonType, ConstructibleArrayType, enable_if_t::value >> : std::true_type {}; template struct is_constructible_array_type_impl < BasicJsonType, ConstructibleArrayType, enable_if_t < !std::is_same::value&& !is_compatible_string_type::value&& is_default_constructible::value&& (std::is_move_assignable::value || std::is_copy_assignable::value)&& is_detected::value&& is_iterator_traits>>::value&& is_detected::value&& // special case for types like std::filesystem::path whose iterator's value_type are themselves // c.f. https://github.com/nlohmann/json/pull/3073 !std::is_same>::value&& is_complete_type < detected_t>::value >> { using value_type = range_value_t; static constexpr bool value = std::is_same::value || has_from_json::value || has_non_default_from_json < BasicJsonType, value_type >::value; }; template struct is_constructible_array_type : is_constructible_array_type_impl {}; template struct is_compatible_integer_type_impl : std::false_type {}; template struct is_compatible_integer_type_impl < RealIntegerType, CompatibleNumberIntegerType, enable_if_t < std::is_integral::value&& std::is_integral::value&& !std::is_same::value >> { // is there an assert somewhere on overflows? using RealLimits = std::numeric_limits; using CompatibleLimits = std::numeric_limits; static constexpr auto value = is_constructible::value && CompatibleLimits::is_integer && RealLimits::is_signed == CompatibleLimits::is_signed; }; template struct is_compatible_integer_type : is_compatible_integer_type_impl {}; template struct is_compatible_type_impl: std::false_type {}; template struct is_compatible_type_impl < BasicJsonType, CompatibleType, enable_if_t::value >> { static constexpr bool value = has_to_json::value; }; template struct is_compatible_type : is_compatible_type_impl {}; template struct is_constructible_tuple : std::false_type {}; template struct is_constructible_tuple> : conjunction...> {}; template struct is_json_iterator_of : std::false_type {}; template struct is_json_iterator_of : std::true_type {}; template struct is_json_iterator_of : std::true_type {}; // checks if a given type T is a template specialization of Primary template